smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cccc(N2CC(=O)C(C(=O)NCCNc3cnccn3)=N2)c1 ZINC000531226651 887940283 /nfs/dbraw/zinc/94/02/83/887940283.db2.gz FIVDJAHWHJNXTB-UHFFFAOYSA-N 0 2 366.425 2.333 20 0 FEADLN COc1ccc(-c2n[nH]c(NC(=O)c3nc(C)ncc3Cl)n2)c(OC)c1 ZINC000525374155 888948513 /nfs/dbraw/zinc/94/85/13/888948513.db2.gz QWLDYMTUSAXXTI-UHFFFAOYSA-N 0 2 374.788 2.493 20 0 FEADLN CC[C@](NC(=O)NCCc1cn2c([nH+]1)CCCC2)(C(=O)[O-])c1ccccc1 ZINC000908846323 939334406 /nfs/dbraw/zinc/33/44/06/939334406.db2.gz LNHDLXJWAPUPDA-HXUWFJFHSA-N 0 2 370.453 2.451 20 0 FEADLN CCO[C@H]1C[C@@](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])C1(C)C ZINC000909604398 939721561 /nfs/dbraw/zinc/72/15/61/939721561.db2.gz TWCBGOOQELNNPU-OXJNMPFZSA-N 0 2 371.437 2.189 20 0 FEADLN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000027598254 539812078 /nfs/dbraw/zinc/81/20/78/539812078.db2.gz UWFDZTIQQQTADQ-UHFFFAOYSA-N 0 2 374.871 2.439 20 0 FEADLN CS(=O)(=O)Nc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000028250227 539829257 /nfs/dbraw/zinc/82/92/57/539829257.db2.gz OHMGNSALAGDDPC-UHFFFAOYSA-N 0 2 362.379 2.137 20 0 FEADLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NCC3)c(Cl)n1 ZINC000800836733 674080989 /nfs/dbraw/zinc/08/09/89/674080989.db2.gz UCQJNRCBYVPCGG-UHFFFAOYSA-N 0 2 351.815 2.130 20 0 FEADLN O=S(=O)(Nc1ccc(Br)nc1)c1cccc2c1OCO2 ZINC000800839077 674081320 /nfs/dbraw/zinc/08/13/20/674081320.db2.gz UWVIHSHBOPPMEV-UHFFFAOYSA-N 0 2 357.185 2.374 20 0 FEADLN COc1ccc(Br)cc1S(=O)(=O)Nc1nncs1 ZINC000037575539 539997412 /nfs/dbraw/zinc/99/74/12/539997412.db2.gz LIGGANLLVJPGTK-UHFFFAOYSA-N 0 2 350.219 2.110 20 0 FEADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000550144838 674083583 /nfs/dbraw/zinc/08/35/83/674083583.db2.gz YQJIOQIRVNUSMU-UHFFFAOYSA-N 0 2 357.317 2.411 20 0 FEADLN COCCCn1c(=O)c2ccc(C(=O)NCC3CCC3)cc2[nH]c1=S ZINC000042056855 540049236 /nfs/dbraw/zinc/04/92/36/540049236.db2.gz JPTZKJFOEIBXPQ-UHFFFAOYSA-N 0 2 361.467 2.252 20 0 FEADLN COc1cccc(N2C[C@H](NC(=O)N=c3ccc(C4CC4)n[nH]3)CC2=O)c1 ZINC000532563773 540173181 /nfs/dbraw/zinc/17/31/81/540173181.db2.gz ICIYNOUCYMJADN-CYBMUJFWSA-N 0 2 367.409 2.290 20 0 FEADLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)N1CCN(C(=O)C2CC2)CC1 ZINC000533314976 540230547 /nfs/dbraw/zinc/23/05/47/540230547.db2.gz XHZDJBYTQKRIGY-UHFFFAOYSA-N 0 2 351.410 2.230 20 0 FEADLN CS(=O)(=O)Nc1nnc(NC(=O)CCc2ccccc2Cl)s1 ZINC000047293329 540302381 /nfs/dbraw/zinc/30/23/81/540302381.db2.gz YNOYHSRVHHBZCL-UHFFFAOYSA-N 0 2 360.848 2.134 20 0 FEADLN O=C(CS(=O)(=O)c1nc2ccccc2[nH]1)Nc1cc(F)ccc1F ZINC000047939883 540335488 /nfs/dbraw/zinc/33/54/88/540335488.db2.gz KWUZOTYPDDHOER-UHFFFAOYSA-N 0 2 351.334 2.254 20 0 FEADLN C[C@H](CO)CNc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 ZINC000053584234 540544844 /nfs/dbraw/zinc/54/48/44/540544844.db2.gz BUZAIHKHRFMLNF-ZDUSSCGKSA-N 0 2 372.450 2.471 20 0 FEADLN O=C1NCCN1c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000054319822 