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GGAERM Cc1cccc(F)c1S(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)s1 ZINC000547592648 567228946 /nfs/dbraw/zinc/22/89/46/567228946.db2.gz HBMQAGCUGNTGLX-UHFFFAOYSA-N -1 0 377.846 3.125 10 0 GGAERM Cc1cc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2ccc(F)cc2F)c(C)s1 ZINC000547593029 567229069 /nfs/dbraw/zinc/22/90/69/567229069.db2.gz MXSIBUTWXKVPPD-AWEZNQCLSA-N -1 0 375.418 3.090 10 0 GGAERM CCCCCNC(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)[O-] ZINC000684710634 567230161 /nfs/dbraw/zinc/23/01/61/567230161.db2.gz QLWQDZCRTSHXJS-AWEZNQCLSA-N -1 0 396.285 3.416 10 0 GGAERM O=C([O-])CN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccccc1Cl ZINC000547601358 567230269 /nfs/dbraw/zinc/23/02/69/567230269.db2.gz FDUPFBZNFLDISM-UHFFFAOYSA-N -1 0 394.301 3.472 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1 ZINC000547609476 567230443 /nfs/dbraw/zinc/23/04/43/567230443.db2.gz KCEZNPZEZHTDOZ-NSHDSACASA-N -1 0 383.344 3.010 10 0 GGAERM COC(=O)c1cccc(Cc2cnc([N-]S(=O)(=O)CCCCF)s2)c1 ZINC000567272536 567231190 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COc1cc(F)c(S(=O)(=O)NCc2cc(F)c(Cl)cc2F)cc1OC ZINC000433444764 567251362 /nfs/dbraw/zinc/25/13/62/567251362.db2.gz SZNYMWZZDYLBOT-UHFFFAOYSA-N -1 0 395.786 3.253 10 0 GGAERM O=C([O-])c1cc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)ccc1F ZINC000547868962 567251572 /nfs/dbraw/zinc/25/15/72/567251572.db2.gz CGGDGCSNGBBTNC-UHFFFAOYSA-N -1 0 377.315 3.485 10 0 GGAERM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccsc1 ZINC000547868675 567251636 /nfs/dbraw/zinc/25/16/36/567251636.db2.gz CQQGTOGIMZUHJR-NSHDSACASA-N -1 0 397.371 3.400 10 0 GGAERM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccsc1 ZINC000547869015 567251677 /nfs/dbraw/zinc/25/16/77/567251677.db2.gz GUOPINCJDGLRKK-LBPRGKRZSA-N -1 0 390.280 3.005 10 0 GGAERM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)c(F)c1Cl ZINC000660044556 567251899 /nfs/dbraw/zinc/25/18/99/567251899.db2.gz OIZGGVXXOZCEQE-UHFFFAOYSA-N -1 0 392.855 3.434 10 0 GGAERM CCOC(=O)c1cccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])c1 ZINC000547868901 567252218 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CC(C)c1nc([N-]S(=O)(=O)c2c(Cl)cccc2Br)no1 ZINC000548990228 567365783 /nfs/dbraw/zinc/36/57/83/567365783.db2.gz CWCKNNXOXNFLFY-UHFFFAOYSA-N -1 0 380.651 3.410 10 0 GGAERM CC[C@@H](Cc1ccccc1Br)N(C)C(=O)N=c1[n-]nc(OC)s1 ZINC000548997086 567368307 /nfs/dbraw/zinc/36/83/07/567368307.db2.gz PMHPJBYSFIYGTO-NSHDSACASA-N -1 0 399.314 3.216 10 0 GGAERM CCCc1cc(C(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)n[nH]1 ZINC000618346774 567375931 /nfs/dbraw/zinc/37/59/31/567375931.db2.gz FQWOKPLNFBHXKT-UHFFFAOYSA-N -1 0 377.470 3.319 10 0 GGAERM C[C@H]1CCN(Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C(=O)[O-] ZINC000569101786 567379608 /nfs/dbraw/zinc/37/96/08/567379608.db2.gz DKAPPXGEERJGPU-DTWKUNHWSA-N -1 0 386.271 3.103 10 0 GGAERM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N=c1cc(-c2nccn2C)[n-][nH]1 ZINC000435712387 567384284 /nfs/dbraw/zinc/38/42/84/567384284.db2.gz ATZJEMODGHADRK-JTQLQIEISA-N -1 0 378.263 3.356 10 0 GGAERM CC1(C)COC[C@@H]1NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC000456548293 567390099 /nfs/dbraw/zinc/39/00/99/567390099.db2.gz 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O=C([O-])[C@@H](Cc1ccccn1)NC(=O)Nc1ccc(Br)cc1Cl ZINC000569887508 567440974 /nfs/dbraw/zinc/44/09/74/567440974.db2.gz ZYBUUXHHKBRNAT-CYBMUJFWSA-N -1 0 398.644 3.315 10 0 GGAERM C[C@@H]1C[C@@H](NC(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)CS1 ZINC000569911145 567443753 /nfs/dbraw/zinc/44/37/53/567443753.db2.gz PQSXDZKKQUNFNN-BXKDBHETSA-N -1 0 384.527 3.407 10 0 GGAERM COC(=O)CCSc1ncccc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436709718 567443824 /nfs/dbraw/zinc/44/38/24/567443824.db2.gz ZDIQFXNNWLTWBI-UHFFFAOYSA-N -1 0 384.816 3.487 10 0 GGAERM C[C@H]1C[C@@H](NC(=O)N=c2[n-]nc(SCc3ccc(F)cc3)s2)CS1 ZINC000569911147 567443799 /nfs/dbraw/zinc/44/37/99/567443799.db2.gz PQSXDZKKQUNFNN-JOYOIKCWSA-N -1 0 384.527 3.407 10 0 GGAERM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000478262862 567444435 /nfs/dbraw/zinc/44/44/35/567444435.db2.gz ZRHRNOLTIFIVMT-GWCFXTLKSA-N -1 0 379.400 3.299 10 0 GGAERM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)[C@H]2C)c(C)c1C(=O)[O-] ZINC000478259202 567444684 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397.802 3.377 10 0 GGAERM O=C([O-])[C@@H]1N(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC12CCCC2 ZINC000656527488 566910608 /nfs/dbraw/zinc/91/06/08/566910608.db2.gz ZTTJPZSTOOGFCF-LBPRGKRZSA-N -1 0 397.802 3.377 10 0 GGAERM O=C(CCCc1ccc(Br)s1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000563713770 566911676 /nfs/dbraw/zinc/91/16/76/566911676.db2.gz FXVKAUOYFAFNSY-UHFFFAOYSA-N -1 0 399.314 3.063 10 0 GGAERM CC(C)(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000491645830 566913531 /nfs/dbraw/zinc/91/35/31/566913531.db2.gz HRPKCGHBTQGJNC-UHFFFAOYSA-N -1 0 382.511 3.350 10 0 GGAERM CCc1ncc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)o1 ZINC000451961362 566914674 /nfs/dbraw/zinc/91/46/74/566914674.db2.gz SERXETSDXVSQMW-UHFFFAOYSA-N -1 0 385.692 3.193 10 0 GGAERM Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000563763059 566914915 /nfs/dbraw/zinc/91/49/15/566914915.db2.gz ZENTWXLACHSSMP-GFCCVEGCSA-N -1 0 381.450 3.278 10 0 GGAERM Cc1c(F)cccc1S(=O)(=O)N1C[C@H](CC(=O)[O-])Sc2ccccc21 ZINC000563763065 566915091 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ZINC000547542131 567217222 /nfs/dbraw/zinc/21/72/22/567217222.db2.gz LVDKETFIVXUDIU-AWEZNQCLSA-N -1 0 376.459 3.099 10 0 GGAERM O=C([O-])c1c(F)cccc1NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000547542028 567217315 /nfs/dbraw/zinc/21/73/15/567217315.db2.gz VNVRLPZFYFVYII-UHFFFAOYSA-N -1 0 388.214 3.228 10 0 GGAERM CCc1ccc(S(=O)(=O)NC[C@@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000547549830 567218210 /nfs/dbraw/zinc/21/82/10/567218210.db2.gz HCBWUDLVSYYMDC-GFCCVEGCSA-N -1 0 387.910 3.186 10 0 GGAERM COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1F ZINC000547552765 567218561 /nfs/dbraw/zinc/21/85/61/567218561.db2.gz MCJBEWQBOFCQBX-UHFFFAOYSA-N -1 0 387.816 3.158 10 0 GGAERM Cc1ccc(S(=O)(=O)Nc2cc(Br)c(F)cc2C(=O)[O-])cc1 ZINC000567113570 567219182 /nfs/dbraw/zinc/21/91/82/567219182.db2.gz DINIKGICIVRPTM-UHFFFAOYSA-N -1 0 388.214 3.396 10 0 GGAERM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000547555102 567220162 /nfs/dbraw/zinc/22/01/62/567220162.db2.gz BWZRUUHSSDTHDD-UHFFFAOYSA-N -1 0 384.797 3.197 10 0 GGAERM CCc1cccc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000547558538 567220445 /nfs/dbraw/zinc/22/04/45/567220445.db2.gz MSSYFKCUVKVNKT-OAHLLOKOSA-N -1 0 381.881 3.124 10 0 GGAERM CC(C)(CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(=O)[O-] ZINC000547566776 567221536 /nfs/dbraw/zinc/22/15/36/567221536.db2.gz YDENLOAXDNUPKS-UHFFFAOYSA-N -1 0 385.816 3.111 10 0 GGAERM Cc1cccc(F)c1S(=O)(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000547565787 567221978 /nfs/dbraw/zinc/22/19/78/567221978.db2.gz PAIYPLBKAQQSPS-GFCCVEGCSA-N -1 0 381.450 3.278 10 0 GGAERM Cc1cc(Br)c(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)[nH]n2)s1 ZINC000684608917 567222518 /nfs/dbraw/zinc/22/25/18/567222518.db2.gz TVVFYMZVNGQOGZ-SNVBAGLBSA-N -1 0 392.300 3.194 10 0 GGAERM CCc1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccsc2)s1 ZINC000547571557 567223037 /nfs/dbraw/zinc/22/30/37/567223037.db2.gz YTULABROFFUPEC-YPMHNXCESA-N -1 0 389.545 3.262 10 0 GGAERM Cc1cccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])Sc3ccccc32)c1F ZINC000547570511 567223217 /nfs/dbraw/zinc/22/32/17/567223217.db2.gz XDYYWFBKYRXLRW-GFCCVEGCSA-N -1 0 381.450 3.278 10 0 GGAERM COc1ccc(CCC(=O)N2CCC[C@H](CC(=O)[O-])C2)c(Br)c1 ZINC000659762139 567223284 /nfs/dbraw/zinc/22/32/84/567223284.db2.gz BUOXKTVMNKZEAQ-GFCCVEGCSA-N -1 0 384.270 3.104 10 0 GGAERM O=C(NCC1CSC1)c1cc(Br)c([O-])c(Br)c1 ZINC000616054225 567223384 /nfs/dbraw/zinc/22/33/84/567223384.db2.gz PUAHAIILQVNQJF-UHFFFAOYSA-N -1 0 381.089 3.010 10 0 GGAERM Cc1cccc(CS(=O)(=O)N2C[C@H](CC(=O)[O-])Sc3ccccc32)c1 ZINC000547572690 567223472 /nfs/dbraw/zinc/22/34/72/567223472.db2.gz NRIJXYSDJHPCJQ-HNNXBMFYSA-N -1 0 377.487 3.280 10 0 GGAERM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000499099072 567223921 /nfs/dbraw/zinc/22/39/21/567223921.db2.gz FLCMKHPIFNVJEH-MRVPVSSYSA-N -1 0 376.176 3.430 10 0 GGAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000547576527 567224215 /nfs/dbraw/zinc/22/42/15/567224215.db2.gz VBMFLZCLRSCZNZ-AAEUAGOBSA-N -1 0 385.791 3.281 10 0 GGAERM O=C([O-])[C@H](CC1CCCC1)NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000547574366 567224294 /nfs/dbraw/zinc/22/42/94/567224294.db2.gz ONUCIJMITHLWRW-AWEZNQCLSA-N -1 0 379.400 3.158 10 0 GGAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547574180 567224347 /nfs/dbraw/zinc/22/43/47/567224347.db2.gz ATCDUKUOUGVMNH-AAEUAGOBSA-N -1 0 396.690 3.024 10 0 GGAERM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000547576564 567224391 /nfs/dbraw/zinc/22/43/91/567224391.db2.gz APLSUJJFXLRIGE-UHFFFAOYSA-N -1 0 388.239 3.021 10 0 GGAERM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)c2ccccc2S1 ZINC000547576470 567224585 /nfs/dbraw/zinc/22/45/85/567224585.db2.gz KQHTYNRGJUJFFK-NSHDSACASA-N -1 0 385.413 3.109 10 0 GGAERM COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547575914 567224889 /nfs/dbraw/zinc/22/48/89/567224889.db2.gz KHIUJRPFGHZWBI-UHFFFAOYSA-N -1 0 387.816 3.158 10 0 GGAERM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2cccc(Cl)c2)cc1F ZINC000547579321 567225360 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CSc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000547592507 567228865 /nfs/dbraw/zinc/22/88/65/567228865.db2.gz FUOWEXUZORTHDG-CQSZACIVSA-N -1 0 389.857 3.305 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(F)c1 ZINC000547594591 567228915 /nfs/dbraw/zinc/22/89/15/567228915.db2.gz DTSDJJNJMYDGNW-SNVBAGLBSA-N -1 0 384.237 3.298 10 0 GGAERM CSc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000547592506 567229123 /nfs/dbraw/zinc/22/91/23/567229123.db2.gz FUOWEXUZORTHDG-AWEZNQCLSA-N -1 0 389.857 3.305 10 0 GGAERM O=C([O-])CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000547599860 567229906 /nfs/dbraw/zinc/22/99/06/567229906.db2.gz RKDNOIFVCAZRAS-UHFFFAOYSA-N -1 0 398.264 3.470 10 0 GGAERM CC(C)=CCSC[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000547608080 567229942 /nfs/dbraw/zinc/22/99/42/567229942.db2.gz JVMZTVQTFDWIJJ-MRXNPFEDSA-N -1 0 379.503 3.271 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccc(Cl)c(F)c1 ZINC000547609123 567229986 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O=C([O-])CN(C(=O)NCCc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000684733589 567232601 /nfs/dbraw/zinc/23/26/01/567232601.db2.gz DCIJWJCWSKCMJH-UHFFFAOYSA-N -1 0 379.404 3.133 10 0 GGAERM Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000567276569 567232776 /nfs/dbraw/zinc/23/27/76/567232776.db2.gz NTTFHTBLGAIXRJ-GFCCVEGCSA-N -1 0 397.440 3.498 10 0 GGAERM O=C([O-])[C@]1(NC(=O)NCC2(Sc3ccccc3)CCCC2)CCSC1 ZINC000684731347 567232820 /nfs/dbraw/zinc/23/28/20/567232820.db2.gz FFXDYORHTUKRBW-SFHVURJKSA-N -1 0 380.535 3.351 10 0 GGAERM O=C([O-])[C@H](Cc1ccccn1)NC(=O)Nc1ccc(Br)c(Cl)c1 ZINC000684746377 567233963 /nfs/dbraw/zinc/23/39/63/567233963.db2.gz ZYQPWNFGZKULFH-ZDUSSCGKSA-N -1 0 398.644 3.315 10 0 GGAERM Cc1cc(Br)cc(C)c1S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-] ZINC000547639107 567234748 /nfs/dbraw/zinc/23/47/48/567234748.db2.gz OJQJBWKXTBYLAG-LLVKDONJSA-N -1 0 392.315 3.234 10 0 GGAERM CC(C)(C)n1cnc(=NC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)[n-]1 ZINC000455126330 567236912 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O=C([O-])CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCc1cccs1 ZINC000568095768 567304636 /nfs/dbraw/zinc/30/46/36/567304636.db2.gz JWVYOPQVBZUJOM-UHFFFAOYSA-N -1 0 387.910 3.251 10 0 GGAERM CCS[C@H]1CCC[C@H]1NC(=O)N=c1[n-]nc(-c2ccccc2OC)s1 ZINC000455812302 567308430 /nfs/dbraw/zinc/30/84/30/567308430.db2.gz PHOILENQZCDTHN-OCCSQVGLSA-N -1 0 378.523 3.431 10 0 GGAERM Cc1sccc1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000527062813 567308890 /nfs/dbraw/zinc/30/88/90/567308890.db2.gz COGMDRYLPLBBLN-UHFFFAOYSA-N -1 0 393.515 3.495 10 0 GGAERM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000685902743 567309291 /nfs/dbraw/zinc/30/92/91/567309291.db2.gz HPRCCRBKAYIZRN-QMMMGPOBSA-N -1 0 390.433 3.033 10 0 GGAERM Cc1ncsc1[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000527052096 567309609 /nfs/dbraw/zinc/30/96/09/567309609.db2.gz HMUGWEPZPIQYRL-NSHDSACASA-N -1 0 395.289 3.004 10 0 GGAERM Cc1ncsc1[C@H](NS(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000527051037 567309789 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GGAERM CO[C@H](C)c1nc(C)c(C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000455918672 567321678 /nfs/dbraw/zinc/32/16/78/567321678.db2.gz JDLILUYUBJSOPB-ZWNOBZJWSA-N -1 0 382.869 3.238 10 0 GGAERM O=C([O-])c1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1F ZINC000568344391 567321604 /nfs/dbraw/zinc/32/16/04/567321604.db2.gz IZSYFTHVXBIXBE-UHFFFAOYSA-N -1 0 377.315 3.485 10 0 GGAERM O=C([O-])C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccsc1 ZINC000548521646 567321776 /nfs/dbraw/zinc/32/17/76/567321776.db2.gz KHUUECXWYCWJHK-GFCCVEGCSA-N -1 0 379.381 3.261 10 0 GGAERM COc1ccccc1[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548530897 567322729 /nfs/dbraw/zinc/32/27/29/567322729.db2.gz NYAXWQATQAPMNL-ZDUSSCGKSA-N -1 0 390.244 3.106 10 0 GGAERM CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(C(=O)[O-])c1 ZINC000548527498 567323532 /nfs/dbraw/zinc/32/35/32/567323532.db2.gz KIKNXRJLLUZUGS-UHFFFAOYSA-N -1 0 382.825 3.106 10 0 GGAERM C[C@@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@@H]1C(=O)[O-] ZINC000568386898 567324028 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O=C(NCc1noc(-c2cccc(F)c2)n1)c1cccc(Br)c1[O-] ZINC000527259390 567324847 /nfs/dbraw/zinc/32/48/47/567324847.db2.gz NTBRXIYUZVCYJS-UHFFFAOYSA-N -1 0 392.184 3.274 10 0 GGAERM Cc1cc(F)ccc1S(=O)(=O)N1[C@@H](c2ccccc2)SC[C@@H]1C(=O)[O-] ZINC000548536319 567324779 /nfs/dbraw/zinc/32/47/79/567324779.db2.gz YLGZHAWNNUTDGV-GDBMZVCRSA-N -1 0 381.450 3.024 10 0 GGAERM O=C([O-])[C@H](CNS(=O)(=O)c1ccccc1Cl)Cc1ccc(Cl)cc1 ZINC000548536582 567324942 /nfs/dbraw/zinc/32/49/42/567324942.db2.gz YETJLLFUFMNJBX-LBPRGKRZSA-N -1 0 388.272 3.215 10 0 GGAERM Cc1ccc([C@H](NS(=O)(=O)c2cccc(Br)c2C)C(=O)[O-])cc1 ZINC000548536594 567324960 /nfs/dbraw/zinc/32/49/60/567324960.db2.gz LKJBUYCQMCXHQO-HNNXBMFYSA-N -1 0 398.278 3.170 10 0 GGAERM O=C([O-])[C@@H](CC1CCCC1)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000548542338 567325472 /nfs/dbraw/zinc/32/54/72/567325472.db2.gz KSNFBBXLFRIJGM-CQSZACIVSA-N -1 0 379.400 3.158 10 0 GGAERM Cc1cc(S(=O)(=O)N(Cc2ccncc2)[C@H](C(=O)[O-])C(C)C)c(C)s1 ZINC000548544781 567325502 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939215385 /nfs/dbraw/zinc/21/53/85/939215385.db2.gz TVNAGPCTXMNBSP-DYVFJYSZSA-N -1 0 375.446 3.127 10 0 GGAERM COc1ccc([C@@H](NC(=O)[C@H]2CCCc3sccc32)C(=O)[O-])c(OC)c1 ZINC000455935658 939215411 /nfs/dbraw/zinc/21/54/11/939215411.db2.gz TVNAGPCTXMNBSP-SUMWQHHRSA-N -1 0 375.446 3.127 10 0 GGAERM COc1ccc([C@@H](NC(=O)[C@@H]2CCCc3sccc32)C(=O)[O-])c(OC)c1 ZINC000455935655 939215472 /nfs/dbraw/zinc/21/54/72/939215472.db2.gz TVNAGPCTXMNBSP-CXAGYDPISA-N -1 0 375.446 3.127 10 0 GGAERM CCC(CC)n1nc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1C ZINC000455938679 939215712 /nfs/dbraw/zinc/21/57/12/939215712.db2.gz WDBKVPDMXJGRDL-SFHVURJKSA-N -1 0 389.452 3.126 10 0 GGAERM CCC(CC)n1nc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)cc1C ZINC000455938676 939215733 /nfs/dbraw/zinc/21/57/33/939215733.db2.gz WDBKVPDMXJGRDL-GOSISDBHSA-N -1 0 389.452 3.126 10 0 GGAERM COc1ccc([C@H](NC(=O)CCCc2cc(F)ccc2F)C(=O)[O-])cc1F ZINC000455937847 939215937 /nfs/dbraw/zinc/21/59/37/939215937.db2.gz VJOFCXNOGVCRBN-SFHVURJKSA-N -1 0 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GGAERM O=C([O-])CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000547904505 567260418 /nfs/dbraw/zinc/26/04/18/567260418.db2.gz KACSQIQWOIYQPM-UHFFFAOYSA-N -1 0 379.400 3.255 10 0 GGAERM CCCCC[C@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CCCC(F)(F)F ZINC000547907380 567260692 /nfs/dbraw/zinc/26/06/92/567260692.db2.gz MVBKCSVVAZLNDH-WDEREUQCSA-N -1 0 377.450 3.067 10 0 GGAERM CN([C@H](C(=O)[O-])c1cc(F)ccc1F)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547906389 567260809 /nfs/dbraw/zinc/26/08/09/567260809.db2.gz OGQXWPONDGOVAM-AWEZNQCLSA-N -1 0 393.770 3.204 10 0 GGAERM CCn1cnc(S(=O)(=O)[N-]c2cc(Br)ccc2OC(C)C)c1 ZINC000433613845 567261270 /nfs/dbraw/zinc/26/12/70/567261270.db2.gz BDTITNUBASCHCK-UHFFFAOYSA-N -1 0 388.287 3.254 10 0 GGAERM COC[C@@H](NC(=O)N=c1[n-]nc(SCc2ccc(F)cc2)s1)C(C)C ZINC000525735894 567262665 /nfs/dbraw/zinc/26/26/65/567262665.db2.gz USBSLHIVXGWDGA-CYBMUJFWSA-N -1 0 384.502 3.184 10 0 GGAERM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000547913093 567262600 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C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1scc(Br)c1Br ZINC000433639833 567264061 /nfs/dbraw/zinc/26/40/61/567264061.db2.gz OICYXYCRQTUFGR-RITPCOANSA-N -1 0 389.134 3.207 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000547933117 567264984 /nfs/dbraw/zinc/26/49/84/567264984.db2.gz OBIYQSVTEFAKLF-ZDUSSCGKSA-N -1 0 396.198 3.376 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000547933116 567265090 /nfs/dbraw/zinc/26/50/90/567265090.db2.gz OBIYQSVTEFAKLF-CYBMUJFWSA-N -1 0 396.198 3.376 10 0 GGAERM CC[C@@H]1[C@@H](CO)CCN1C(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000455369388 567265113 /nfs/dbraw/zinc/26/51/13/567265113.db2.gz UEOAIBXBDSUYRO-NOZJJQNGSA-N -1 0 384.864 3.044 10 0 GGAERM Cc1c(Cl)cccc1S(=O)(=O)N(CCC(=O)[O-])Cc1cccc(F)c1 ZINC000547929010 567265338 /nfs/dbraw/zinc/26/53/38/567265338.db2.gz PWLAJYZCKWXREV-UHFFFAOYSA-N -1 0 385.844 3.453 10 0 GGAERM CCCc1nc(=NC(=O)NCc2c(Cl)cccc2-n2ccnc2)s[n-]1 ZINC000455368497 567265490 /nfs/dbraw/zinc/26/54/90/567265490.db2.gz BHGYIWJGEAFWPO-UHFFFAOYSA-N -1 0 376.873 3.073 10 0 GGAERM CCCc1nc(=NC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)s[n-]1 ZINC000455376584 567266660 /nfs/dbraw/zinc/26/66/60/567266660.db2.gz KIMOMDHTHTVJPK-UHFFFAOYSA-N -1 0 386.880 3.386 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)c1c(F)cccc1F ZINC000547937746 567267111 /nfs/dbraw/zinc/26/71/11/567267111.db2.gz OMMRPPPELNHDJO-AWEZNQCLSA-N -1 0 393.770 3.003 10 0 GGAERM COc1ccc(Cl)c(S(=O)(=O)N[C@H]2CCCCCC[C@H]2C(=O)[O-])c1 ZINC000547935412 567267318 /nfs/dbraw/zinc/26/73/18/567267318.db2.gz CYHHNHURZUKJMX-OCCSQVGLSA-N -1 0 375.874 3.051 10 0 GGAERM CC(C)=CCSC[C@H](NS(=O)(=O)c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000547940277 567268602 /nfs/dbraw/zinc/26/86/02/567268602.db2.gz VOYNVPFVEAOSQO-AWEZNQCLSA-N -1 0 377.915 3.079 10 0 GGAERM CCCc1nc(=NC(=O)N2CCc3c(F)ccc(Br)c3C2)s[n-]1 ZINC000455383414 567269724 /nfs/dbraw/zinc/26/97/24/567269724.db2.gz SEAFQCOYNXYAGE-UHFFFAOYSA-N -1 0 399.289 3.404 10 0 GGAERM Cc1ncc(Cl)c(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n1 ZINC000547989577 567271238 /nfs/dbraw/zinc/27/12/38/567271238.db2.gz JGTKGOADNHRUTP-UHFFFAOYSA-N -1 0 380.260 3.208 10 0 GGAERM CC(C)CCSCC(=O)N[C@H](CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC000591260542 567271255 /nfs/dbraw/zinc/27/12/55/567271255.db2.gz XTVOAPBROMRVTK-LBPRGKRZSA-N -1 0 377.428 3.385 10 0 GGAERM COCc1n[n-]c(=NCc2cc(Br)ccc2Br)s1 ZINC000475730980 567271691 /nfs/dbraw/zinc/27/16/91/567271691.db2.gz LMILCRWDIWYGQP-UHFFFAOYSA-N -1 0 393.104 3.244 10 0 GGAERM CN(c1nc(CSc2nc(=O)cc([O-])n2C2CCCC2)cs1)C1CC1 ZINC000475756738 567272731 /nfs/dbraw/zinc/27/27/31/567272731.db2.gz QAADMYSIHGLMIF-UHFFFAOYSA-N -1 0 378.523 3.411 10 0 GGAERM O=C(N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)N1CCO[C@H](C2CC2)C1 ZINC000525908469 567274869 /nfs/dbraw/zinc/27/48/69/567274869.db2.gz RBKWLTVWWMYIJH-ZDUSSCGKSA-N -1 0 382.848 3.062 10 0 GGAERM CCCC[C@@H](NS(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000567764794 567275151 /nfs/dbraw/zinc/27/51/51/567275151.db2.gz WCLIYBMLJPBTKE-SECBINFHSA-N -1 0 384.679 3.024 10 0 GGAERM COC(=O)c1cc([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)ccc1Cl ZINC000591338906 567276019 /nfs/dbraw/zinc/27/60/19/567276019.db2.gz MENASIRTVALUHG-SNVBAGLBSA-N -1 0 383.857 3.021 10 0 GGAERM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(OC)cc1Br ZINC000475816537 567278724 /nfs/dbraw/zinc/27/87/24/567278724.db2.gz VCDACVKYDLIKNF-UHFFFAOYSA-N -1 0 375.244 3.117 10 0 GGAERM CC(C)[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)c1cccnc1C(=O)[O-] ZINC000567797506 567279003 /nfs/dbraw/zinc/27/90/03/567279003.db2.gz RNJKZWJPIPTKBP-INIZCTEOSA-N -1 0 382.869 3.451 10 0 GGAERM O=c1[n-]c(SCCOc2c(Br)cccc2Br)n[nH]1 ZINC000475894263 567285597 /nfs/dbraw/zinc/28/55/97/567285597.db2.gz DFFKLCGTXUDKTB-UHFFFAOYSA-N -1 0 395.076 3.206 10 0 GGAERM O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ccc(OCC(F)(F)F)cn1 ZINC000433980575 567286187 /nfs/dbraw/zinc/28/61/87/567286187.db2.gz XHAIVHGCVQOFRY-UHFFFAOYSA-N -1 0 386.380 3.277 10 0 GGAERM CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000567878058 567286397 /nfs/dbraw/zinc/28/63/97/567286397.db2.gz ZDVRTRWVJOMENM-NHYWBVRUSA-N -1 0 384.270 3.419 10 0 GGAERM CCc1ccc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000526059680 567286644 /nfs/dbraw/zinc/28/66/44/567286644.db2.gz QUTUOOVFWSRGLD-AWEZNQCLSA-N -1 0 375.418 3.035 10 0 GGAERM Cc1ncsc1[C@@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000526059553 567286690 /nfs/dbraw/zinc/28/66/90/567286690.db2.gz ZGGWYHHLBJPQFM-LLVKDONJSA-N -1 0 395.289 3.004 10 0 GGAERM CCOc1cc(Br)c(F)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000567870675 567286997 /nfs/dbraw/zinc/28/69/97/567286997.db2.gz IYSMESBPHAJTJD-CQSZACIVSA-N -1 0 396.278 3.154 10 0 GGAERM O=C([O-])c1c(F)cccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000548193422 567287298 /nfs/dbraw/zinc/28/72/98/567287298.db2.gz OIQSUNMCJMZRCK-UHFFFAOYSA-N -1 0 377.315 3.485 10 0 GGAERM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000548193629 567287317 /nfs/dbraw/zinc/28/73/17/567287317.db2.gz ZHFSUFFXSJNGBM-QMMMGPOBSA-N -1 0 396.309 3.066 10 0 GGAERM O=C([O-])c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000548197087 567288022 /nfs/dbraw/zinc/28/80/22/567288022.db2.gz QWUBVEAZDXXLMN-UHFFFAOYSA-N -1 0 376.217 3.339 10 0 GGAERM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)Cc1noc2ccccc21 ZINC000548198542 567288923 /nfs/dbraw/zinc/28/89/23/567288923.db2.gz QZQNMIKAUWGSTB-UHFFFAOYSA-N -1 0 378.431 3.190 10 0 GGAERM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000548196526 567289081 /nfs/dbraw/zinc/28/90/81/567289081.db2.gz NEKKKQGFDMMOQB-GFCCVEGCSA-N -1 0 379.381 3.261 10 0 GGAERM Cc1cccc(CS(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000548207284 567289807 /nfs/dbraw/zinc/28/98/07/567289807.db2.gz NFEYYGMRGWLSCM-INIZCTEOSA-N -1 0 381.881 3.011 10 0 GGAERM Cc1ccc(F)c(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000548205768 567290132 /nfs/dbraw/zinc/29/01/32/567290132.db2.gz FKMPATIIMYTFOA-CYBMUJFWSA-N -1 0 385.844 3.009 10 0 GGAERM COc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000548208274 567290183 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COc1cccc(N(CCC(=O)[O-])S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000548221606 567293081 /nfs/dbraw/zinc/29/30/81/567293081.db2.gz YJLHFFFNWXEGGW-UHFFFAOYSA-N -1 0 383.853 3.327 10 0 GGAERM CCc1ccc(S(=O)(=O)N[C@H](CCC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000548220935 567293101 /nfs/dbraw/zinc/29/31/01/567293101.db2.gz MNTOTNJYJLYTPK-OAHLLOKOSA-N -1 0 383.491 3.204 10 0 GGAERM O=C([O-])CN(C1CCCC1)S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000548225243 567293224 /nfs/dbraw/zinc/29/32/24/567293224.db2.gz MHDPXBVCGPMHQK-UHFFFAOYSA-N -1 0 396.690 3.120 10 0 GGAERM C[C@H]1CCCCCN1C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000685739931 567294332 /nfs/dbraw/zinc/29/43/32/567294332.db2.gz AZDXEEOWNDGXCM-NSHDSACASA-N -1 0 379.309 3.063 10 0 GGAERM Cc1cc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2cc(F)ccc2F)sc1C ZINC000548231172 567294590 /nfs/dbraw/zinc/29/45/90/567294590.db2.gz YRQQXBUAKURBHN-AWEZNQCLSA-N -1 0 375.418 3.090 10 0 GGAERM O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)N1C2CCCC1CCC2 ZINC000685760473 567294785 /nfs/dbraw/zinc/29/47/85/567294785.db2.gz BRYUCHVGUQPKEQ-UHFFFAOYSA-N -1 0 391.320 3.205 10 0 GGAERM COc1cccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000548239375 567295737 /nfs/dbraw/zinc/29/57/37/567295737.db2.gz FADWNAVITOKUGY-OAHLLOKOSA-N -1 0 383.853 3.151 10 0 