540583554 /nfs/dbraw/zinc/58/35/54/540583554.db2.gz NBVNEKCBAKDFBB-UHFFFAOYSA-N 0 2 371.340 2.434 20 0 FEADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000055663719 540668630 /nfs/dbraw/zinc/66/86/30/540668630.db2.gz DRMSOVDMNOUDGQ-UHFFFAOYSA-N 0 2 370.434 2.092 20 0 FEADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(NC2CC2)nc1 ZINC000057196413 540777742 /nfs/dbraw/zinc/77/77/42/540777742.db2.gz KAHFONUZKVIKSK-UHFFFAOYSA-N 0 2 355.423 2.226 20 0 FEADLN Cc1ccc(NS(=O)(=O)c2cccs2)c(OCC(=O)N(C)C)c1 ZINC000057124363 540769868 /nfs/dbraw/zinc/76/98/68/540769868.db2.gz VQXCLTNKSNSCLB-UHFFFAOYSA-N 0 2 354.453 2.324 20 0 FEADLN Cc1c2ccccc2oc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000057268510 540783637 /nfs/dbraw/zinc/78/36/37/540783637.db2.gz QSLSESUZWQNKED-UHFFFAOYSA-N 0 2 352.397 2.217 20 0 FEADLN CS(=O)(=O)Nc1nnc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)s1 ZINC000057269314 540783966 /nfs/dbraw/zinc/78/39/66/540783966.db2.gz HFUZAMNRLQCQPC-UHFFFAOYSA-N 0 2 371.831 2.297 20 0 FEADLN CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1 ZINC000057786430 540815342 /nfs/dbraw/zinc/81/53/42/540815342.db2.gz XPDGQYYFWFLSFU-UHFFFAOYSA-N 0 2 374.378 2.066 20 0 FEADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(CC)c3)sc2C1 ZINC000066255043 541295006 /nfs/dbraw/zinc/29/50/06/541295006.db2.gz CHYONACVOCGOJB-NSHDSACASA-N 0 2 354.501 3.065 20 0 FEADLN COc1ccccc1S(=O)(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000066248616 541295334 /nfs/dbraw/zinc/29/53/34/541295334.db2.gz CQSBWUBPZPXJPJ-UHFFFAOYSA-N 0 2 367.496 2.938 20 0 FEADLN CC(C)(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)[nH]1 ZINC000542296646 541376943 /nfs/dbraw/zinc/37/69/43/541376943.db2.gz RRMDXEGTDRZSBB-HNNXBMFYSA-N 0 2 373.432 2.344 20 0 FEADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccn(CC(=O)OC)n2)cc1 ZINC000067899426 541526264 /nfs/dbraw/zinc/52/62/64/541526264.db2.gz XOJUVXQFKLUAEQ-GFCCVEGCSA-N 0 2 351.428 2.370 20 0 FEADLN COc1ccccc1[C@H]1CCCN1C(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000543257756 541560979 /nfs/dbraw/zinc/56/09/79/541560979.db2.gz YSRUABDWHVRWEE-CQSZACIVSA-N 0 2 371.441 2.344 20 0 FEADLN CC(C)(C)n1cnc(=NC(=O)C(=O)N2CCc3c(Cl)cccc3C2)[nH]1 ZINC000543219245 541552705 /nfs/dbraw/zinc/55/27/05/541552705.db2.gz WIDSNUMCPQHXJG-UHFFFAOYSA-N 0 2 361.833 2.210 20 0 FEADLN Cc1nnnn1-c1cc(NS(=O)(=O)c2cc(C)ccc2F)ccc1F ZINC000068716525 541622173 /nfs/dbraw/zinc/62/21/73/541622173.db2.gz QKWXBAHELMNXSQ-UHFFFAOYSA-N 0 2 365.365 2.358 20 0 FEADLN CC(C)(C)n1cnc(=NC(=O)C(=O)N2CCC[C@H]2c2cccc(F)c2)[nH]1 ZINC000544168615 541728367 /nfs/dbraw/zinc/72/83/67/541728367.db2.gz OPVGSISYNRZPRT-AWEZNQCLSA-N 0 2 359.405 2.474 20 0 FEADLN COC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000070774996 541742851 /nfs/dbraw/zinc/74/28/51/541742851.db2.gz HTDMNOBVONVMET-UHFFFAOYSA-N 0 2 357.391 2.460 20 0 FEADLN O=S(=O)(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1cn[nH]c1 