GGAERM Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCO[C@H](C(C)C)C2)cc1C(=O)[O-] ZINC000568007356 567296420 /nfs/dbraw/zinc/29/64/20/567296420.db2.gz IQDDTHCFSXCFKF-WBMJQRKESA-N -1 0 389.901 3.076 10 0 GGAERM CCCc1ccc(Cl)c(S(=O)(=O)NCc2nc(C)c(C(=O)[O-])s2)c1 ZINC000568001559 567296717 /nfs/dbraw/zinc/29/67/17/567296717.db2.gz AWFWKLGIJHTPGH-UHFFFAOYSA-N -1 0 388.898 3.234 10 0 GGAERM O=C([O-])CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)cc1F ZINC000548249545 567298327 /nfs/dbraw/zinc/29/83/27/567298327.db2.gz MXFBJZZKVONABG-UHFFFAOYSA-N -1 0 398.264 3.470 10 0 GGAERM CCCCCc1n[n-]c(=NC(=O)N[C@H]2CCOC3(CCSCC3)C2)s1 ZINC000434207235 567298226 /nfs/dbraw/zinc/29/82/26/567298226.db2.gz SDPFKISARWVAOJ-ZDUSSCGKSA-N -1 0 384.571 3.259 10 0 GGAERM O=C([O-])CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc2cccnc21 ZINC000548250594 567298343 /nfs/dbraw/zinc/29/83/43/567298343.db2.gz QPCPKBGCBLXEGG-UHFFFAOYSA-N -1 0 396.877 3.225 10 0 GGAERM CCc1ccc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2ccc(F)cc2F)s1 ZINC000548246926 567298493 /nfs/dbraw/zinc/29/84/93/567298493.db2.gz DVJWCXXMFGBDAY-AWEZNQCLSA-N -1 0 375.418 3.035 10 0 GGAERM Cc1cc(F)cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)s2)c1 ZINC000548245617 567298736 /nfs/dbraw/zinc/29/87/36/567298736.db2.gz WTBPJBJNIYPJCS-UHFFFAOYSA-N -1 0 377.846 3.125 10 0 GGAERM Cc1cc(Br)ccc1CN(C)C(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000434218279 567300322 /nfs/dbraw/zinc/30/03/22/567300322.db2.gz WVLPOXGXSGGXON-UHFFFAOYSA-N -1 0 380.290 3.190 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000548261521 567300653 /nfs/dbraw/zinc/30/06/53/567300653.db2.gz ARSQZOCRHKVROC-LBPRGKRZSA-N -1 0 380.274 3.300 10 0 GGAERM CC(C)=CCSC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548264714 567301176 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O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000548356352 567309164 /nfs/dbraw/zinc/30/91/64/567309164.db2.gz GSUOGSPWJNQKAR-HONMWMINSA-N -1 0 378.277 3.008 10 0 GGAERM COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000685902742 567309109 /nfs/dbraw/zinc/30/91/09/567309109.db2.gz HPRCCRBKAYIZRN-MRVPVSSYSA-N -1 0 390.433 3.033 10 0 GGAERM Cc1nn(-c2ccc(Br)cc2)cc1C(=O)NC1(CC(=O)[O-])CCC1 ZINC000568161163 567309255 /nfs/dbraw/zinc/30/92/55/567309255.db2.gz WQEFSOOVVUEPJF-UHFFFAOYSA-N -1 0 392.253 3.070 10 0 GGAERM CCC[C@H](C)CS(=O)(=O)N(C)[C@@H](C(=O)[O-])c1ccccc1OC(F)F ZINC000527051757 567309259 /nfs/dbraw/zinc/30/92/59/567309259.db2.gz MPIHVLJFAQUOFI-SMDDNHRTSA-N -1 0 379.425 3.112 10 0 GGAERM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000548356292 567309428 /nfs/dbraw/zinc/30/94/28/567309428.db2.gz BYJINFPGIKOVPG-OSQNNJELSA-N -1 0 385.894 3.429 10 0 GGAERM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000592066859 567311487 /nfs/dbraw/zinc/31/14/87/567311487.db2.gz ICENDITVVGZQGH-ZETCQYMHSA-N -1 0 390.235 3.350 10 0 GGAERM Cc1cc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)[nH]n2)ccc1Br ZINC000568197414 567312235 /nfs/dbraw/zinc/31/22/35/567312235.db2.gz PUPCOTSQELTIAE-ZDUSSCGKSA-N -1 0 386.271 3.133 10 0 GGAERM COc1cccc(-c2nc(=NC(=O)c3ccc(Br)o3)s[n-]2)c1 ZINC000476319259 567314513 /nfs/dbraw/zinc/31/45/13/567314513.db2.gz CMQXJKGFZSQTGI-UHFFFAOYSA-N -1 0 380.223 3.243 10 0 GGAERM CC(C)Oc1ccc(=NC(=O)N(C)Cc2ccccc2Br)[n-]n1 ZINC000476342378 567317526 /nfs/dbraw/zinc/31/75/26/567317526.db2.gz NTVFXLAFVPXIDI-UHFFFAOYSA-N -1 0 379.258 3.112 10 0 GGAERM Cc1cc(S(=O)(=O)N(C)Cc2cc(Cl)ccc2F)sc1C(=O)[O-] ZINC000434640771 567317726 /nfs/dbraw/zinc/31/77/26/567317726.db2.gz OKKLFDBGEIUIKG-UHFFFAOYSA-N -1 0 377.846 3.368 10 0 GGAERM Cc1oc(C)c(S(=O)(=O)N(C)Cc2cc(Cl)ccc2F)c1C(=O)[O-] ZINC000434639089 567317734 /nfs/dbraw/zinc/31/77/34/567317734.db2.gz DTYMVZIGJHJRTF-UHFFFAOYSA-N -1 0 375.805 3.208 10 0 GGAERM Cc1ccc(F)cc1-c1n[n-]c(=NC(=O)NCCCc2nccs2)s1 ZINC000568332502 567319823 /nfs/dbraw/zinc/31/98/23/567319823.db2.gz AQQCHVPKHLQANI-UHFFFAOYSA-N -1 0 377.470 3.285 10 0 GGAERM CC(C)(C)OCCNC(=O)N=c1[n-]nc(-c2cccc(Br)c2)s1 ZINC000548500869 567320289 /nfs/dbraw/zinc/32/02/89/567320289.db2.gz GUMZKJDONXLXJN-UHFFFAOYSA-N -1 0 399.314 3.326 10 0 GGAERM CN(CC(F)(F)F)C(=O)N=c1[n-]nc(SCc2ccc(F)cc2)s1 ZINC000527209422 567320824 /nfs/dbraw/zinc/32/08/24/567320824.db2.gz UPHSOEGRMUOAAA-UHFFFAOYSA-N -1 0 380.392 3.417 10 0 GGAERM O=C([O-])C[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000548521668 567321528 /nfs/dbraw/zinc/32/15/28/567321528.db2.gz OCJWGCTXHOPJAZ-ZDUSSCGKSA-N -1 0 377.846 3.176 10 0 GGAERM CN(Cc1c(F)cccc1Cl)S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000548521839 567321786 /nfs/dbraw/zinc/32/17/86/567321786.db2.gz AJICVHYDTSNRCN-UHFFFAOYSA-N -1 0 390.795 3.105 10 0 GGAERM CC(C)c1ncc(Cl)c(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])n1 ZINC000455921636 567322460 /nfs/dbraw/zinc/32/24/60/567322460.db2.gz LDZOYLRJYNEGLB-ZDUSSCGKSA-N -1 0 382.247 3.333 10 0 GGAERM CCC[C@H](C(=O)[O-])[S@](=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000568361348 567322650 /nfs/dbraw/zinc/32/26/50/567322650.db2.gz JFBHCBDIURXDMX-SSINHNECSA-N -1 0 376.356 3.257 10 0 GGAERM Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000548530269 567323096 /nfs/dbraw/zinc/32/30/96/567323096.db2.gz MMUDWRFMICNZLP-HNNXBMFYSA-N -1 0 381.881 3.179 10 0 GGAERM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000548538707 567324486 /nfs/dbraw/zinc/32/44/86/567324486.db2.gz KVPNZHXDQWGTLO-UHFFFAOYSA-N -1 0 384.251 3.398 10 0 GGAERM Cc1ccc([C@@H](NS(=O)(=O)c2cccc(Br)c2C)C(=O)[O-])cc1 ZINC000548536632 567324593 /nfs/dbraw/zinc/32/45/93/567324593.db2.gz LKJBUYCQMCXHQO-OAHLLOKOSA-N -1 0 398.278 3.170 10 0 GGAERM C[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2OC(F)F)C[C@H]1C(=O)[O-] ZINC000568386897 567324706 /nfs/dbraw/zinc/32/47/06/567324706.db2.gz CEIJAONELGYXDO-JOYOIKCWSA-N -1 0 376.787 3.194 10 0 GGAERM C[C@H]1CCN(C(=O)NCc2cc(Cl)ccc2Br)C[C@H]1C(=O)[O-] ZINC000568389648 567324769 /nfs/dbraw/zinc/32/47/69/567324769.db2.gz UEXOPVPKWYRLCM-JOYOIKCWSA-N -1 0 389.677 3.355 10 0 GGAERM Cc1cc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)[O-])C(C)C)c(C)s1 ZINC000548544786 567325510 /nfs/dbraw/zinc/32/55/10/567325510.db2.gz XAGAKSGLMXANBI-MRXNPFEDSA-N -1 0 382.507 3.060 10 0 GGAERM COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1c(F)cccc1Cl ZINC000548544063 567326038 /nfs/dbraw/zinc/32/60/38/567326038.db2.gz UNKGJUDHISZKFI-UHFFFAOYSA-N -1 0 387.816 3.158 10 0 GGAERM Cc1cc(S(=O)(=O)N2[C@@H](C(=O)[O-])CS[C@H]2c2ccsc2)c(C)s1 ZINC000548547627 567327028 /nfs/dbraw/zinc/32/70/28/567327028.db2.gz LCUMGECENVPSQV-YPMHNXCESA-N -1 0 389.545 3.316 10 0 GGAERM CCCc1ccc(S(=O)(=O)N(Cc2csc(C)n2)[C@@H](C)C(=O)[O-])cc1 ZINC000548550510 567327448 /nfs/dbraw/zinc/32/74/48/567327448.db2.gz SXBFINIXSJRGCP-LBPRGKRZSA-N -1 0 382.507 3.068 10 0 GGAERM Cc1cc(F)ccc1S(=O)(=O)N(CCC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000548548270 567327486 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CC(C)[C@@H](C(=O)[O-])N(Cc1ccccc1)S(=O)(=O)CCCC(F)(F)F ZINC000548552723 567328789 /nfs/dbraw/zinc/32/87/89/567328789.db2.gz AXWJCBVPRLNYKA-AWEZNQCLSA-N -1 0 381.416 3.270 10 0 GGAERM CCc1ccc(S(=O)(=O)N(CC)[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)s1 ZINC000548558086 567329225 /nfs/dbraw/zinc/32/92/25/567329225.db2.gz ARWKMBDNALMOJG-OAHLLOKOSA-N -1 0 389.445 3.425 10 0 GGAERM CN([C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc(N)c1 ZINC000548562096 567329379 /nfs/dbraw/zinc/32/93/79/567329379.db2.gz IUJIUADCLGMJKE-CQSZACIVSA-N -1 0 389.260 3.022 10 0 GGAERM CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000548558365 567329599 /nfs/dbraw/zinc/32/95/99/567329599.db2.gz ASFBTPVTHJURIJ-GFCCVEGCSA-N -1 0 387.807 3.479 10 0 GGAERM CN([C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(N)cc1 ZINC000548558794 567329765 /nfs/dbraw/zinc/32/97/65/567329765.db2.gz BDADYOAUYWUVPI-CQSZACIVSA-N -1 0 389.260 3.022 10 0 GGAERM Cc1cc(S(=O)(=O)N(C)[C@H](C(=O)[O-])c2cc(F)ccc2F)c(C)s1 ZINC000548561308 567329852 /nfs/dbraw/zinc/32/98/52/567329852.db2.gz MQNOXOHSQADCFU-AWEZNQCLSA-N -1 0 375.418 3.090 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(F)c1 ZINC000548562087 567329911 /nfs/dbraw/zinc/32/99/11/567329911.db2.gz HBQOWQDQDFVDCI-CYBMUJFWSA-N -1 0 378.208 3.237 10 0 GGAERM CC[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000527301815 567329976 /nfs/dbraw/zinc/32/99/76/567329976.db2.gz XAUNNESJNSKMPE-GFCCVEGCSA-N -1 0 389.901 3.298 10 0 GGAERM Cc1ccccc1CS(=O)(=O)N(CCC(=O)[O-])Cc1cccc(Cl)c1 ZINC000548568363 567330644 /nfs/dbraw/zinc/33/06/44/567330644.db2.gz LHRJDEDJFNSTKC-UHFFFAOYSA-N -1 0 381.881 3.455 10 0 GGAERM O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1ccc(Br)cc1 ZINC000548568769 567330723 /nfs/dbraw/zinc/33/07/23/567330723.db2.gz ZWAUUWOYTSVUMX-KGLIPLIRSA-N -1 0 390.299 3.151 10 0 GGAERM Cc1cc(S(=O)(=O)N2[C@H](Cc3ccccc3)SC[C@@H]2C(=O)[O-])c(C)s1 ZINC000548575992 567331972 /nfs/dbraw/zinc/33/19/72/567331972.db2.gz GAWXLJKSWHKHDJ-ZBFHGGJFSA-N -1 0 397.543 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Cc1n[nH]cc1-c1nnc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)s1 ZINC000548700067 567343042 /nfs/dbraw/zinc/34/30/42/567343042.db2.gz AZBZCXDGZWZKJN-UHFFFAOYSA-N -1 0 377.495 3.271 10 0 GGAERM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)CN1 ZINC000435145993 567343336 /nfs/dbraw/zinc/34/33/36/567343336.db2.gz VQNXTUUOMCEXSS-NSHDSACASA-N -1 0 385.272 3.398 10 0 GGAERM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2)CN1 ZINC000435146296 567343451 /nfs/dbraw/zinc/34/34/51/567343451.db2.gz KPXRPCKZLMPTFI-NSHDSACASA-N -1 0 385.272 3.398 10 0 GGAERM Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)c(Cl)cc1F ZINC000435131659 567343471 /nfs/dbraw/zinc/34/34/71/567343471.db2.gz DRRXDYBFANVKCJ-LBPRGKRZSA-N -1 0 382.844 3.192 10 0 GGAERM Cc1n[nH]cc1-c1n[n-]c(=NC(=O)NCc2c(Cl)cccc2Cl)s1 ZINC000548739232 567347310 /nfs/dbraw/zinc/34/73/10/567347310.db2.gz QVJMVTKDYHKLBV-UHFFFAOYSA-N -1 0 383.264 3.287 10 0 GGAERM Cc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(=O)N(C)CC(F)(F)F)c(C)c1 ZINC000548764191 567348633 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O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1cncc(Br)c1 ZINC000476913623 567357893 /nfs/dbraw/zinc/35/78/93/567357893.db2.gz KWJONRRJZCLEJN-UHFFFAOYSA-N -1 0 383.054 3.347 10 0 GGAERM COC(=O)c1sc([N-]S(=O)(=O)c2ccc(F)cc2C)nc1C(C)(C)C ZINC000476926409 567358573 /nfs/dbraw/zinc/35/85/73/567358573.db2.gz VIBHATQHCSYTRP-UHFFFAOYSA-N -1 0 386.470 3.476 10 0 GGAERM CCc1c([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)onc1C(F)(F)F ZINC000568854850 567361885 /nfs/dbraw/zinc/36/18/85/567361885.db2.gz DNHKFMNSNYBQSD-QMMMGPOBSA-N -1 0 378.376 3.150 10 0 GGAERM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc([C@@H]2CCCO2)[nH]n1 ZINC000548982946 567363783 /nfs/dbraw/zinc/36/37/83/567363783.db2.gz GDGZYMSJKCALFV-LBPRGKRZSA-N -1 0 375.372 3.389 10 0 GGAERM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cc([C@H]2CCCO2)[nH]n1 ZINC000548982945 567364227 /nfs/dbraw/zinc/36/42/27/567364227.db2.gz GDGZYMSJKCALFV-GFCCVEGCSA-N -1 0 375.372 3.389 10 0 GGAERM CC1(C)SC[C@@H]1NC(=O)N=c1[n-]nc(-c2cccc(Br)c2)s1 ZINC000548982102 567364886 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Cn1cc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc(Cl)c1=O ZINC000435478380 567371137 /nfs/dbraw/zinc/37/11/37/567371137.db2.gz GQLUCZYFUOMCIA-UHFFFAOYSA-N -1 0 385.631 3.285 10 0 GGAERM COc1ccc(NC(=O)c2cccc(Br)c2[O-])c(OC)c1OC ZINC000592868414 567371670 /nfs/dbraw/zinc/37/16/70/567371670.db2.gz DWIKGFLCOHUYHY-UHFFFAOYSA-N -1 0 382.210 3.433 10 0 GGAERM COc1cc(Br)cc(S(=O)(=O)[N-]c2cnc(CC3CC3)nc2)c1 ZINC000568994043 567372828 /nfs/dbraw/zinc/37/28/28/567372828.db2.gz SCVAUUBJUAAOBB-UHFFFAOYSA-N -1 0 398.282 3.001 10 0 GGAERM CC(C)Cc1nc(=NC(=O)Cc2noc3ccc(Br)cc32)s[n-]1 ZINC000618349898 567376215 /nfs/dbraw/zinc/37/62/15/567376215.db2.gz HMBAZEFMYDGDJJ-UHFFFAOYSA-N -1 0 395.282 3.243 10 0 GGAERM CC1(C)SC[C@@H]1NC(=O)N=c1[n-]nc(SCc2ccc(F)cc2)s1 ZINC000549188596 567378258 /nfs/dbraw/zinc/37/82/58/567378258.db2.gz DKVOGCSPVDQVTO-NSHDSACASA-N -1 0 384.527 3.407 10 0 GGAERM Cc1nc([C@H](C)NS(=O)(=O)c2ccc(CC(C)C)cc2)sc1C(=O)[O-] ZINC000569100347 567379576 /nfs/dbraw/zinc/37/95/76/567379576.db2.gz 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ZINC000435719629 567386102 /nfs/dbraw/zinc/38/61/02/567386102.db2.gz OPTAWUGVIZIVJX-UHFFFAOYSA-N -1 0 384.177 3.300 10 0 GGAERM O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccccc1OC(F)(F)F ZINC000435724408 567386207 /nfs/dbraw/zinc/38/62/07/567386207.db2.gz WXYUCLWIJAQFSV-UHFFFAOYSA-N -1 0 375.250 3.128 10 0 GGAERM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@@H](C)c2ccc(Br)cc2)C(=O)[O-])C1 ZINC000569258373 567390600 /nfs/dbraw/zinc/39/06/00/567390600.db2.gz DLUMIHMSVWQUHL-DDUYRFODSA-N -1 0 398.297 3.327 10 0 GGAERM CCn1cc(S(=O)(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000435876907 567394002 /nfs/dbraw/zinc/39/40/02/567394002.db2.gz LKVQMNSGAJLCTN-MQMHXKEQSA-N -1 0 382.869 3.084 10 0 GGAERM C[C@@H](COC1CCCC1)CS(=O)(=O)[N-][C@H](c1nccs1)C(F)(F)F ZINC000549522319 567394874 /nfs/dbraw/zinc/39/48/74/567394874.db2.gz AYYUUCSYRCSGMJ-CMPLNLGQSA-N -1 0 386.461 3.261 10 0 GGAERM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1 ZINC000435904179 567394896 /nfs/dbraw/zinc/39/48/96/567394896.db2.gz VPEFOWAKOHOSAW-UHFFFAOYSA-N -1 0 392.239 3.030 10 0 GGAERM COC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)(F)F ZINC000435902457 567395547 /nfs/dbraw/zinc/39/55/47/567395547.db2.gz MMKTWZUSWYZNAH-SNVBAGLBSA-N -1 0 384.178 3.378 10 0 GGAERM CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)no1 ZINC000549525773 567396278 /nfs/dbraw/zinc/39/62/78/567396278.db2.gz RZFKIAYDRDOCGW-SNVBAGLBSA-N -1 0 383.417 3.152 10 0 GGAERM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 ZINC000593204006 567396973 /nfs/dbraw/zinc/39/69/73/567396973.db2.gz FBWKROXGWSBPTA-UHFFFAOYSA-N -1 0 397.543 3.416 10 0 GGAERM COc1ccc([C@H](C)N=c2[n-]nc3ccc(Br)cn32)c(OC)c1 ZINC000528154354 567398476 /nfs/dbraw/zinc/39/84/76/567398476.db2.gz OVQLRIGSDURHIV-JTQLQIEISA-N -1 0 377.242 3.104 10 0 GGAERM Cc1oc(S(=O)(=O)N[C@H]2CCCOc3c(Cl)cccc32)cc1C(=O)[O-] ZINC000569358072 567399981 /nfs/dbraw/zinc/39/99/81/567399981.db2.gz FQIMIMJHKMXTPP-ZDUSSCGKSA-N -1 0 385.825 3.132 10 0 GGAERM CC(C)Oc1ccc(=NC(=O)c2cc(Cl)cc(Br)c2F)[n-]n1 ZINC000436019880 567400440 /nfs/dbraw/zinc/40/04/40/567400440.db2.gz XRUDLSXODDFAJI-UHFFFAOYSA-N -1 0 388.624 3.493 10 0 GGAERM CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)oc1C ZINC000593278482 567402612 /nfs/dbraw/zinc/40/26/12/567402612.db2.gz OHILVGCIGVSELT-UHFFFAOYSA-N -1 0 399.277 3.470 10 0 GGAERM Cc1c(NS(=O)(=O)Cc2cccc(Br)c2)cccc1C(=O)[O-] ZINC000549721038 567405632 /nfs/dbraw/zinc/40/56/32/567405632.db2.gz SBUQLRZPBUOMFD-UHFFFAOYSA-N -1 0 384.251 3.398 10 0 GGAERM CC[C@@H]1OCC[C@H]1NC(=O)N=c1[n-]nc(SCc2ccc(F)cc2)s1 ZINC000569446296 567405626 /nfs/dbraw/zinc/40/56/26/567405626.db2.gz RQDWEOXUVGXBHN-OLZOCXBDSA-N -1 0 382.486 3.080 10 0 GGAERM O=C(CSc1cccc(Br)c1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000501860174 567408951 /nfs/dbraw/zinc/40/89/51/567408951.db2.gz DJMRQOVSKCUPGX-UHFFFAOYSA-N -1 0 380.189 3.344 10 0 GGAERM COc1ccc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cc1OC ZINC000618761827 567411590 /nfs/dbraw/zinc/41/15/90/567411590.db2.gz HETSKHGDWSTRFJ-UHFFFAOYSA-N -1 0 385.825 3.165 10 0 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382.258 3.296 10 0 GGAERM O=C([O-])C1CCC(NC(=O)[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000630136087 566705395 /nfs/dbraw/zinc/70/53/95/566705395.db2.gz XIAWPAYNSFECOD-BTFDYCFZSA-N -1 0 378.266 3.094 10 0 GGAERM O=C([O-])C1(CNC(=O)[C@H]2[C@@H]3c4ccc(Br)cc4C[C@H]23)CCCC1 ZINC000630139803 566705567 /nfs/dbraw/zinc/70/55/67/566705567.db2.gz KKUIWXJLVSTKNK-RRFJBIMHSA-N -1 0 378.266 3.096 10 0 GGAERM C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000630145214 566705593 /nfs/dbraw/zinc/70/55/93/566705593.db2.gz JKLBPNIPVKHCAY-YJBOKZPZSA-N -1 0 380.282 3.440 10 0 GGAERM Cc1ncc2n1C[C@@H](C(=O)NCc1c(C(=O)[O-])sc3ccsc31)CC2 ZINC000630141273 566705775 /nfs/dbraw/zinc/70/57/75/566705775.db2.gz ZXCNBDZJPAKNDT-JTQLQIEISA-N -1 0 375.475 3.045 10 0 GGAERM CC(C)(NC(=O)CC1(C(=O)[O-])CCOCC1)c1ccc(Br)cc1 ZINC000630145617 566705799 /nfs/dbraw/zinc/70/57/99/566705799.db2.gz YGRHFEIIAGLOEZ-UHFFFAOYSA-N -1 0 384.270 3.072 10 0 GGAERM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCc1nc(C(=O)[O-])cs1 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Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@@H](CC(=O)[O-])C2)c1Cl ZINC000656525111 566909375 /nfs/dbraw/zinc/90/93/75/566909375.db2.gz ZCVMICOXWTXBKV-ONGXEEELSA-N -1 0 380.293 3.423 10 0 GGAERM C[C@H]1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1CC(=O)[O-] ZINC000656523869 566909710 /nfs/dbraw/zinc/90/97/10/566909710.db2.gz PKSGCLPMJHZQTF-VHSXEESVSA-N -1 0 399.818 3.480 10 0 GGAERM Cc1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C)[C@H](CC(=O)[O-])C2)c1Cl ZINC000656525108 566909770 /nfs/dbraw/zinc/90/97/70/566909770.db2.gz ZCVMICOXWTXBKV-GXSJLCMTSA-N -1 0 380.293 3.423 10 0 GGAERM Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC23CCSCC3)cc1C(=O)[O-] ZINC000582967286 566910089 /nfs/dbraw/zinc/91/00/89/566910089.db2.gz ALVQKDLWDUKFRG-NSHDSACASA-N -1 0 389.926 3.158 10 0 GGAERM Cc1cccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)s3)C[C@H]2C(=O)[O-])c1 ZINC000518918758 566910201 /nfs/dbraw/zinc/91/02/01/566910201.db2.gz FYPXPMNXKAPHTL-QWHCGFSZSA-N -1 0 385.894 3.199 10 0 GGAERM O=C([O-])[C@H]1N(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC12CCCC2 ZINC000656527929 566910661 /nfs/dbraw/zinc/91/06/61/566910661.db2.gz YXQBOFHAZAVAPW-GFCCVEGCSA-N -1 0 382.240 3.150 10 0 GGAERM COC[C@@H](C)S(=O)(=O)N[C@H](c1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000656528016 566910674 /nfs/dbraw/zinc/91/06/74/566910674.db2.gz GLBNUTCVQMDDTC-NOZJJQNGSA-N -1 0 398.308 3.100 10 0 GGAERM Cc1nc2ccc(S(=O)(=O)N3CCCC[C@@H]3CCCC(=O)[O-])cc2s1 ZINC000656527296 566910856 /nfs/dbraw/zinc/91/08/56/566910856.db2.gz XSGUVZKVEUAUTG-CYBMUJFWSA-N -1 0 382.507 3.403 10 0 GGAERM O=C([O-])[C@@H]1N(S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC12CCCC2 ZINC000656527347 566910892 /nfs/dbraw/zinc/91/08/92/566910892.db2.gz JJOQOEAYEGGWDG-LBPRGKRZSA-N -1 0 397.802 3.377 10 0 GGAERM O=C([O-])[C@@H]1CC[C@@H]2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000563791403 566917559 /nfs/dbraw/zinc/91/75/59/566917559.db2.gz UUPJVBGQUYTGGL-UEKVPHQBSA-N -1 0 392.304 3.398 10 0 GGAERM C[C@H](CNC(=O)N[C@@]1(C(=O)[O-])CCSC1)c1c(Cl)cccc1Cl ZINC000519066510 566918041 /nfs/dbraw/zinc/91/80/41/566918041.db2.gz 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/nfs/dbraw/zinc/04/71/01/567047101.db2.gz RZXHKOVNLSGCTQ-UHFFFAOYSA-N -1 0 391.318 3.441 10 0 GGAERM Cc1cnn(C)c1[N-]S(=O)(=O)c1cc(Br)c(Cl)cc1C ZINC000634659071 567047120 /nfs/dbraw/zinc/04/71/20/567047120.db2.gz SZELGKBVFDEGFQ-UHFFFAOYSA-N -1 0 378.679 3.254 10 0 GGAERM O=S(=O)([N-]c1csc(-c2ccccn2)n1)c1cnn(C2CCCC2)c1 ZINC000634658240 567047127 /nfs/dbraw/zinc/04/71/27/567047127.db2.gz XRBUSMGILALYKU-UHFFFAOYSA-N -1 0 375.479 3.318 10 0 GGAERM C[C@H]1C[C@H]1c1nnc([N-]S(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662231 567047858 /nfs/dbraw/zinc/04/78/58/567047858.db2.gz KCPNYQPVOPLUJU-NKWVEPMBSA-N -1 0 392.662 3.410 10 0 GGAERM C[C@H]1C[C@@H]1c1nnc([N-]S(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000634662230 567047947 /nfs/dbraw/zinc/04/79/47/567047947.db2.gz KCPNYQPVOPLUJU-BQBZGAKWSA-N -1 0 392.662 3.410 10 0 GGAERM Fc1cccc(F)c1CN1CCC[C@H](N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000584546795 567052215 /nfs/dbraw/zinc/05/22/15/567052215.db2.gz RJXUWNYXASYQCV-VIFPVBQESA-N -1 0 378.370 3.334 10 0 GGAERM C/C=C\C[C@H](NC(=O)Nc1cc(OC)c(Br)c(OC)c1)C(=O)[O-] ZINC000565282996 567053151 /nfs/dbraw/zinc/05/31/51/567053151.db2.gz PDAWBEPFSDJKPY-LWTINBJPSA-N -1 0 387.230 3.007 10 0 GGAERM O=S1(=O)CCc2cc(CN=c3[n-]nc(-c4ccccc4Cl)s3)ccc21 ZINC000545470393 567054009 /nfs/dbraw/zinc/05/40/09/567054009.db2.gz FJZTUYHUBSRHEB-UHFFFAOYSA-N -1 0 391.905 3.222 10 0 GGAERM Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000584566495 567054394 /nfs/dbraw/zinc/05/43/94/567054394.db2.gz UQZVSVULWYCBDI-CYBMUJFWSA-N -1 0 391.873 3.132 10 0 GGAERM COC(=O)c1ccc(C(=O)N=c2nc(-c3sccc3C)[n-]s2)cc1F ZINC000613676709 567054976 /nfs/dbraw/zinc/05/49/76/567054976.db2.gz FTCMBYODPOBPRO-UHFFFAOYSA-N -1 0 377.422 3.175 10 0 GGAERM C[C@H](CN=c1[n-]c(C2CCOCC2)no1)Oc1ccc(Br)cc1 ZINC000521403847 567057483 /nfs/dbraw/zinc/05/74/83/567057483.db2.gz GUKNEERCHMDECN-LLVKDONJSA-N -1 0 382.258 3.027 10 0 GGAERM C[C@@H](CN=c1[n-]c(C2CCOCC2)no1)Oc1ccc(Br)cc1 ZINC000521403848 567058394 /nfs/dbraw/zinc/05/83/94/567058394.db2.gz GUKNEERCHMDECN-NSHDSACASA-N -1 0 382.258 3.027 10 0 GGAERM C[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1ncc(Br)cn1 ZINC000431141577 567058669 /nfs/dbraw/zinc/05/86/69/567058669.db2.gz XBNNJNDCRROJEP-GTNSWQLSSA-N -1 0 398.301 3.478 10 0 GGAERM COc1cc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc(OC)c1C ZINC000431177614 567063501 /nfs/dbraw/zinc/06/35/01/567063501.db2.gz HXOIGJQRCSPVRM-UHFFFAOYSA-N -1 0 376.356 3.227 10 0 GGAERM O=C(N=c1[n-]ncs1)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000565383887 567064109 /nfs/dbraw/zinc/06/41/09/567064109.db2.gz FEXITVWGRFAVHJ-GFCCVEGCSA-N -1 0 392.282 3.403 10 0 GGAERM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1Br ZINC000431217491 567066798 /nfs/dbraw/zinc/06/67/98/567066798.db2.gz BETVCXJWDKPDHC-UBHSHLNASA-N -1 0 382.254 3.072 10 0 GGAERM COCc1ccccc1CS(=O)(=O)[N-]c1nc2ccc(OC)cc2s1 ZINC000584743486 567067135 /nfs/dbraw/zinc/06/71/35/567067135.db2.gz LYMSUSLNROJSEJ-UHFFFAOYSA-N -1 0 378.475 3.393 10 0 GGAERM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C1CC(C(=O)[O-])C1 ZINC000682697433 567067999 /nfs/dbraw/zinc/06/79/99/567067999.db2.gz BMBQZAQWPBUWSM-UHFFFAOYSA-N -1 0 387.263 3.281 10 0 GGAERM CCC[C@@](C)(NC(=O)N[C@@H](C)c1ccc(Br)cc1OC)C(=O)[O-] ZINC000584824205 567073852 /nfs/dbraw/zinc/07/38/52/567073852.db2.gz SRBMRUIRRUZZSJ-MGPLVRAMSA-N -1 0 387.274 3.461 10 0 GGAERM COCc1csc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n1 ZINC000682807031 567073799 /nfs/dbraw/zinc/07/37/99/567073799.db2.gz LVSDONVPFZEZPD-UHFFFAOYSA-N -1 0 382.385 3.130 10 0 GGAERM CS(=O)(=O)Nc1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000496633185 567077850 /nfs/dbraw/zinc/07/78/50/567077850.db2.gz RODVVAOFVGRRON-OAHLLOKOSA-N -1 0 378.881 3.341 10 0 GGAERM Cc1nc2ccc(S(=O)(=O)[N-]c3cc(C4CCOCC4)[nH]n3)cc2s1 ZINC000565575202 567078974 /nfs/dbraw/zinc/07/89/74/567078974.db2.gz KRJVUCBEXYGLLC-UHFFFAOYSA-N -1 0 378.479 3.023 10 0 GGAERM CSc1ccccc1S(=O)(=O)N(C)[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000682897821 567080587 /nfs/dbraw/zinc/08/05/87/567080587.db2.gz SNFYZYIAIOVKFJ-OAHLLOKOSA-N -1 0 387.429 3.133 10 0 GGAERM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3ncc(-c4cccnc4)s3)cn21 ZINC000565587703 567080671 /nfs/dbraw/zinc/08/06/71/567080671.db2.gz NINLCLDINLVCTB-NSHDSACASA-N -1 0 375.479 3.100 10 0 GGAERM CCc1ccccc1S(=O)(=O)N[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000682896912 567080712 /nfs/dbraw/zinc/08/07/12/567080712.db2.gz XTXBLOJVFALOEY-HNNXBMFYSA-N -1 0 398.278 3.116 10 0 GGAERM Cc1cc(S(=O)(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)sc1Cl ZINC000473439458 567081553 /nfs/dbraw/zinc/08/15/53/567081553.db2.gz AUJYAWMVTDSJJE-CYBMUJFWSA-N -1 0 387.910 3.464 10 0 GGAERM COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc(Cl)c1O ZINC000545886329 567085320 /nfs/dbraw/zinc/08/53/20/567085320.db2.gz HMHPUROFISRHOT-UHFFFAOYSA-N -1 0 379.825 3.037 10 0 GGAERM O=C(c1c([O-])cc(F)cc1F)N(CCO)Cc1ccc(Br)s1 ZINC000682993476 567089327 /nfs/dbraw/zinc/08/93/27/567089327.db2.gz WTXWTLBKYCRAOS-UHFFFAOYSA-N -1 0 392.221 3.129 10 0 GGAERM O=C(CC[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1)Nc1c(Cl)cccc1Cl ZINC000565702852 567091735 /nfs/dbraw/zinc/09/17/35/567091735.db2.gz IQJMBWDTAOEGGT-UHFFFAOYSA-N -1 0 384.267 3.025 10 0 GGAERM CCCc1nc(=NC(=O)c2ccn(-c3cccc(Br)c3)n2)s[n-]1 ZINC000545966586 567092422 /nfs/dbraw/zinc/09/24/22/567092422.db2.gz LPRLSIOGZAXNPE-UHFFFAOYSA-N -1 0 392.282 3.113 10 0 GGAERM O=S(=O)([N-]c1cc([C@H]2CCCO2)[nH]n1)c1ccc(C(F)(F)F)cc1F ZINC000565750329 567095733 /nfs/dbraw/zinc/09/57/33/567095733.db2.gz KJUHLAOQAIEUAJ-LLVKDONJSA-N -1 0 379.335 3.220 10 0 GGAERM Cc1nc2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cc2s1 ZINC000565752054 567096594 /nfs/dbraw/zinc/09/65/94/567096594.db2.gz WLYWVANTJWWCHL-OAHLLOKOSA-N -1 0 396.877 3.362 10 0 GGAERM CCC1(CC)CN(C(=O)N=c2nc(-c3sccc3C)[n-]s2)CC[S@@]1=O ZINC000546038300 567097581 /nfs/dbraw/zinc/09/75/81/567097581.db2.gz IHUSDEMEOZROLZ-VWLOTQADSA-N -1 0 398.579 3.152 10 0 GGAERM O=C(N=c1nc(SCc2ccccc2)[n-]s1)N[C@H](CO)c1ccsc1 ZINC000473722250 567098644 /nfs/dbraw/zinc/09/86/44/567098644.db2.gz MEMWORVBJZYIHE-CYBMUJFWSA-N -1 0 392.531 3.169 10 0 GGAERM CCC1(CC)CN(C(=O)N=c2nc(-c3sccc3C)[n-]s2)CC[S@]1=O