ZINC000551113886 674124955 /nfs/dbraw/zinc/12/49/55/674124955.db2.gz LAQXDCJJYADLPX-UHFFFAOYSA-N 0 2 360.411 2.388 20 0 FEADLN NC(=O)COC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O ZINC000801380317 674125135 /nfs/dbraw/zinc/12/51/35/674125135.db2.gz IOTKVWCEFSLKPL-UHFFFAOYSA-N 0 2 364.572 2.180 20 0 FEADLN O=S(=O)(Nc1nc(CN2CCCCC2)cs1)c1cccc(F)c1 ZINC000074393578 542079282 /nfs/dbraw/zinc/07/92/82/542079282.db2.gz AESNSICEMFDQOJ-UHFFFAOYSA-N 0 2 355.460 3.069 20 0 FEADLN CC[C@@](C)(O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000075222917 542161386 /nfs/dbraw/zinc/16/13/86/542161386.db2.gz RYNOOEHPDPNLHG-MRXNPFEDSA-N 0 2 368.480 2.440 20 0 FEADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c(C)c1 ZINC000551415561 674143675 /nfs/dbraw/zinc/14/36/75/674143675.db2.gz WCKTVPQUZCVJKZ-UHFFFAOYSA-N 0 2 361.423 2.325 20 0 FEADLN O=C(CO)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000076642565 542304635 /nfs/dbraw/zinc/30/46/35/542304635.db2.gz YDKVRNATGQAMDF-UHFFFAOYSA-N 0 2 358.778 2.211 20 0 FEADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000077710583 542410889 /nfs/dbraw/zinc/41/08/89/542410889.db2.gz MAEKJIQKCNGIPT-UHFFFAOYSA-N 0 2 356.350 2.134 20 0 FEADLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cnn(CC)c3)ccc21 ZINC000091021126 542791055 /nfs/dbraw/zinc/79/10/55/542791055.db2.gz LFBSKRLKTRMZCE-UHFFFAOYSA-N 0 2 362.455 2.393 20 0 FEADLN Cc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2ccncc2)cc1 ZINC000092870185 542892994 /nfs/dbraw/zinc/89/29/94/542892994.db2.gz MCOVXGUNJFNKIT-UHFFFAOYSA-N 0 2 365.422 2.341 20 0 FEADLN COC(=O)c1c(C)[nH]c(C(=O)CS(=O)(=O)Cc2ccc(F)cc2)c1C ZINC000098151052 543023881 /nfs/dbraw/zinc/02/38/81/543023881.db2.gz SFHFATQCYZAQDW-UHFFFAOYSA-N 0 2 367.398 2.355 20 0 FEADLN C[C@@H](CC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1)NC(=O)C1CCCC1 ZINC000103521815 543113747 /nfs/dbraw/zinc/11/37/47/543113747.db2.gz NBTPJRCBSDVELK-NSHDSACASA-N 0 2 358.398 2.053 20 0 FEADLN CCn1cc(S(=O)(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000109424500 543324882 /nfs/dbraw/zinc/32/48/82/543324882.db2.gz XFWVUEHSRIRQCH-KBPBESRZSA-N 0 2 364.471 2.317 20 0 FEADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1n[nH]c(=O)c2ccccc21 ZINC000109625381 543329180 /nfs/dbraw/zinc/32/91/80/543329180.db2.gz BQTVHUZYNLZXOJ-UHFFFAOYSA-N 0 2 350.313 2.100 20 0 FEADLN CCc1ccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)cc2)s1 ZINC000109424645 543324631 /nfs/dbraw/zinc/32/46/31/543324631.db2.gz IFANAQDJSWQLJD-UHFFFAOYSA-N 0 2 365.480 2.048 20 0 FEADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)c1 ZINC000112266597 543436880 /nfs/dbraw/zinc/43/68/80/543436880.db2.gz CGWQGUABHRYUHY-NSHDSACASA-N 0 2 371.846 2.382 20 0 FEADLN CCOC(=O)c1cc(S(=O)(=O)Nc2noc(C(C)C)n2)ccc1C ZINC000551951405 674175633 /nfs/dbraw/zinc/17/56/33/674175633.db2.gz HWRHUTSSHLDHKN-UHFFFAOYSA-N 0 2 353.400 2.479 20 0 FEADLN