ZINC000546038301 567099083 /nfs/dbraw/zinc/09/90/83/567099083.db2.gz IHUSDEMEOZROLZ-RUZDIDTESA-N -1 0 398.579 3.152 10 0 GGAERM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC000473756919 567101100 /nfs/dbraw/zinc/10/11/00/567101100.db2.gz OXZDUGLGZINSBA-UHFFFAOYSA-N -1 0 398.359 3.197 10 0 GGAERM O=C(N=c1nc(-c2cccc(Cl)c2)[n-]s1)N[C@@H](CO)c1ccsc1 ZINC000473770733 567101150 /nfs/dbraw/zinc/10/11/50/567101150.db2.gz VQOVBLLIBMFSON-LBPRGKRZSA-N -1 0 380.882 3.197 10 0 GGAERM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC000473756014 567101212 /nfs/dbraw/zinc/10/12/12/567101212.db2.gz JLXPEZXVQZKVQO-UHFFFAOYSA-N -1 0 398.359 3.279 10 0 GGAERM CCOCCOc1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)cc1 ZINC000473756339 567101933 /nfs/dbraw/zinc/10/19/33/567101933.db2.gz AGLRTNRAYGPSRR-UHFFFAOYSA-N -1 0 396.412 3.378 10 0 GGAERM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)c1 ZINC000473758584 567102021 /nfs/dbraw/zinc/10/20/21/567102021.db2.gz PWLPPPYDMGWYPQ-UHFFFAOYSA-N -1 0 394.396 3.448 10 0 GGAERM Cc1csc([C@@H](C)NC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC000565826074 567102582 /nfs/dbraw/zinc/10/25/82/567102582.db2.gz QZTTVIINIAWLSN-BXKDBHETSA-N -1 0 398.282 3.400 10 0 GGAERM CCC(CC)(CNC(=O)N=c1nc(-c2sccc2C)[n-]s1)C(=O)OC ZINC000473828243 567105153 /nfs/dbraw/zinc/10/51/53/567105153.db2.gz XEGQFWWAGDSZTR-UHFFFAOYSA-N -1 0 382.511 3.098 10 0 GGAERM COCC[C@H](NC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccco1 ZINC000473832478 567106579 /nfs/dbraw/zinc/10/65/79/567106579.db2.gz VLYQRZRKUSGIGT-NSHDSACASA-N -1 0 378.479 3.489 10 0 GGAERM Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)sc1C(F)(F)F ZINC000565886667 567108251 /nfs/dbraw/zinc/10/82/51/567108251.db2.gz WYGQAZIQTNQJMS-UHFFFAOYSA-N -1 0 377.413 3.263 10 0 GGAERM O=C([O-])[C@H](CC1CCC1)NS(=O)(=O)c1cccc(Br)c1Cl ZINC000565965919 567114113 /nfs/dbraw/zinc/11/41/13/567114113.db2.gz IWCJQAUQYBXAPY-JTQLQIEISA-N -1 0 396.690 3.024 10 0 GGAERM COCc1n[n-]c(=N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000473916106 567114763 /nfs/dbraw/zinc/11/47/63/567114763.db2.gz OBLFSKUWYFOBGI-LLVKDONJSA-N -1 0 387.292 3.021 10 0 GGAERM COc1cc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)c(C(=O)[O-])c1 ZINC000565979488 567116271 /nfs/dbraw/zinc/11/62/71/567116271.db2.gz XLWZMYZRJWPPFT-UHFFFAOYSA-N -1 0 385.825 3.165 10 0 GGAERM Cc1csc(C2(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)CCC2)n1 ZINC000546253163 567117295 /nfs/dbraw/zinc/11/72/95/567117295.db2.gz KHQFFACRMMTWSE-UHFFFAOYSA-N -1 0 380.491 3.124 10 0 GGAERM CCc1ccc(S(=O)(=O)[N-]c2ncc(OC)cc2Br)s1 ZINC000566032673 567121209 /nfs/dbraw/zinc/12/12/09/567121209.db2.gz PVIUXNOAPOVJJD-UHFFFAOYSA-N -1 0 377.285 3.277 10 0 GGAERM O=C([O-])[C@@]1(CC(=O)Nc2cc3c(cc2Br)CCC3)CCSC1 ZINC000683437850 567124782 /nfs/dbraw/zinc/12/47/82/567124782.db2.gz OHJWHACZHFREEQ-MRXNPFEDSA-N -1 0 384.295 3.474 10 0 GGAERM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2n[nH]cc21 ZINC000588625622 567130586 /nfs/dbraw/zinc/13/05/86/567130586.db2.gz 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CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000548568950 567330895 /nfs/dbraw/zinc/33/08/95/567330895.db2.gz BZQPIDRLOITHMB-CQSZACIVSA-N -1 0 388.536 3.300 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(F)c1 ZINC000548570482 567330998 /nfs/dbraw/zinc/33/09/98/567330998.db2.gz ZJQBHJNNFGTAOD-CYBMUJFWSA-N -1 0 378.208 3.237 10 0 GGAERM Cc1cc(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Cl)s2)ccc1F ZINC000548574918 567331703 /nfs/dbraw/zinc/33/17/03/567331703.db2.gz HFEGKEYMXCKSNO-UHFFFAOYSA-N -1 0 377.846 3.125 10 0 GGAERM Cc1ccsc1S(=O)(=O)N1[C@H](C(=O)[O-])CS[C@H]1CCc1ccccc1 ZINC000548575088 567331774 /nfs/dbraw/zinc/33/17/74/567331774.db2.gz BNZMNTSUKFPPJZ-GJZGRUSLSA-N -1 0 397.543 3.206 10 0 GGAERM Cc1c(NS(=O)(=O)N(C)Cc2c(F)cccc2Cl)cccc1C(=O)[O-] ZINC000548578214 567331959 /nfs/dbraw/zinc/33/19/59/567331959.db2.gz ZIKYAMLFGRIROP-UHFFFAOYSA-N -1 0 386.832 3.274 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(F)c1 ZINC000548574143 567332582 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COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)[O-] ZINC000005662130 564218415 /nfs/dbraw/zinc/21/84/15/564218415.db2.gz WHWLYNPGQJDKPR-UVTDQMKNSA-N -1 0 376.206 3.313 10 0 biogenic GGAERM CSc1nc(C)c(CCC(=O)N2CC=C(c3cccs3)CC2)c(=O)[nH]1 ZINC000117722197 564231325 /nfs/dbraw/zinc/23/13/25/564231325.db2.gz WNJPZGBKKJJDGU-UHFFFAOYSA-N -1 0 375.519 3.110 10 0 GGAERM CC(=O)N(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000118302345 564238969 /nfs/dbraw/zinc/23/89/69/564238969.db2.gz YHRYUCNYUZUPJO-UHFFFAOYSA-N -1 0 383.267 3.233 10 0 GGAERM O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000007814453 564242048 /nfs/dbraw/zinc/24/20/48/564242048.db2.gz AWKDYAFPGNZGER-CYBMUJFWSA-N -1 0 375.780 3.113 10 0 GGAERM O=C(Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000012339329 564267308 /nfs/dbraw/zinc/26/73/08/564267308.db2.gz HZIWBWUNOYNSDL-AUWJEWJLSA-N -1 0 377.183 3.393 10 0 GGAERM Cc1nccn1-c1ccc([C@H](C)NC(=O)CSc2n[n-]c(=S)s2)cc1 ZINC000119381988 564267682 /nfs/dbraw/zinc/26/76/82/564267682.db2.gz PQFWVHYVFRBKTG-JTQLQIEISA-N -1 0 391.547 3.290 10 0 GGAERM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2OC)cc1 ZINC000012819416 564271730 /nfs/dbraw/zinc/27/17/30/564271730.db2.gz BCMYQMLTYLYBAS-UHFFFAOYSA-N -1 0 390.230 3.406 10 0 GGAERM CCCCCNC(=O)CSc1nnc(-c2cccs2)n1[C@H](C)C(=O)[O-] ZINC000012907099 564272784 /nfs/dbraw/zinc/27/27/84/564272784.db2.gz JOZSKTWJSQYHEE-LLVKDONJSA-N -1 0 382.511 3.051 10 0 GGAERM O=C([O-])Cc1csc(SCC(=O)NCCCSc2ccccc2)n1 ZINC000012979954 564273727 /nfs/dbraw/zinc/27/37/27/564273727.db2.gz ISSNNBLCKPMYMK-UHFFFAOYSA-N -1 0 382.532 3.161 10 0 GGAERM C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)c1ccncc1 ZINC000013072256 564274479 /nfs/dbraw/zinc/27/44/79/564274479.db2.gz CQCAFIDIIQEROA-MRVPVSSYSA-N -1 0 375.233 3.126 10 0 GGAERM O=C([O-])CCN(Cc1ccccc1)C(=O)COc1cccc(Br)c1 ZINC000013428986 564276024 /nfs/dbraw/zinc/27/60/24/564276024.db2.gz PDPNDJDNHKXCIV-UHFFFAOYSA-N -1 0 392.249 3.331 10 0 GGAERM O=C([O-])[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000018707945 564302363 /nfs/dbraw/zinc/30/23/63/564302363.db2.gz ULPHZYYFTDEMBN-ZDUSSCGKSA-N -1 0 388.228 3.034 10 0 GGAERM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1 ZINC000120099222 564305183 /nfs/dbraw/zinc/30/51/83/564305183.db2.gz DTNCYIDZEUTAGY-OLZOCXBDSA-N -1 0 379.507 3.205 10 0 GGAERM CCc1cc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)n[nH]1 ZINC000120745571 564334653 /nfs/dbraw/zinc/33/46/53/564334653.db2.gz XMSOBCSHCXRARD-UHFFFAOYSA-N -1 0 376.463 3.087 10 0 GGAERM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nncn3C)cc2)c(Cl)cc1F ZINC000120847405 564340343 /nfs/dbraw/zinc/34/03/43/564340343.db2.gz ZDNQPAJCGYYERM-UHFFFAOYSA-N -1 0 380.832 3.384 10 0 GGAERM CCc1noc(C)c1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000121088006 564352152 /nfs/dbraw/zinc/35/21/52/564352152.db2.gz ZWZILXDUMUOEPO-UHFFFAOYSA-N -1 0 383.495 3.034 10 0 GGAERM Cc1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccn2)c(Cl)cc1F ZINC000121281274 564363002 /nfs/dbraw/zinc/36/30/02/564363002.db2.gz QLQCRZOTHZUQNZ-UHFFFAOYSA-N -1 0 380.832 3.228 10 0 GGAERM C[C@]1(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)CCCO1 ZINC000121718461 564383435 /nfs/dbraw/zinc/38/34/35/564383435.db2.gz VQYYVEMGYOCJRK-MRXNPFEDSA-N -1 0 384.454 3.196 10 0 GGAERM CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)c1 ZINC000121790111 564387849 /nfs/dbraw/zinc/38/78/49/564387849.db2.gz XGYTUXVYUINVOV-UHFFFAOYSA-N -1 0 385.482 3.155 10 0 GGAERM NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1Cl ZINC000031721019 564392042 /nfs/dbraw/zinc/39/20/42/564392042.db2.gz PXRODBLOYJLCGX-UHFFFAOYSA-N -1 0 378.759 3.259 10 0 GGAERM COC(=O)CCc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)s3)on2)s1 ZINC000121906686 564392193 /nfs/dbraw/zinc/39/21/93/564392193.db2.gz UQECKWJYRHNMBK-UHFFFAOYSA-N -1 0 398.853 3.266 10 0 GGAERM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(Cl)ccc2C(N)=O)c1 ZINC000032095129 564396404 /nfs/dbraw/zinc/39/64/04/564396404.db2.gz WHUVVPLYWAEWKE-UHFFFAOYSA-N -1 0 375.837 3.096 10 0 GGAERM CC[C@H](C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115365 564410615 /nfs/dbraw/zinc/41/06/15/564410615.db2.gz DMMAGOPTDBVIJG-ZDUSSCGKSA-N -1 0 378.519 3.495 10 0 GGAERM C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(Br)c1 ZINC000035231175 564414913 /nfs/dbraw/zinc/41/49/13/564414913.db2.gz UTPXEECRBUSBIB-QMMMGPOBSA-N -1 0 390.280 3.248 10 0 GGAERM CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1 ZINC000035405112 564415071 /nfs/dbraw/zinc/41/50/71/564415071.db2.gz SUMIETODKVDQFA-UHFFFAOYSA-N -1 0 380.491 3.184 10 0 GGAERM C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1Br ZINC000041298717 564430984 /nfs/dbraw/zinc/43/09/84/564430984.db2.gz XRBJHXRUCDHGEF-NSHDSACASA-N -1 0 397.294 3.312 10 0 GGAERM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1csc(I)c1 ZINC000122943819 564433340 /nfs/dbraw/zinc/43/33/40/564433340.db2.gz ULNNDQXRGVATQU-ZJUUUORDSA-N -1 0 393.246 3.116 10 0 GGAERM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000042306174 564445410 /nfs/dbraw/zinc/44/54/10/564445410.db2.gz BWZZHXFQMKXCLU-UHFFFAOYSA-N -1 0 391.312 3.260 10 0 GGAERM Cc1ccc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1C(F)(F)F ZINC000042675221 564448550 /nfs/dbraw/zinc/44/85/50/564448550.db2.gz ITLAMRMEAGZSQW-UHFFFAOYSA-N -1 0 393.408 3.218 10 0 GGAERM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000042665515 564448766 /nfs/dbraw/zinc/44/87/66/564448766.db2.gz DNPPBACTMLTJAZ-UHFFFAOYSA-N -1 0 380.274 3.198 10 0 GGAERM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000042665652 564449230 /nfs/dbraw/zinc/44/92/30/564449230.db2.gz ORAFQLOVYLZTJX-UHFFFAOYSA-N -1 0 380.274 3.198 10 0 GGAERM COC(=O)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)cc1F ZINC000125418144 564513961 /nfs/dbraw/zinc/51/39/61/564513961.db2.gz NSNZVVIBEABXRJ-UHFFFAOYSA-N -1 0 379.743 3.345 10 0 GGAERM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1 ZINC000125754260 564525889 /nfs/dbraw/zinc/52/58/89/564525889.db2.gz GFHJWTGERHJGNF-UHFFFAOYSA-N -1 0 396.515 3.199 10 0 GGAERM CC(C)c1csc([N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000048444337 564540306 /nfs/dbraw/zinc/54/03/06/564540306.db2.gz NPILNWWUHGGTNI-UHFFFAOYSA-N -1 0 379.276 3.391 10 0 GGAERM Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc(C2CC2)n1 ZINC000127459467 564584714 /nfs/dbraw/zinc/58/47/14/564584714.db2.gz LVGFOSPMWJXPFU-UHFFFAOYSA-N -1 0 386.246 3.365 10 0 GGAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000127511288 564586447 /nfs/dbraw/zinc/58/64/47/564586447.db2.gz HOHXWTCFTCXDJQ-MFKMUULPSA-N -1 0 386.231 3.257 10 0 GGAERM COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc([O-])c(Cl)c1 ZINC000127832183 564598391 /nfs/dbraw/zinc/59/83/91/564598391.db2.gz KVVXRHXCYQQRLN-UHFFFAOYSA-N -1 0 383.231 3.418 10 0 GGAERM Cc1sc(NC[C@H](CO)Cc2cccc(Br)c2)nc1C(=O)[O-] ZINC000520235388 564600174 /nfs/dbraw/zinc/60/01/74/564600174.db2.gz ZMXHJNVSIUMSBJ-LLVKDONJSA-N -1 0 385.283 3.175 10 0 GGAERM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccccc1I ZINC000128042720 564604419 /nfs/dbraw/zinc/60/44/19/564604419.db2.gz KTHMGQOOLFCDTN-YPMHNXCESA-N -1 0 387.217 3.055 10 0 GGAERM COCc1csc([N-]S(=O)(=O)c2cc(Br)sc2C)n1 ZINC000128192728 564610775 /nfs/dbraw/zinc/61/07/75/564610775.db2.gz NPMDNCMAZYKJFG-UHFFFAOYSA-N -1 0 383.314 3.223 10 0 GGAERM C[C@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3scnc3C3CC3)cc(Cl)c2O1 ZINC000128343696 564615145 /nfs/dbraw/zinc/61/51/45/564615145.db2.gz IDEANGUYFMQGMS-QMMMGPOBSA-N -1 0 398.893 3.116 10 0 GGAERM C[C@@H]1Cc2cc(S(=O)(=O)[N-]C(=O)c3scnc3C3CC3)cc(Cl)c2O1 ZINC000128343483 564615379 /nfs/dbraw/zinc/61/53/79/564615379.db2.gz IDEANGUYFMQGMS-MRVPVSSYSA-N -1 0 398.893 3.116 10 0 GGAERM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000055548402 564623205 /nfs/dbraw/zinc/62/32/05/564623205.db2.gz IUZGDDHQPQZDGT-UHFFFAOYSA-N -1 0 375.471 3.434 10 0 GGAERM CCc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)s1 ZINC000055579391 564624097 /nfs/dbraw/zinc/62/40/97/564624097.db2.gz AARCDIUEHMVEBE-UHFFFAOYSA-N -1 0 380.520 3.391 10 0 GGAERM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000055579737 564624144 /nfs/dbraw/zinc/62/41/44/564624144.db2.gz SRJGPAONASWRJF-UHFFFAOYSA-N -1 0 383.779 3.124 10 0 GGAERM COCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n(C)n1 ZINC000129663641 564655828 /nfs/dbraw/zinc/65/58/28/564655828.db2.gz BGGGWPXNBPCGMG-UHFFFAOYSA-N -1 0 397.806 3.082 10 0 GGAERM COCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n(C)n1 ZINC000129665197 564655903 /nfs/dbraw/zinc/65/59/03/564655903.db2.gz FKYIDHRTIPGSCY-UHFFFAOYSA-N -1 0 379.869 3.216 10 0 GGAERM O=S(=O)([N-]c1noc(-c2cccs2)n1)c1ccc(C(F)(F)F)nc1 ZINC000130350946 564678531 /nfs/dbraw/zinc/67/85/31/564678531.db2.gz SAJYJORZXPXGHY-UHFFFAOYSA-N -1 0 376.341 3.013 10 0 GGAERM C[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1ccc(-n2cncn2)cc1 ZINC000131014667 564698705 /nfs/dbraw/zinc/69/87/05/564698705.db2.gz VMIMCLFXSFOAGT-LLVKDONJSA-N -1 0 380.832 3.099 10 0 GGAERM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c(F)c1Cl ZINC000131411891 564711382 /nfs/dbraw/zinc/71/13/82/564711382.db2.gz AWJRRDSXQJXPGM-UHFFFAOYSA-N -1 0 394.758 3.222 10 0 GGAERM CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1Cl ZINC000131887084 564726950 /nfs/dbraw/zinc/72/69/50/564726950.db2.gz PZNLSIUHAWQJDW-CYBMUJFWSA-N -1 0 385.873 3.086 10 0 GGAERM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1 ZINC000131889936 564726996 /nfs/dbraw/zinc/72/69/96/564726996.db2.gz JLMLZOQGJPBIAK-UHFFFAOYSA-N -1 0 378.479 3.300 10 0 GGAERM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000064313006 564727957 /nfs/dbraw/zinc/72/79/57/564727957.db2.gz JTCZMDWXZULFFB-HNNXBMFYSA-N -1 0 382.844 3.268 10 0 GGAERM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c1 ZINC000064844586 564735214 /nfs/dbraw/zinc/73/52/14/564735214.db2.gz JZHMILLRCNDUFF-UHFFFAOYSA-N -1 0 377.447 3.418 10 0 GGAERM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000132152400 564735423 /nfs/dbraw/zinc/73/54/23/564735423.db2.gz YRECUJYVXFAGSF-UHFFFAOYSA-N -1 0 377.447 3.034 10 0 GGAERM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCC3)s2)c1 ZINC000064919630 564736466 /nfs/dbraw/zinc/73/64/66/564736466.db2.gz JGOFCBXEHZPAKV-UHFFFAOYSA-N -1 0 378.519 3.331 10 0 GGAERM CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000132232921 564737803 /nfs/dbraw/zinc/73/78/03/564737803.db2.gz JRQWZMBCQSWLNJ-CYBMUJFWSA-N -1 0 384.259 3.349 10 0 GGAERM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)cs1 ZINC000065119370 564740259 /nfs/dbraw/zinc/74/02/59/564740259.db2.gz BVUDVAYWYUMKLZ-UHFFFAOYSA-N -1 0 375.475 3.170 10 0 GGAERM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(Cl)c2)o1 ZINC000065194056 564740325 /nfs/dbraw/zinc/74/03/25/564740325.db2.gz VHJOGVFIYMONES-UHFFFAOYSA-N -1 0 380.857 3.455 10 0 GGAERM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1 ZINC000065196148 564740461 /nfs/dbraw/zinc/74/04/61/564740461.db2.gz ZVALERCSWAUNOP-UHFFFAOYSA-N -1 0 384.910 3.497 10 0 GGAERM Cn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)ccc1=O ZINC000065128942 564740614 /nfs/dbraw/zinc/74/06/14/564740614.db2.gz MKXFPLNLLRUASB-UHFFFAOYSA-N -1 0 399.856 3.102 10 0 GGAERM Cn1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)ccc1=O ZINC000065128947 564740641 /nfs/dbraw/zinc/74/06/41/564740641.db2.gz LRGKGGOYLMFMEH-UHFFFAOYSA-N -1 0 399.856 3.102 10 0 GGAERM O=S(=O)([N-]c1cc(-c2ccncc2)no1)c1ccc(Br)cc1 ZINC000065153361 564740670 /nfs/dbraw/zinc/74/06/70/564740670.db2.gz CVRSVEVXSHTSAK-UHFFFAOYSA-N -1 0 380.223 3.300 10 0 GGAERM Cc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCN(C(=O)C1CC1)C2 ZINC000065196225 564740692 /nfs/dbraw/zinc/74/06/92/564740692.db2.gz XREBBBRYHPRIQX-UHFFFAOYSA-N -1 0 376.503 3.152 10 0 GGAERM CCn1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3C)c2)ccc1=O ZINC000065129035 564740805 /nfs/dbraw/zinc/74/08/05/564740805.db2.gz QCKFFKJXJKYJNW-UHFFFAOYSA-N -1 0 375.475 3.101 10 0 GGAERM COc1cc(OC)c(NC(=O)c2c(=O)[nH]c3ccsc3c2[O-])cc1Cl ZINC000065215238 564741998 /nfs/dbraw/zinc/74/19/98/564741998.db2.gz OGLLJMMSBSYWRP-UHFFFAOYSA-N -1 0 380.809 3.218 10 0 GGAERM O=C(NCc1cc2c(c(Br)c1)OCO2)c1c([O-])cc(F)cc1F ZINC000066054079 564754663 /nfs/dbraw/zinc/75/46/63/564754663.db2.gz 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Cc1cc([C@H](NS(=O)(=O)C[C@@H]2CCCC2(F)F)C(=O)[O-])ccc1Cl ZINC000516954799 566795519 /nfs/dbraw/zinc/79/55/19/566795519.db2.gz YAZFJWDKDUMSCA-AAEUAGOBSA-N -1 0 381.828 3.129 10 0 GGAERM C[C@@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)C1CCC(F)(F)CC1 ZINC000655342828 566795621 /nfs/dbraw/zinc/79/56/21/566795621.db2.gz OZMGWBOFSMGJKU-SNVBAGLBSA-N -1 0 378.416 3.141 10 0 GGAERM C[C@H](NC(=O)Cc1ccc(Br)cc1O)c1ccc([S@@](C)=O)cc1 ZINC000489606003 566797888 /nfs/dbraw/zinc/79/78/88/566797888.db2.gz QMCHNYREUBYDFK-BSNNYGBQSA-N -1 0 396.306 3.312 10 0 GGAERM CC(C)(C)n1cnc(=NC(=O)N(Cc2csc(Br)c2)C2CC2)[n-]1 ZINC000542436562 566800714 /nfs/dbraw/zinc/80/07/14/566800714.db2.gz CDQUPRQNRKFBPG-UHFFFAOYSA-N -1 0 398.330 3.476 10 0 GGAERM CC(C)(C)n1cnc(=NC(=O)NCc2ccc(Br)cc2Cl)[n-]1 ZINC000542432327 566800742 /nfs/dbraw/zinc/80/07/42/566800742.db2.gz DYFNGFZXBGZYBS-UHFFFAOYSA-N -1 0 386.681 3.193 10 0 GGAERM C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N=c1ncn(C(C)(C)C)[n-]1 ZINC000542432701 566800868 /nfs/dbraw/zinc/80/08/68/566800868.db2.gz IONYGTJJRYFGFY-SNVBAGLBSA-N -1 0 398.280 3.109 10 0 GGAERM Cc1nc(S(=O)(=O)[N-]CC(C)(C)[C@H]2CCCCO2)sc1Br ZINC000678488575 566801747 /nfs/dbraw/zinc/80/17/47/566801747.db2.gz TUPOXHITULRLNJ-SNVBAGLBSA-N -1 0 397.360 3.088 10 0 GGAERM CC(C)(CNC(=O)N(CC(=O)[O-])C1CCC1)c1ccccc1Br ZINC000517068895 566805026 /nfs/dbraw/zinc/80/50/26/566805026.db2.gz WSHXBVBROUSYPC-UHFFFAOYSA-N -1 0 383.286 3.375 10 0 GGAERM Cc1ccsc1-c1nc(=NC(=O)N2CCOC[C@@H]2CC2CCC2)s[n-]1 ZINC000562606176 566805925 /nfs/dbraw/zinc/80/59/25/566805925.db2.gz RCLCASBTNQNJRX-ZDUSSCGKSA-N -1 0 378.523 3.420 10 0 GGAERM CCOC1(C)CN(C(=O)N=c2ccc(-c3ccc(Br)s3)n[n-]2)C1 ZINC000562610931 566806252 /nfs/dbraw/zinc/80/62/52/566806252.db2.gz UHWIOXCDEQMFQH-UHFFFAOYSA-N -1 0 397.298 3.032 10 0 GGAERM CCOC[C@H](C)CS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000451389034 566809522 /nfs/dbraw/zinc/80/95/22/566809522.db2.gz OWFQPFKEEQJPOF-TVQRCGJNSA-N -1 0 375.359 3.160 10 0 GGAERM O=C(Cc1cc(Cl)cc2c1OCC2)N=c1nc(-c2ccsc2)[n-]s1 ZINC000542553285 566810293 /nfs/dbraw/zinc/81/02/93/566810293.db2.gz UDFLVXAACSONFW-UHFFFAOYSA-N -1 0 377.878 3.458 10 0 GGAERM CC(C)(C)OC(=O)CSCC(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000610153434 566810874 /nfs/dbraw/zinc/81/08/74/566810874.db2.gz QZDYTRAOQURUIN-UHFFFAOYSA-N -1 0 399.925 3.294 10 0 GGAERM O=C(c1ccc2scc(Br)c2c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000562690976 566813250 /nfs/dbraw/zinc/81/32/50/566813250.db2.gz IQMOHEIZPWAPDH-JTQLQIEISA-N -1 0 392.282 3.197 10 0 GGAERM O=C(N=c1nc(-c2ccsc2)[n-]s1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000562688754 566813973 /nfs/dbraw/zinc/81/39/73/566813973.db2.gz UJUKBBZNNGLZAM-UONOGXRCSA-N -1 0 378.523 3.093 10 0 GGAERM C[C@H](NC(=O)[C@H]1COc2ccc(Br)cc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655574597 566814741 /nfs/dbraw/zinc/81/47/41/566814741.db2.gz BVLGONCJLWPFCT-NZPIUUIZSA-N -1 0 396.281 3.177 10 0 GGAERM C[C@H](NC(=O)Cc1ccc(Br)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655576500 566816026 /nfs/dbraw/zinc/81/60/26/566816026.db2.gz RUKYTSHOXVIWIM-ZMLRMANQSA-N -1 0 386.261 3.382 10 0 GGAERM COc1nc(N2CCO[C@H](c3ccc(Br)cc3)C2)ccc1C(=O)[O-] ZINC000581946488 566816403 /nfs/dbraw/zinc/81/64/03/566816403.db2.gz PEDNQQBKENBIPE-AWEZNQCLSA-N -1 0 393.237 3.129 10 0 GGAERM COc1cccc(-c2nc(=NC(=O)NCCSCC(F)(F)F)s[n-]2)c1 ZINC000542686870 566816509 /nfs/dbraw/zinc/81/65/09/566816509.db2.gz WOMRJPLGAHTGSO-UHFFFAOYSA-N -1 0 392.428 3.053 10 0 GGAERM CC(C)c1n[nH]c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1Br ZINC000655580035 566816719 /nfs/dbraw/zinc/81/67/19/566816719.db2.gz FHJOZBFEXJOUQR-LPEHRKFASA-N -1 0 386.290 3.161 10 0 GGAERM COc1cc([N-]S(=O)(=O)c2c(Cl)cnn2C)c(C2CC2)cc1Cl ZINC000655602938 566819846 /nfs/dbraw/zinc/81/98/46/566819846.db2.gz PIWXNRVJPWWAHB-UHFFFAOYSA-N -1 0 376.265 3.414 10 0 GGAERM CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](C)c1cccc(Cl)c1 ZINC000451452960 566820593 /nfs/dbraw/zinc/82/05/93/566820593.db2.gz HPHKQFDXMOXZON-BXKDBHETSA-N -1 0 387.807 3.205 10 0 GGAERM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3csc(-c4ccncc4)n3)cn21 ZINC000562780280 566822667 /nfs/dbraw/zinc/82/26/67/566822667.db2.gz GIGGOZXGRSUYEV-LLVKDONJSA-N -1 0 375.479 3.100 10 0 GGAERM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)s1 ZINC000678922516 566825722 /nfs/dbraw/zinc/82/57/22/566825722.db2.gz QHPMJGFMYLYOMA-GFCCVEGCSA-N -1 0 381.523 3.120 10 0 GGAERM Cc1ncsc1CCS(=O)(=O)[N-][C@H](c1cc(F)ccc1F)C(F)F ZINC000451483837 566825865 /nfs/dbraw/zinc/82/58/65/566825865.db2.gz WEKLSYKRQGSKCD-CYBMUJFWSA-N -1 0 382.404 3.198 10 0 GGAERM COc1cccc(CS(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1 ZINC000582053781 566826547 /nfs/dbraw/zinc/82/65/47/566826547.db2.gz KPMOHTCGFXOJSD-LBPRGKRZSA-N -1 0 381.475 3.202 10 0 GGAERM Cc1ccc([C@H]([N-]S(=O)(=O)c2cccc3c2OCCC3)C(F)(F)F)o1 ZINC000655660304 566828371 /nfs/dbraw/zinc/82/83/71/566828371.db2.gz SXGSEXLLPUUNMX-HNNXBMFYSA-N -1 0 375.368 3.495 10 0 GGAERM CO[C@@H](CS(=O)(=O)[N-][C@@H](c1ccc(C)o1)C(F)(F)F)c1ccccc1 ZINC000655660172 566828378 /nfs/dbraw/zinc/82/83/78/566828378.db2.gz NOXAIBQQIJGNCL-GJZGRUSLSA-N -1 0 377.384 3.499 10 0 GGAERM COCc1ccccc1CS(=O)(=O)[N-][C@H](c1ccc(C)o1)C(F)(F)F ZINC000655659815 566828950 /nfs/dbraw/zinc/82/89/50/566828950.db2.gz AFDXJPQJFDNJAZ-OAHLLOKOSA-N -1 0 377.384 3.457 10 0 GGAERM Cc1ccc([C@H]([N-]S(=O)(=O)c2c(C(F)F)c(C)nn2C)C(F)(F)F)o1 ZINC000655659846 566829358 /nfs/dbraw/zinc/82/93/58/566829358.db2.gz BVLPLRDMVKGZHO-JTQLQIEISA-N -1 0 387.330 3.149 10 0 GGAERM Cc1ccc([C@H]([N-]S(=O)(=O)CCOCc2ccccc2)C(F)(F)F)o1 ZINC000655659798 566829407 /nfs/dbraw/zinc/82/94/07/566829407.db2.gz AAFFBPIKEYKNGY-HNNXBMFYSA-N -1 0 377.384 3.328 10 0 GGAERM O=S(=O)(Cc1ccc(F)c(Cl)c1)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655661549 566829416 /nfs/dbraw/zinc/82/94/16/566829416.db2.gz GDAYUNKKWIOOLD-GWCFXTLKSA-N -1 0 389.798 3.399 10 0 GGAERM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC000655662377 566829950 /nfs/dbraw/zinc/82/99/50/566829950.db2.gz QTZUHOXXWJIUOY-WCQYABFASA-N -1 0 381.347 3.350 10 0 GGAERM C[C@@H]1[C@H](C(F)(F)F)CCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451512730 566830150 /nfs/dbraw/zinc/83/01/50/566830150.db2.gz XXTFOJBUSGKQET-VXNVDRBHSA-N -1 0 377.306 3.372 10 0 GGAERM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(F)cc(Cl)c1 ZINC000655662603 566830658 /nfs/dbraw/zinc/83/06/58/566830658.db2.gz UAFFUGXIENNROD-CMPLNLGQSA-N -1 0 375.771 3.257 10 0 GGAERM O=S(=O)(CCc1ccc(Cl)cc1)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655661962 566830901 /nfs/dbraw/zinc/83/09/01/566830901.db2.gz LJPHFZKUVMZQRA-UONOGXRCSA-N -1 0 385.835 3.302 10 0 GGAERM COc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000631878754 566831154 /nfs/dbraw/zinc/83/11/54/566831154.db2.gz ZJMWHKHKKQLVIT-LLVKDONJSA-N -1 0 384.841 3.016 10 0 GGAERM CO[C@H](CS(=O)(=O)[N-]c1cccc2c(Br)ccnc12)C1CC1 ZINC000582122713 566832908 /nfs/dbraw/zinc/83/29/08/566832908.db2.gz WVKBFYARGATEIP-CQSZACIVSA-N -1 0 385.283 3.164 10 0 GGAERM Cc1ccc(S(=O)(=O)[N-]c2cc([C@H]3CCCO3)[nH]n2)cc1C(F)(F)F ZINC000582156881 566835449 /nfs/dbraw/zinc/83/54/49/566835449.db2.gz NETXJRNPWBDOBS-CYBMUJFWSA-N -1 0 375.372 3.389 10 0 GGAERM CCOc1cccc(C[S@](=O)[C@H](C(=O)[O-])c2cccc(Br)c2)n1 ZINC000562978445 566840658 /nfs/dbraw/zinc/84/06/58/566840658.db2.gz QIQDXYWUIYMEMF-WNSKOXEYSA-N -1 0 398.278 3.317 10 0 GGAERM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000542941264 566841305 /nfs/dbraw/zinc/84/13/05/566841305.db2.gz XGZXKHMWYANUFC-UHFFFAOYSA-N -1 0 394.758 3.341 10 0 GGAERM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000582218043 566842690 /nfs/dbraw/zinc/84/26/90/566842690.db2.gz FLXVPDIKMMVRIB-LSDHHAIUSA-N -1 0 376.503 3.386 10 0 GGAERM COc1ccc2c(c1)OCC[C@H]2[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632031334 566842968 /nfs/dbraw/zinc/84/29/68/566842968.db2.gz IQVSYXFTWLDXTF-GFCCVEGCSA-N -1 0 384.841 3.016 10 0 GGAERM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1OCCO ZINC000542981543 566843242 /nfs/dbraw/zinc/84/32/42/566843242.db2.gz QILAQBUEBJBHAQ-UHFFFAOYSA-N -1 0 376.261 3.474 10 0 GGAERM COc1ccc2c(c1)OCC[C@@H]2[N-]S(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632031335 566843580 /nfs/dbraw/zinc/84/35/80/566843580.db2.gz IQVSYXFTWLDXTF-LBPRGKRZSA-N -1 0 384.841 3.016 10 0 GGAERM C[C@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)C[C@H]1F