Cc1noc(C)c1[C@H](C)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000113977235 543500397 /nfs/dbraw/zinc/50/03/97/543500397.db2.gz XYLOTSRZEVXGAA-QMMMGPOBSA-N 0 2 361.427 2.492 20 0 FEADLN O=C(c1cnc(-c2ccncc2)s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552015447 674181872 /nfs/dbraw/zinc/18/18/72/674181872.db2.gz SNNDVMDQSYRGFL-UHFFFAOYSA-N 0 2 356.411 2.049 20 0 FEADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc21 ZINC000115927576 543594239 /nfs/dbraw/zinc/59/42/39/543594239.db2.gz DZJCBVCOCJJPTA-UHFFFAOYSA-N 0 2 351.815 2.445 20 0 FEADLN NC(=O)CCn1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000117740257 543638751 /nfs/dbraw/zinc/63/87/51/543638751.db2.gz KUCXNKLKGWNGEF-UHFFFAOYSA-N 0 2 370.434 2.226 20 0 FEADLN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000116719701 543613654 /nfs/dbraw/zinc/61/36/54/543613654.db2.gz SHCIBGVXTGSYCF-AWEZNQCLSA-N 0 2 358.398 2.006 20 0 FEADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1 ZINC000121317764 543692304 /nfs/dbraw/zinc/69/23/04/543692304.db2.gz IZHWMHYHDKKOKQ-UHFFFAOYSA-N 0 2 357.457 2.058 20 0 FEADLN Cc1cc(C(=O)N2C[C@H](C)Cc3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000120299111 543678287 /nfs/dbraw/zinc/67/82/87/543678287.db2.gz RRDWRVRRRPTXJR-SNVBAGLBSA-N 0 2 350.378 2.171 20 0 FEADLN CCc1ncsc1C(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O ZINC000123225092 543749314 /nfs/dbraw/zinc/74/93/14/543749314.db2.gz DMDFPPRWRCWIQU-QGZVFWFLSA-N 0 2 358.423 2.208 20 0 FEADLN CC[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(C)(C)c1ccccc1 ZINC000125990151 543912545 /nfs/dbraw/zinc/91/25/45/543912545.db2.gz JOOKVLJIJKVYKV-OAHLLOKOSA-N 0 2 366.421 2.098 20 0 FEADLN Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3O)CC2)no1 ZINC000126651433 543949009 /nfs/dbraw/zinc/94/90/09/543949009.db2.gz NVNBJWHWWMMGDQ-UHFFFAOYSA-N 0 2 371.224 2.348 20 0 FEADLN Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)cnc1Cl ZINC000126896082 543962536 /nfs/dbraw/zinc/96/25/36/543962536.db2.gz ASFDRITWYQEZOV-UHFFFAOYSA-N 0 2 356.835 2.461 20 0 FEADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C4CC4)nc(C)n3)cc12 ZINC000127494712 543997054 /nfs/dbraw/zinc/99/70/54/543997054.db2.gz ZQDYAOJLYIDSFF-UHFFFAOYSA-N 0 2 358.427 2.053 20 0 FEADLN CCOc1ccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)cn1 ZINC000130346452 544147694 /nfs/dbraw/zinc/14/76/94/544147694.db2.gz WUQQRGAGCCFCNZ-UHFFFAOYSA-N 0 2 352.397 2.393 20 0 FEADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000130419539 544150202 /nfs/dbraw/zinc/15/02/02/544150202.db2.gz ODJPPDRWOODGSU-HNNXBMFYSA-N 0 2 369.343 2.353 20 0 FEADLN Cc1cc(S(=O)(=O)Nc2cccc(-n3cn[nH]c3=O)c2)sc1C ZINC000130668133 544159930 /nfs/dbraw/zinc/15/99/30/544159930.db2.gz HEMABJUTCPLZBB-UHFFFAOYSA-N 0 2 350.425 2.040 20 0 FEADLN COc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1Cl ZINC000131604800 544197778 /nfs/dbraw/zinc/19/77/78/544197778.db2.gz AHMFTRBINQVJDS-LLVKDONJSA-N 0 2 357.819 2.307 20 0 FEADLN CCC[C@@H](CCc1ccccc1)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000131754624 544205354 /nfs/dbraw/zinc/20/53/54/544205354.db2.gz OECDCKBMFFZKPM-HNNXBMFYSA-N 0 2 366.421 2.143 20 0 FEADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccco1 ZINC000134294567 544301966 /nfs/dbraw/zinc/30/19/66/544301966.db2.gz MJPDVPQIOOHEPX-UHFFFAOYSA-N 0 2 350.381 2.184 20 0 FEADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000136888768 544380631 /nfs/dbraw/zinc/38/06/31/544380631.db2.gz YSLBLYIHPHOSJC-UHFFFAOYSA-N 0 2 369.225 2.457 20 0 FEADLN 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2.214 20 0 FEADLN O=C([O-])CCCc1nc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)no1 ZINC000739697369 600291948 /nfs/dbraw/zinc/29/19/48/600291948.db2.gz JREGXCYYRIATFX-GJZGRUSLSA-N 0 2 356.426 2.045 20 0 FEADLN O=C([O-])Nc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000740025720 600364697 /nfs/dbraw/zinc/36/46/97/600364697.db2.gz VELJPQVZCJUYMT-OAHLLOKOSA-N 0 2 371.441 2.430 20 0 FEADLN O=C([O-])Nc1ccc(CCNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000740025720 600364701 /nfs/dbraw/zinc/36/47/01/600364701.db2.gz VELJPQVZCJUYMT-OAHLLOKOSA-N 0 2 371.441 2.430 20 0 FEADLN CC[N@H+](CCC(=O)[O-])Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000737095714 600425007 /nfs/dbraw/zinc/42/50/07/600425007.db2.gz BHHDCDPBZWHNKT-UHFFFAOYSA-N 0 2 363.443 2.116 20 0 FEADLN CC[N@@H+](CCC(=O)[O-])Cn1ncn(-c2cccc(NC(C)=O)c2)c1=S ZINC000737095714 600425009 /nfs/dbraw/zinc/42/50/09/600425009.db2.gz BHHDCDPBZWHNKT-UHFFFAOYSA-N 0 2 363.443 2.116 20 0 FEADLN CC(C)(C)[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)[O-] ZINC000736243314 600528715 /nfs/dbraw/zinc/52/87/15/600528715.db2.gz AHGXQAMPYHVDPD-INIZCTEOSA-N 0 2 372.425 2.141 20 0 FEADLN COc1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)cc1C(=O)[O-] ZINC000738070122 600585290 /nfs/dbraw/zinc/58/52/90/600585290.db2.gz YMWTUHDYLXRQNU-UHFFFAOYSA-N 0 2 374.374 2.347 20 0 FEADLN CCCCCC[C@]1(C)NC(=O)N(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC000736983406 600703572 /nfs/dbraw/zinc/70/35/72/600703572.db2.gz LGPQPHAQRCQARJ-GUYCJALGSA-N 0 2 371.503 2.117 20 0 FEADLN CCCCCC[C@]1(C)NC(=O)N(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])C1=O ZINC000736983406 600703573 /nfs/dbraw/zinc/70/35/73/600703573.db2.gz LGPQPHAQRCQARJ-GUYCJALGSA-N 0 2 371.503 2.117 20 0 FEADLN CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113103 600758740 /nfs/dbraw/zinc/75/87/40/600758740.db2.gz AFLKMYXWBUROEE-STQMWFEESA-N 0 2 350.415 2.319 20 0 FEADLN CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113103 600758743 /nfs/dbraw/zinc/75/87/43/600758743.db2.gz AFLKMYXWBUROEE-STQMWFEESA-N 0 2 350.415 2.319 20 0 FEADLN CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113102 600759061 /nfs/dbraw/zinc/75/90/61/600759061.db2.gz AFLKMYXWBUROEE-QWHCGFSZSA-N 0 2 350.415 2.319 20 0 FEADLN CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000737113102 