ZINC000679246594 566844347 /nfs/dbraw/zinc/84/43/47/566844347.db2.gz BVTCIHJHWWWMIQ-SWLSCSKDSA-N -1 0 382.482 3.369 10 0 GGAERM O=S(=O)(C[C@H]1CCCCC1(F)F)[N-][C@H](c1nccs1)C(F)(F)F ZINC000451579603 566845014 /nfs/dbraw/zinc/84/50/14/566845014.db2.gz GFUFOYFLUQFGKS-RKDXNWHRSA-N -1 0 378.388 3.491 10 0 GGAERM CN(C[C@@H]1CCCO1)C(=O)N=c1ccc(-c2ccc(Br)s2)n[n-]1 ZINC000582278955 566847188 /nfs/dbraw/zinc/84/71/88/566847188.db2.gz YTJQOLMMEYQTIB-JTQLQIEISA-N -1 0 397.298 3.032 10 0 GGAERM Cc1cc(S(=O)(=O)N2CC[C@H](c3cccc(C)c3)[C@H]2C(=O)[O-])c(C)s1 ZINC000582278142 566847480 /nfs/dbraw/zinc/84/74/80/566847480.db2.gz SLOVVXCVWUBGCI-WBVHZDCISA-N -1 0 379.503 3.305 10 0 GGAERM Cc1nc2ccc(S(=O)(=O)NC[C@@]3(CC(=O)[O-])CC[C@H](C)C3)cc2s1 ZINC000517813813 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CC(C)=CCSC[C@H](NS(=O)(=O)c1cccc(C)c1Cl)C(=O)[O-] ZINC000547932146 567265493 /nfs/dbraw/zinc/26/54/93/567265493.db2.gz YKKFXBPZSQMWHR-LBPRGKRZSA-N -1 0 377.915 3.079 10 0 GGAERM CCCc1nc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)s[n-]1 ZINC000455369293 567265585 /nfs/dbraw/zinc/26/55/85/567265585.db2.gz CBAWGRHSPRBIRU-GFCCVEGCSA-N -1 0 396.314 3.439 10 0 GGAERM Cc1ccc(S(=O)(=O)N2[C@H](CCc3ccccc3)SC[C@@H]2C(=O)[O-])s1 ZINC000547924517 567265596 /nfs/dbraw/zinc/26/55/96/567265596.db2.gz AFQKIEPYOPXZLG-CABCVRRESA-N -1 0 397.543 3.206 10 0 GGAERM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000547937160 567266771 /nfs/dbraw/zinc/26/67/71/567266771.db2.gz WSMAYDMIXITEKX-UHFFFAOYSA-N -1 0 391.779 3.267 10 0 GGAERM Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000547936774 567267092 /nfs/dbraw/zinc/26/70/92/567267092.db2.gz RFCNMHRPSUNZDB-AWEZNQCLSA-N -1 0 375.780 3.031 10 0 GGAERM Clc1cc(Cl)cc(-c2n[n-]c(=NCC3(N4CCOCC4)CC3)s2)c1 ZINC000433792384 567272348 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CC(C)CCc1n[n-]c(=NC(=O)c2n[nH]c(C3CC3)c2Br)s1 ZINC000617097078 567280792 /nfs/dbraw/zinc/28/07/92/567280792.db2.gz GEAJEXOAUWNZMW-UHFFFAOYSA-N -1 0 384.303 3.164 10 0 GGAERM CC[C@](C)(CNC(=O)N=c1[n-]nc(SCc2ccc(F)cc2)s1)OC ZINC000567847066 567283393 /nfs/dbraw/zinc/28/33/93/567283393.db2.gz LYOYDMWPRHHMPC-MRXNPFEDSA-N -1 0 384.502 3.328 10 0 GGAERM CO[C@@H](CS(=O)(=O)[N-]c1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000567870064 567284111 /nfs/dbraw/zinc/28/41/11/567284111.db2.gz RGOCKZCMQSCDPQ-HNNXBMFYSA-N -1 0 388.461 3.179 10 0 GGAERM CO[C@H](CS(=O)(=O)[N-]c1ncc(Cc2ccc(F)c(F)c2)s1)C1CC1 ZINC000567870065 567284562 /nfs/dbraw/zinc/28/45/62/567284562.db2.gz RGOCKZCMQSCDPQ-OAHLLOKOSA-N -1 0 388.461 3.179 10 0 GGAERM C[C@@H]1CCN(C(=O)c2cc(Cl)cc(F)c2Br)C[C@H]1C(=O)[O-] ZINC000567877974 567286738 /nfs/dbraw/zinc/28/67/38/567286738.db2.gz XTPXNBOSYRJWOY-GMSGAONNSA-N -1 0 378.625 3.424 10 0 GGAERM CC(C)Oc1cc(Br)cc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000567878059 567286755 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GGAERM Cc1cc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)c(Cl)cc1F ZINC000548218116 567291124 /nfs/dbraw/zinc/29/11/24/567291124.db2.gz UTEBZNZLXHQXRD-UHFFFAOYSA-N -1 0 385.844 3.453 10 0 GGAERM CCc1cccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])Sc3ccccc32)c1 ZINC000548219029 567291305 /nfs/dbraw/zinc/29/13/05/567291305.db2.gz USJKSJZGVLECGK-CQSZACIVSA-N -1 0 377.487 3.393 10 0 GGAERM Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])Sc3ccccc32)c(C)c1 ZINC000548218557 567291346 /nfs/dbraw/zinc/29/13/46/567291346.db2.gz MFVWFTKEPUPGMR-CQSZACIVSA-N -1 0 377.487 3.448 10 0 GGAERM CCc1cccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])Sc3ccccc32)c1 ZINC000548219024 567291439 /nfs/dbraw/zinc/29/14/39/567291439.db2.gz USJKSJZGVLECGK-AWEZNQCLSA-N -1 0 377.487 3.393 10 0 GGAERM Cc1cc(S(=O)(=O)N2C[C@H](CC(=O)[O-])Sc3ccccc32)ccc1F ZINC000548217664 567291665 /nfs/dbraw/zinc/29/16/65/567291665.db2.gz PLRXNDKDGLRVPN-LBPRGKRZSA-N -1 0 381.450 3.278 10 0 GGAERM CCOc1cc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc(Cl)c1O ZINC000617227222 567291886 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O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)c1cccc(Br)c1 ZINC000548260732 567299464 /nfs/dbraw/zinc/29/94/64/567299464.db2.gz PCOXAWVXSZPMMJ-KGLIPLIRSA-N -1 0 390.299 3.151 10 0 GGAERM Cc1cc2c(o1)c(C(=O)N1CCC[C@@H](c3nnn[n-]3)C1)ccc2Br ZINC000526946966 567299841 /nfs/dbraw/zinc/29/98/41/567299841.db2.gz DFJYTMIACGWMBR-SNVBAGLBSA-N -1 0 390.241 3.037 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1c(F)cccc1F ZINC000548263027 567300908 /nfs/dbraw/zinc/30/09/08/567300908.db2.gz NPNRYMQIPVHJNZ-CQSZACIVSA-N -1 0 393.770 3.003 10 0 GGAERM CCCCCOc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccsc2)cc1 ZINC000548262235 567300934 /nfs/dbraw/zinc/30/09/34/567300934.db2.gz DJHZUZRRRMEFID-INIZCTEOSA-N -1 0 383.491 3.421 10 0 GGAERM CC(C)=CCSC[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000548262945 567301057 /nfs/dbraw/zinc/30/10/57/567301057.db2.gz RCMVIBRUWCPFDT-AWEZNQCLSA-N -1 0 395.905 3.051 10 0 GGAERM CC(C)=CCSC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000548264165 567301113 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GGAERM Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(F)c1 ZINC000548532103 567322546 /nfs/dbraw/zinc/32/25/46/567322546.db2.gz GHIGTSBAIARDBU-CYBMUJFWSA-N -1 0 385.844 3.009 10 0 GGAERM CSc1ccc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1Cl ZINC000476420658 567322940 /nfs/dbraw/zinc/32/29/40/567322940.db2.gz WKGXYAOXXSWQHR-UHFFFAOYSA-N -1 0 391.923 3.266 10 0 GGAERM CCc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000548530986 567323215 /nfs/dbraw/zinc/32/32/15/567323215.db2.gz NNSLUPQXOBBLOY-LBPRGKRZSA-N -1 0 387.910 3.186 10 0 GGAERM CN(Cc1c(F)cccc1Cl)S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000548527646 567323330 /nfs/dbraw/zinc/32/33/30/567323330.db2.gz TXYSOVBPGUJLNU-UHFFFAOYSA-N -1 0 390.795 3.105 10 0 GGAERM CCc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000548534249 567324381 /nfs/dbraw/zinc/32/43/81/567324381.db2.gz LHYGRYDVBCZFNC-HNNXBMFYSA-N -1 0 381.881 3.124 10 0 GGAERM Cc1ccccc1CS(=O)(=O)NC[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000548534651 567324947 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O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)c2ccccc2S1 ZINC000548548747 567327286 /nfs/dbraw/zinc/32/72/86/567327286.db2.gz FMOROGLVJBAAAR-NSHDSACASA-N -1 0 385.413 3.109 10 0 GGAERM Cc1cc(S(=O)(=O)N2[C@H](C(=O)[O-])CS[C@@H]2c2ccsc2)c(C)s1 ZINC000548547626 567327354 /nfs/dbraw/zinc/32/73/54/567327354.db2.gz LCUMGECENVPSQV-WCQYABFASA-N -1 0 389.545 3.316 10 0 GGAERM Cc1nc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)sc1Br ZINC000568417577 567327342 /nfs/dbraw/zinc/32/73/42/567327342.db2.gz GFLXRUDJBPUTQX-UHFFFAOYSA-N -1 0 381.239 3.081 10 0 GGAERM Cc1ccccc1CS(=O)(=O)N1C[C@@H](CC(=O)[O-])Sc2ccccc21 ZINC000548546147 567327513 /nfs/dbraw/zinc/32/75/13/567327513.db2.gz DSDQFVAQGYEJHD-OAHLLOKOSA-N -1 0 377.487 3.280 10 0 GGAERM Cc1cc(F)ccc1S(=O)(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccsc1 ZINC000548557132 567328497 /nfs/dbraw/zinc/32/84/97/567328497.db2.gz UPSJRGXYHYFMTQ-OCCSQVGLSA-N -1 0 387.479 3.085 10 0 GGAERM CCC(C)(C)c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2scnc2C)cc1 ZINC000527301727 567329393 /nfs/dbraw/zinc/32/93/93/567329393.db2.gz RJECSTUPSUOPOM-AWEZNQCLSA-N -1 0 382.507 3.243 10 0 GGAERM CCN([C@@H](C(=O)[O-])c1ccc(F)c(F)c1)S(=O)(=O)c1cc(C)sc1C ZINC000548561392 567329333 /nfs/dbraw/zinc/32/93/33/567329333.db2.gz PVJPIBSOAFGCPC-OAHLLOKOSA-N -1 0 389.445 3.480 10 0 GGAERM CCSCc1cccc([N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)c1 ZINC000592351740 567330529 /nfs/dbraw/zinc/33/05/29/567330529.db2.gz ADMNVALQTLORBO-UHFFFAOYSA-N -1 0 382.507 3.344 10 0 GGAERM CN([C@@H](C(=O)[O-])c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1Cl ZINC000548569879 567330574 /nfs/dbraw/zinc/33/05/74/567330574.db2.gz GDQDVTKFNAPGLP-CQSZACIVSA-N -1 0 393.770 3.204 10 0 GGAERM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1 ZINC000548568771 567330744 /nfs/dbraw/zinc/33/07/44/567330744.db2.gz ZWAUUWOYTSVUMX-ZIAGYGMSSA-N -1 0 390.299 3.151 10 0 GGAERM O=C([O-])[C@H](Cc1c(F)cccc1Cl)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000548567279 567330798 /nfs/dbraw/zinc/33/07/98/567330798.db2.gz DZNWNSKBQSSLOK-AWEZNQCLSA-N -1 0 392.235 3.107 10 0 GGAERM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000548568947 567330841 /nfs/dbraw/zinc/33/08/41/567330841.db2.gz BZQPIDRLOITHMB-AWEZNQCLSA-N -1 0 388.536 3.300 10 0 GGAERM O=C([O-])[C@@H](Cc1c(F)cccc1Cl)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000548567280 567331114 /nfs/dbraw/zinc/33/11/14/567331114.db2.gz DZNWNSKBQSSLOK-CQSZACIVSA-N -1 0 392.235 3.107 10 0 GGAERM O=C([O-])[C@H](NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1)c1cccc(F)c1 ZINC000548572240 567332041 /nfs/dbraw/zinc/33/20/41/567332041.db2.gz RECVVOCVQFHUCW-CQSZACIVSA-N -1 0 392.235 3.378 10 0 GGAERM Cc1ccsc1S(=O)(=O)N1[C@@H](CCc2ccccc2)SC[C@H]1C(=O)[O-] ZINC000548575090 567332458 /nfs/dbraw/zinc/33/24/58/567332458.db2.gz BNZMNTSUKFPPJZ-LSDHHAIUSA-N -1 0 397.543 3.206 10 0 GGAERM Cc1cc(S(=O)(=O)N[C@H]2CCCN(C)c3ccccc32)sc1C(=O)[O-] ZINC000568486008 567333110 /nfs/dbraw/zinc/33/31/10/567333110.db2.gz NJQOVOHUASFSOX-ZDUSSCGKSA-N -1 0 380.491 3.004 10 0 GGAERM O=C([O-])[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000548587805 567333407 /nfs/dbraw/zinc/33/34/07/567333407.db2.gz CKHODXQWVFBMIM-LBPRGKRZSA-N -1 0 396.198 3.376 10 0 GGAERM Cc1c(Cl)cccc1S(=O)(=O)N(C)[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000548579353 567333819 /nfs/dbraw/zinc/33/38/19/567333819.db2.gz QUNYQFBWLCDTEX-OAHLLOKOSA-N -1 0 389.807 3.373 10 0 GGAERM CCc1cc(C(=O)OC)c([N-]S(=O)(=O)CCCC2CCOCC2)s1 ZINC000592383958 567335467 /nfs/dbraw/zinc/33/54/67/567335467.db2.gz YJPLDJFHVSHALB-UHFFFAOYSA-N -1 0 375.512 3.046 10 0 GGAERM CC(C)=CCSC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000548595053 567335887 /nfs/dbraw/zinc/33/58/87/567335887.db2.gz LEXJALVTYFBONV-LBPRGKRZSA-N -1 0 397.440 3.136 10 0 GGAERM O=C(N[C@@H](CCO)c1cccc(C(F)(F)F)c1)c1s[n-]c(=O)c1Cl ZINC000456058296 567336228 /nfs/dbraw/zinc/33/62/28/567336228.db2.gz JPGSEQFXHFIHQK-VIFPVBQESA-N -1 0 380.775 3.374 10 0 GGAERM CC(C)=CCSC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000548595296 567336405 /nfs/dbraw/zinc/33/64/05/567336405.db2.gz YFEOQVWBVGXXGE-LLVKDONJSA-N -1 0 398.333 3.424 10 0 GGAERM CC(C)=CCSC[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000548595317 567336471 /nfs/dbraw/zinc/33/64/71/567336471.db2.gz YFEOQVWBVGXXGE-NSHDSACASA-N -1 0 398.333 3.424 10 0 GGAERM C[C@@H](NC(=O)N[C@]1(C(=O)[O-])CCSC1)c1nc(-c2ccccc2)cs1 ZINC000568586162 567340241 /nfs/dbraw/zinc/34/02/41/567340241.db2.gz NUOCPXQBAAFIMX-PIGZYNQJSA-N -1 0 377.491 3.131 10 0 GGAERM O=C([O-])[C@H](NC(=O)NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000568599175 567341561 /nfs/dbraw/zinc/34/15/61/567341561.db2.gz LJIZAMIMPOZDLG-LLVKDONJSA-N -1 0 395.175 3.130 10 0 GGAERM CCCc1c([N-]S(=O)(=O)c2c[nH]c(=O)s2)cnn1-c1ccccc1C ZINC000568592245 567341694 /nfs/dbraw/zinc/34/16/94/567341694.db2.gz PSKGUZDDHRYCQC-UHFFFAOYSA-N -1 0 378.479 3.096 10 0 GGAERM CSc1nc(=NC(=O)N[C@@H](C)Cc2ccc(Br)cc2)s[n-]1 ZINC000476637722 567341741 /nfs/dbraw/zinc/34/17/41/567341741.db2.gz RLQBHJPGWAJOQL-QMMMGPOBSA-N -1 0 387.328 3.197 10 0 GGAERM CCN(CC)c1nc2sc(C(=O)N3CC[C@H](C)[C@H](C(=O)[O-])C3)cc2s1 ZINC000568632321 567344565 /nfs/dbraw/zinc/34/45/65/567344565.db2.gz OKKAKOHXMBOEQY-WDEREUQCSA-N -1 0 381.523 3.387 10 0 GGAERM CCCc1n[n-]c(=NC(=O)N2CCc3ccc(F)c(Br)c3C2)s1 ZINC000527595349 567346354 /nfs/dbraw/zinc/34/63/54/567346354.db2.gz QBBBUKHNDHISBC-UHFFFAOYSA-N -1 0 399.289 3.404 10 0 GGAERM Cc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(=O)N(C)CC(F)(F)F)c(C)c1 ZINC000548764198 567348430 /nfs/dbraw/zinc/34/84/30/567348430.db2.gz CITUYGFETWIUCU-STQMWFEESA-N -1 0 376.400 3.418 10 0 GGAERM Cc1cc(NS(=O)(=O)Cc2ccccc2Br)ccc1C(=O)[O-] ZINC000548769147 567349749 /nfs/dbraw/zinc/34/97/49/567349749.db2.gz QOGDPXSEFXYFLE-UHFFFAOYSA-N -1 0 384.251 3.398 10 0 GGAERM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1c(F)cc(F)cc1F ZINC000568785330 567356085 /nfs/dbraw/zinc/35/60/85/567356085.db2.gz DDGXJVLNOYORIJ-VIFPVBQESA-N -1 0 376.303 3.142 10 0 GGAERM CCn1cnc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)c1 ZINC000476935802 567358928 /nfs/dbraw/zinc/35/89/28/567358928.db2.gz DOCUZDWWWIOXTP-UHFFFAOYSA-N -1 0 382.898 3.405 10 0 GGAERM