600759063 /nfs/dbraw/zinc/75/90/63/600759063.db2.gz AFLKMYXWBUROEE-QWHCGFSZSA-N 0 2 350.415 2.319 20 0 FEADLN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)cc(C(=O)[O-])c1 ZINC000831257874 600821201 /nfs/dbraw/zinc/82/12/01/600821201.db2.gz NSNMFPOAMGQKBW-LLVKDONJSA-N 0 2 360.366 2.223 20 0 FEADLN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)cc(C(=O)[O-])c1 ZINC000831257874 600821202 /nfs/dbraw/zinc/82/12/02/600821202.db2.gz NSNMFPOAMGQKBW-LLVKDONJSA-N 0 2 360.366 2.223 20 0 FEADLN O=C([O-])COc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000738612684 600888260 /nfs/dbraw/zinc/88/82/60/600888260.db2.gz QVJJDJULYFQLOP-KRWDZBQOSA-N 0 2 355.394 2.148 20 0 FEADLN O=C([O-])COc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000738612684 600888263 /nfs/dbraw/zinc/88/82/63/600888263.db2.gz QVJJDJULYFQLOP-KRWDZBQOSA-N 0 2 355.394 2.148 20 0 FEADLN O=C([O-])c1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000821547547 601044980 /nfs/dbraw/zinc/04/49/80/601044980.db2.gz SRWBKPFYBRYCAK-CQSZACIVSA-N 0 2 365.405 2.243 20 0 FEADLN C[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc(Cl)nc1 ZINC000830669878 601241992 /nfs/dbraw/zinc/24/19/92/601241992.db2.gz QOGGJSWZAFFVCL-INIZCTEOSA-N 0 2 373.840 2.205 20 0 FEADLN C[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc(Cl)nc1 ZINC000830669878 601241994 /nfs/dbraw/zinc/24/19/94/601241994.db2.gz QOGGJSWZAFFVCL-INIZCTEOSA-N 0 2 373.840 2.205 20 0 FEADLN CCc1ccc(C[NH+]2CCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)s1 ZINC000830250213 601288711 /nfs/dbraw/zinc/28/87/11/601288711.db2.gz XEPROYIRJSNMIY-UHFFFAOYSA-N 0 2 359.451 2.362 20 0 FEADLN Cc1cccn2cc(CCNC(=O)Nc3nc(CC(=O)[O-])cs3)[nH+]c12 ZINC000832981762 601294588 /nfs/dbraw/zinc/29/45/88/601294588.db2.gz HJFQEUVDZGPJFX-UHFFFAOYSA-N 0 2 359.411 2.091 20 0 FEADLN Cc1cc(C(O)=CONC(=[NH2+])COc2cccc(C(=O)[O-])c2)c(C)n1C ZINC000832858091 601351558 /nfs/dbraw/zinc/35/15/58/601351558.db2.gz HABJYFOOUPFKGC-UHFFFAOYSA-N 0 2 359.382 2.100 20 0 FEADLN Cc1ncc(C[NH+]2CCN(Cn3nc(C(=O)[O-])c4ccccc43)CC2)s1 ZINC000833008533 601400989 /nfs/dbraw/zinc/40/09/89/601400989.db2.gz HPLYSPGNCHGDFO-UHFFFAOYSA-N 0 2 371.466 2.275 20 0 FEADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)n2)C1 ZINC000828265760 601407232 /nfs/dbraw/zinc/40/72/32/601407232.db2.gz IPWJYMWMUZIHPK-BDJLRTHQSA-N 0 2 370.450 2.406 20 0 FEADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)n2)C1 ZINC000828265760 601407234 /nfs/dbraw/zinc/40/72/34/601407234.db2.gz IPWJYMWMUZIHPK-BDJLRTHQSA-N 0 2 370.450 2.406 20 0 FEADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829140335 601557954 /nfs/dbraw/zinc/55/79/54/601557954.db2.gz DFTBUCBNLUWSTJ-SJORKVTESA-N 0 2 361.442 2.045 20 0 FEADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000829140335 601557957 /nfs/dbraw/zinc/55/79/57/601557957.db2.gz DFTBUCBNLUWSTJ-SJORKVTESA-N 0 2 361.442 2.045 20 0 FEADLN CC(C)(CNC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C(=O)[O-] ZINC000826576182 