O=C(N=c1ccc(-c2ccc(Br)s2)n[n-]1)NC1(C(F)F)CC1 ZINC000548877806 567358973 /nfs/dbraw/zinc/35/89/73/567358973.db2.gz CWNUZINRJJRHGE-UHFFFAOYSA-N -1 0 389.225 3.309 10 0 GGAERM CCN([C@H](C(=O)[O-])C(C)C)S(=O)(=O)c1c(Cl)cccc1Br ZINC000548876056 567359036 /nfs/dbraw/zinc/35/90/36/567359036.db2.gz LADFWWZQFPPQQN-NSHDSACASA-N -1 0 398.706 3.222 10 0 GGAERM CCc1cccc(S(=O)(=O)N[C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c1 ZINC000568822800 567359156 /nfs/dbraw/zinc/35/91/56/567359156.db2.gz MAWLMGILHKWPQJ-INIZCTEOSA-N -1 0 385.844 3.016 10 0 GGAERM CC1(C)SC[C@H]1NC(=O)N=c1[n-]nc(-c2cccc(Br)c2)s1 ZINC000548982108 567364310 /nfs/dbraw/zinc/36/43/10/567364310.db2.gz RXMCUUIEFJHHLE-SNVBAGLBSA-N -1 0 399.339 3.405 10 0 GGAERM CC[C@@H](NC(=O)N=c1[n-]nc(OC)s1)c1cc(F)cc(Br)c1 ZINC000549002122 567367341 /nfs/dbraw/zinc/36/73/41/567367341.db2.gz NWDNNIYYTFSVJE-SNVBAGLBSA-N -1 0 389.250 3.143 10 0 GGAERM COc1n[n-]c(=NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)s1 ZINC000549001777 567367405 /nfs/dbraw/zinc/36/74/05/567367405.db2.gz KXHQLJSENQESEW-UHFFFAOYSA-N -1 0 399.206 3.199 10 0 GGAERM CC1(C)CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)[C@@H](C(=O)[O-])C1 ZINC000568950072 567367541 /nfs/dbraw/zinc/36/75/41/567367541.db2.gz DZKWFLDUYQVJMR-CYBMUJFWSA-N -1 0 379.400 3.055 10 0 GGAERM C[C@H](Cc1cc(Br)ccc1F)N=c1[n-]c(C2CCOCC2)no1 ZINC000568969515 567369696 /nfs/dbraw/zinc/36/96/96/567369696.db2.gz GKLCYLCEBWFGAG-SNVBAGLBSA-N -1 0 384.249 3.330 10 0 GGAERM CCN(CCc1nccs1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000569128294 567380573 /nfs/dbraw/zinc/38/05/73/567380573.db2.gz HVODHJWYKHOWAM-UHFFFAOYSA-N -1 0 382.507 3.218 10 0 GGAERM Cn1ccnc1-c1cc(=NC(=O)CSCc2ccc(Cl)cc2Cl)[nH][n-]1 ZINC000435716543 567384135 /nfs/dbraw/zinc/38/41/35/567384135.db2.gz GQYVEVHCMQGGPH-UHFFFAOYSA-N -1 0 396.303 3.411 10 0 GGAERM CCO[C@@H]1C[C@@H](N=c2[n-]nc(-c3ccccc3Cl)s2)[C@@H]1n1cccn1 ZINC000549283885 567384312 /nfs/dbraw/zinc/38/43/12/567384312.db2.gz FKAXJULBXHXZHV-KFWWJZLASA-N -1 0 375.885 3.308 10 0 GGAERM Cc1[nH]c2ccc(Br)cc2c1CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000435708733 567384562 /nfs/dbraw/zinc/38/45/62/567384562.db2.gz AGCCXBGJEQJVFH-PWSUYJOCSA-N -1 0 379.254 3.151 10 0 GGAERM Cn1ccnc1-c1cc(=NC(=O)c2cc(Br)cc3ccccc32)[nH][n-]1 ZINC000435716087 567384737 /nfs/dbraw/zinc/38/47/37/567384737.db2.gz ZJFKSFDKPAHGNK-UHFFFAOYSA-N -1 0 396.248 3.400 10 0 GGAERM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435720827 567385806 /nfs/dbraw/zinc/38/58/06/567385806.db2.gz FFKZIBAVHCQSIC-UHFFFAOYSA-N -1 0 375.212 3.284 10 0 GGAERM O=C([O-])[C@H](c1cccc(Br)c1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000569238444 567389246 /nfs/dbraw/zinc/38/92/46/567389246.db2.gz QHDJNVZJNOQQST-BPUTZDHNSA-N -1 0 396.306 3.344 10 0 GGAERM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 ZINC000569322506 567396471 /nfs/dbraw/zinc/39/64/71/567396471.db2.gz GDOMYURMAFHYIP-AWEZNQCLSA-N -1 0 375.437 3.431 10 0 GGAERM O=C([O-])CC1(Nc2ncnc3cccc(I)c32)CCC1 ZINC000593329082 567407861 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O=S(=O)([N-]c1nnc(-c2cccs2)o1)c1cnccc1C(F)(F)F ZINC000481858906 566257291 /nfs/dbraw/zinc/25/72/91/566257291.db2.gz VTCMXAJQXPIWCD-UHFFFAOYSA-N -1 0 376.341 3.013 10 0 GGAERM COC(=O)c1ccc(S(=O)(=O)[N-]c2nnc(-c3cccs3)o2)cc1Cl ZINC000481845831 566258086 /nfs/dbraw/zinc/25/80/86/566258086.db2.gz IHPGJWBFZOXIGB-UHFFFAOYSA-N -1 0 399.837 3.039 10 0 GGAERM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000481873541 566259621 /nfs/dbraw/zinc/25/96/21/566259621.db2.gz WIKSVJFUARIJDI-UHFFFAOYSA-N -1 0 381.519 3.324 10 0 GGAERM CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)C[C@@H](C)OC ZINC000509098199 566263011 /nfs/dbraw/zinc/26/30/11/566263011.db2.gz JUXPZIGQJXYONR-MRVPVSSYSA-N -1 0 386.695 3.278 10 0 GGAERM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1c(Cl)ccc(F)c1F ZINC000555947207 566263444 /nfs/dbraw/zinc/26/34/44/566263444.db2.gz HYTFGJFQYMADFV-UHFFFAOYSA-N -1 0 383.807 3.282 10 0 GGAERM O=C(N=c1[n-]nc(-c2c(F)cccc2Cl)s1)NCC1(CCO)CCC1 ZINC000481909679 566263458 /nfs/dbraw/zinc/26/34/58/566263458.db2.gz OKGHHWNMCUTPIX-UHFFFAOYSA-N -1 0 384.864 3.094 10 0 GGAERM COCCS(=O)(=O)[N-]c1nc2c(cc(Br)cc2Cl)s1 ZINC000575320869 566265563 /nfs/dbraw/zinc/26/55/63/566265563.db2.gz KTCQJPIRSURUOL-UHFFFAOYSA-N -1 0 385.692 3.100 10 0 GGAERM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C(F)(F)C2)c1 ZINC000575364588 566267580 /nfs/dbraw/zinc/26/75/80/566267580.db2.gz YCSMGHVOGGTQMX-NSHDSACASA-N -1 0 381.828 3.194 10 0 GGAERM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C(F)(F)C2)c1 ZINC000575364587 566268213 /nfs/dbraw/zinc/26/82/13/566268213.db2.gz YCSMGHVOGGTQMX-LLVKDONJSA-N -1 0 381.828 3.194 10 0 GGAERM COC(=O)c1sccc1S(=O)(=O)NCc1ccccc1CC(F)(F)F ZINC000599519060 566271662 /nfs/dbraw/zinc/27/16/62/566271662.db2.gz XXVOCQHHINIZQD-UHFFFAOYSA-N -1 0 393.408 3.118 10 0 GGAERM COc1n[n-]c(=NC(=O)N(C)Cc2ccc(Br)cc2Cl)s1 ZINC000575432685 566272176 /nfs/dbraw/zinc/27/21/76/566272176.db2.gz OKLFQWVKQSOMLK-UHFFFAOYSA-N -1 0 391.678 3.048 10 0 GGAERM CCS[C@H]1CCC[C@@H]1NC(=O)N=c1[n-]nc(-c2ccc(OC)cc2)s1 ZINC000481974865 566272518 /nfs/dbraw/zinc/27/25/18/566272518.db2.gz TXUZEFUPHHGRMK-KBPBESRZSA-N -1 0 378.523 3.431 10 0 GGAERM COc1ccnc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509201852 566274327 /nfs/dbraw/zinc/27/43/27/566274327.db2.gz GKWLUBCVKIJQOG-UHFFFAOYSA-N -1 0 377.647 3.307 10 0 GGAERM CCO[C@H](CS(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)(F)F)C1CC1 ZINC000625113031 566278114 /nfs/dbraw/zinc/27/81/14/566278114.db2.gz BWSBVGDHIBTXSO-CVEARBPZSA-N -1 0 379.444 3.285 10 0 GGAERM CC(C)(C)n1cnc([N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509221192 566279577 /nfs/dbraw/zinc/27/95/77/566279577.db2.gz XBWILLRRBJJYDZ-UHFFFAOYSA-N -1 0 393.694 3.250 10 0 GGAERM Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2Br)o1 ZINC000509233220 566280672 /nfs/dbraw/zinc/28/06/72/566280672.db2.gz ANVOYYVHBPWKFL-UHFFFAOYSA-N -1 0 396.060 3.309 10 0 GGAERM O=C([O-])C[C@H](NS(=O)(=O)CC1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000575739222 566280844 /nfs/dbraw/zinc/28/08/44/566280844.db2.gz UDJYYVROAABBMW-AWEZNQCLSA-N -1 0 379.400 3.331 10 0 GGAERM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nn1 ZINC000509238098 566282283 /nfs/dbraw/zinc/28/22/83/566282283.db2.gz VQRRUPLALBUCMF-UHFFFAOYSA-N -1 0 375.372 3.392 10 0 GGAERM Cc1c(S(=O)(=O)[N-]c2ccc(Br)cn2)c2ccccc2n1C ZINC000556303775 566283391 /nfs/dbraw/zinc/28/33/91/566283391.db2.gz JWKGNNYWVOJTOK-UHFFFAOYSA-N -1 0 380.267 3.445 10 0 GGAERM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(=O)N3)c1 ZINC000556347380 566288839 /nfs/dbraw/zinc/28/88/39/566288839.db2.gz WNWQOPQJYJHIFW-UHFFFAOYSA-N -1 0 380.853 3.424 10 0 GGAERM COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C)sc3C)cn2)cc1 ZINC000556351626 566289067 /nfs/dbraw/zinc/28/90/67/566289067.db2.gz DKKSKTACIAPQKH-UHFFFAOYSA-N -1 0 377.491 3.419 10 0 GGAERM CO[C@H](CS(=O)(=O)[N-][C@@H](c1nccs1)C(F)(F)F)c1ccc(F)cc1 ZINC000625230234 566292109 /nfs/dbraw/zinc/29/21/09/566292109.db2.gz KFQDFKGDBSPLKW-NEPJUHHUSA-N -1 0 398.403 3.193 10 0 GGAERM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1F ZINC000509350908 566293033 /nfs/dbraw/zinc/29/30/33/566293033.db2.gz MYGDRVUZOHQUON-UHFFFAOYSA-N -1 0 381.322 3.259 10 0 GGAERM Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)s[n-]1 ZINC000575849661 566293030 /nfs/dbraw/zinc/29/30/30/566293030.db2.gz OKRCDWOTKPRJRX-QWHCGFSZSA-N -1 0 378.523 3.277 10 0 GGAERM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000509390482 566298098 /nfs/dbraw/zinc/29/80/98/566298098.db2.gz WYBSJAAAUVBRSS-UHFFFAOYSA-N -1 0 380.369 3.058 10 0 GGAERM CCn1cnc(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c1 ZINC000509397209 566298432 /nfs/dbraw/zinc/29/84/32/566298432.db2.gz RLZWVEFRKVERHC-UHFFFAOYSA-N -1 0 381.255 3.015 10 0 GGAERM O=S(=O)([N-]c1nnc(C2CCOCC2)s1)c1c(F)cccc1Cl ZINC000575955260 566301092 /nfs/dbraw/zinc/30/10/92/566301092.db2.gz XMTYZHUMRYACQG-UHFFFAOYSA-N -1 0 377.850 3.025 10 0 GGAERM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cncc(OC(C)C)c2)C(F)(F)F)o1 ZINC000625271976 566301730 /nfs/dbraw/zinc/30/17/30/566301730.db2.gz PTVACNRJGBYRLD-CQSZACIVSA-N -1 0 378.372 3.352 10 0 GGAERM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3ncc(-c4ccccn4)s3)cn21 ZINC000575971648 566302787 /nfs/dbraw/zinc/30/27/87/566302787.db2.gz LTUNDOAZFPVVTH-LLVKDONJSA-N -1 0 375.479 3.100 10 0 GGAERM CC1(C)C[C@H](S(=O)(=O)[N-]CC(F)(F)c2ccc(Br)cc2)CO1 ZINC000625297806 566302844 /nfs/dbraw/zinc/30/28/44/566302844.db2.gz ASCYJKPRQWWZOZ-LBPRGKRZSA-N -1 0 398.269 3.028 10 0 GGAERM CC1(C)C[C@@H](S(=O)(=O)[N-]CC(F)(F)c2ccc(Br)cc2)CO1 ZINC000625297803 566303288 /nfs/dbraw/zinc/30/32/88/566303288.db2.gz ASCYJKPRQWWZOZ-GFCCVEGCSA-N -1 0 398.269 3.028 10 0 GGAERM COCC1(CCNC(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)CC1 ZINC000575985886 566303613 /nfs/dbraw/zinc/30/36/13/566303613.db2.gz CLDYOWFRNDCYSA-UHFFFAOYSA-N -1 0 384.864 3.358 10 0 GGAERM CCc1nn(C)cc1C[NH2+][C@H](c1ccc(Br)cc1)[C@H](C)C(=O)[O-] ZINC000669480719 566307105 /nfs/dbraw/zinc/30/71/05/566307105.db2.gz VRBQGITZTQTVKJ-ZBEGNZNMSA-N -1 0 380.286 3.297 10 0 GGAERM O=C(N=c1[n-]nc(-c2ccsc2)s1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000556570236 566314958 /nfs/dbraw/zinc/31/49/58/566314958.db2.gz OIZZTJDRQAXZEC-MCIONIFRSA-N -1 0 378.523 3.236 10 0 GGAERM CO[C@@H](C)c1nc(=NC(C)(C)COc2ccc(C(F)(F)F)cn2)s[n-]1 ZINC000509552754 566316385 /nfs/dbraw/zinc/31/63/85/566316385.db2.gz LPXZYTJXMATZHM-VIFPVBQESA-N -1 0 376.404 3.351 10 0 GGAERM CO[C@H](C)c1nc(=Nc2cnn(-c3ccccc3Br)c2)s[n-]1 ZINC000509585982 566317594 /nfs/dbraw/zinc/31/75/94/566317594.db2.gz YADRTWHWGLIWGM-SECBINFHSA-N -1 0 380.271 3.359 10 0 GGAERM CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000509580700 566317922 /nfs/dbraw/zinc/31/79/22/566317922.db2.gz ZLVDCCLUWDIOIX-UHFFFAOYSA-N -1 0 387.816 3.465 10 0 GGAERM O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000576167083 566321364 /nfs/dbraw/zinc/32/13/64/566321364.db2.gz OZNRKKULSCUUEZ-ZDUSSCGKSA-N -1 0 392.175 3.164 10 0 GGAERM CCN(C(=O)N=c1ncn(C)[n-]1)[C@H]1CCSc2ccc(Br)cc21 ZINC000556662669 566321550 /nfs/dbraw/zinc/32/15/50/566321550.db2.gz UOMXXQRIXMCLCN-LBPRGKRZSA-N -1 0 396.314 3.090 10 0 GGAERM CCN(C(=O)N=c1ncn(C)[n-]1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000556662668 566321564 /nfs/dbraw/zinc/32/15/64/566321564.db2.gz UOMXXQRIXMCLCN-GFCCVEGCSA-N -1 0 396.314 3.090 10 0 GGAERM COc1ccccc1N=c1[n-]nc(Sc2nc([C@@H](C)OC)ns2)s1 ZINC000509637474 566322118 /nfs/dbraw/zinc/32/21/18/566322118.db2.gz GWGCLENQPPQLDG-MRVPVSSYSA-N -1 0 381.508 3.422 10 0 GGAERM C[C@@H]1CN(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)[C@@H](C)[C@H](C)O1 ZINC000446021851 566324261 /nfs/dbraw/zinc/32/42/61/566324261.db2.gz UQTBBVDXXVYNOX-AGIUHOORSA-N -1 0 378.523 3.282 10 0 GGAERM C[C@@H]1CN(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)[C@H](C)[C@@H](C)O1 ZINC000446021853 566324630 /nfs/dbraw/zinc/32/46/30/566324630.db2.gz UQTBBVDXXVYNOX-JHJVBQTASA-N -1 0 378.523 3.282 10 0 GGAERM CC(C)[C@@H](C(=O)[O-])[S@@](=O)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000556711726 566324732 /nfs/dbraw/zinc/32/47/32/566324732.db2.gz HZXQQXBDKCOBNL-VDBVYFBLSA-N -1 0 376.356 3.113 10 0 GGAERM COc1cc(Br)ccc1[C@H](C)NC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000556708151 566325064 /nfs/dbraw/zinc/32/50/64/566325064.db2.gz HCWFFJARZJPIDU-SUNKGSAMSA-N -1 0 399.285 3.413 10 0 GGAERM CO[C@H](C)c1nc(=NCCC(=O)Nc2cc(Br)ccc2C)s[n-]1 ZINC000509669229 566326464 /nfs/dbraw/zinc/32/64/64/566326464.db2.gz TZJLCTXNLYCTEB-SNVBAGLBSA-N -1 0 399.314 3.179 10 0 GGAERM COc1ccc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)[n-]n1 ZINC000556726107 566326839 /nfs/dbraw/zinc/32/68/39/566326839.db2.gz KLJAGMHKEIRGIH-CYBMUJFWSA-N -1 0 377.242 3.039 10 0 GGAERM COc1ccc(Cl)cc1CN1CCN(c2nc(C(=O)[O-])c(C)s2)CC1 ZINC000576230620 566326983 /nfs/dbraw/zinc/32/69/83/566326983.db2.gz IQLWNXZDFBXZIK-UHFFFAOYSA-N -1 0 381.885 3.134 10 0 GGAERM O=C([O-])[C@]1(CC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CCSC1 ZINC000669774950 566327431 /nfs/dbraw/zinc/32/74/31/566327431.db2.gz YBQBLEWQKOFGOR-AWEZNQCLSA-N -1 0 381.347 3.303 10 0 GGAERM O=C(CCCc1cccc(Br)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000648888393 566327872 /nfs/dbraw/zinc/32/78/72/566327872.db2.gz SHWGCQOASTYIBO-UHFFFAOYSA-N -1 0 393.285 3.002 10 0 GGAERM 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