601671551 /nfs/dbraw/zinc/67/15/51/601671551.db2.gz GHMILXORZONYNL-LBPRGKRZSA-N 0 2 369.412 2.339 20 0 FEADLN CC(C)(CNC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C(=O)[O-] ZINC000826576182 601671552 /nfs/dbraw/zinc/67/15/52/601671552.db2.gz GHMILXORZONYNL-LBPRGKRZSA-N 0 2 369.412 2.339 20 0 FEADLN C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000826000155 601822787 /nfs/dbraw/zinc/82/27/87/601822787.db2.gz NJXUBEALLYJMTD-ZDUSSCGKSA-N 0 2 365.499 2.011 20 0 FEADLN O=C([O-])c1ccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000833319434 601850531 /nfs/dbraw/zinc/85/05/31/601850531.db2.gz VOVSJKKZQJLKRI-KRWDZBQOSA-N 0 2 358.369 2.363 20 0 FEADLN O=C([O-])c1ccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000833319434 601850533 /nfs/dbraw/zinc/85/05/33/601850533.db2.gz VOVSJKKZQJLKRI-KRWDZBQOSA-N 0 2 358.369 2.363 20 0 FEADLN O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000740438525 601919023 /nfs/dbraw/zinc/91/90/23/601919023.db2.gz FLHSLIQAXAPVJL-OLMNPRSZSA-N 0 2 357.454 2.430 20 0 FEADLN COc1c(C)c[nH+]c(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[O-])c1C ZINC000739848098 601938650 /nfs/dbraw/zinc/93/86/50/601938650.db2.gz BTAZEZTTZAOBII-HNNXBMFYSA-N 0 2 357.410 2.202 20 0 FEADLN O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000740728567 601940727 /nfs/dbraw/zinc/94/07/27/601940727.db2.gz XESOMWDTJWZXFL-QGZVFWFLSA-N 0 2 354.410 2.152 20 0 FEADLN Cn1cc[nH+]c1C[C@H](NC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000833058750 602086261 /nfs/dbraw/zinc/08/62/61/602086261.db2.gz SODCOYASSBXOPZ-KXBFYZLASA-N 0 2 356.426 2.210 20 0 FEADLN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000739239098 602137866 /nfs/dbraw/zinc/13/78/66/602137866.db2.gz RWBIRVOLBFHMFS-YOEHRIQHSA-N 0 2 362.474 2.055 20 0 FEADLN O=C([O-])NCCc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000740671116 602226863 /nfs/dbraw/zinc/22/68/63/602226863.db2.gz OYFXMIIBNQGBJH-INIZCTEOSA-N 0 2 371.441 2.309 20 0 FEADLN COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)[O-])CC1 ZINC000738132863 602252123 /nfs/dbraw/zinc/25/21/23/602252123.db2.gz FUWVTJPHYBJVAE-MRXNPFEDSA-N 0 2 363.458 2.022 20 0 FEADLN C[C@@H](NC(=O)[O-])C1CC[NH+](Cn2c(=O)sc3c2CC[C@H](C)C3)CC1 ZINC000739116228 602424852 /nfs/dbraw/zinc/42/48/52/602424852.db2.gz WEPFNZQRQUAFHB-NWDGAFQWSA-N 0 2 353.488 2.360 20 0 FEADLN O=C([O-])NC1(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCCCC1 ZINC000740547304 602485926 /nfs/dbraw/zinc/48/59/26/602485926.db2.gz CZEICRZDNMJLMM-AWEZNQCLSA-N 0 2 363.462 2.068 20 0 FEADLN O=C([O-])NC1(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCCCC1 ZINC000740547304 602485928 /nfs/dbraw/zinc/48/59/28/602485928.db2.gz CZEICRZDNMJLMM-AWEZNQCLSA-N 0 2 363.462 2.068 20 0 FEADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000739687151 602491208 /nfs/dbraw/zinc/49/12/08/602491208.db2.gz BVMVPMRVYLRADW-UHFFFAOYSA-N 0 2 359.348 2.073 20 0 FEADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000739688027 602491388 /nfs/dbraw/zinc/49/13/88/602491388.db2.gz JHHGEUCBLSIBSF-UHFFFAOYSA-N 0 2 360.241 2.361 20 0 FEADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc(C3CC3)n2)c1 ZINC000558532233 674501725 /nfs/dbraw/zinc/50/17/25/674501725.db2.gz XXVQLPSWXOFKHW-UHFFFAOYSA-N 0 2 361.423 2.167 20 0 FEADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000740243076 602560624 /nfs/dbraw/zinc/56/06/24/602560624.db2.gz OXTKDWUQIJVLHU-LBPRGKRZSA-N 0 2 359.430 2.016 20 0 FEADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000740243076 602560625 /nfs/dbraw/zinc/56/06/25/602560625.db2.gz OXTKDWUQIJVLHU-LBPRGKRZSA-N 0 2 359.430 2.016 20 0 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356.245 2.337 20 0 FEADLN CN(C)C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000028757092 539837050 /nfs/dbraw/zinc/83/70/50/539837050.db2.gz BSVPRKLCVQVMJU-SNVBAGLBSA-N 0 2 356.245 2.337 20 0 FEADLN COCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000030512785 539883528 /nfs/dbraw/zinc/88/35/28/539883528.db2.gz DDHKXCHTIHLNOC-UHFFFAOYSA-N 0 2 368.480 2.244 20 0 FEADLN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(C)sc1C ZINC000032085213 539928337 /nfs/dbraw/zinc/92/83/37/539928337.db2.gz MTGFIDDQAKQADA-UHFFFAOYSA-N 0 2 374.509 2.464 20 0 FEADLN O=S(=O)(NNc1c(F)c(F)nc(F)c1F)c1cnc2ccccc2c1 ZINC000800831422 674080274 /nfs/dbraw/zinc/08/02/74/674080274.db2.gz UIYWRDVRZDSTFV-UHFFFAOYSA-N 0 2 372.303 2.492 20 0 FEADLN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)C(=O)N=c2ncn(Cc3ccccc3)[nH]2)C1 ZINC000530446837 539975670 /nfs/dbraw/zinc/97/56/70/539975670.db2.gz JHJNBRZBAUHCBP-QLFBSQMISA-N 0 2 355.442 2.158 20 0 FEADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000036125920 539987372 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CMHSLWOLBKDAPH-ZDUSSCGKSA-N 0 2 368.437 2.095 20 0 FEADLN CCn1cc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)c2ccccc21 ZINC000739562214 602493689 /nfs/dbraw/zinc/49/36/89/602493689.db2.gz ANAGKTPZUHUGKP-UHFFFAOYSA-N 0 2 358.442 2.029 20 0 FEADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000739688483 602497804 /nfs/dbraw/zinc/49/78/04/602497804.db2.gz MQHOYILQSHELSM-UHFFFAOYSA-N 0 2 356.426 2.049 20 0 FEADLN C[C@H](c1cccc(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000737718907 602505301 /nfs/dbraw/zinc/50/53/01/602505301.db2.gz AVOJPUWTHFCRHE-ZBFHGGJFSA-N 0 2 361.442 2.408 20 0 FEADLN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1)C(=O)[O-] ZINC000739662261 602527970 /nfs/dbraw/zinc/52/79/70/602527970.db2.gz YLEZUXULOCEVIB-NSHDSACASA-N 0 2 364.427 2.273 20 0 FEADLN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1)C(=O)[O-] ZINC000739662261 602527971 /nfs/dbraw/zinc/52/79/71/602527971.db2.gz YLEZUXULOCEVIB-NSHDSACASA-N 0 2 364.427 2.273 20 0 FEADLN CN(C[C@H]1CC[N@H+](Cc2nc(COc3ccc(F)cc3)no2)C1)C(=O)[O-] ZINC000739667169 602531640 /nfs/dbraw/zinc/53/16/40/602531640.db2.gz WNMLIPWXMAJBSG-GFCCVEGCSA-N 0 2 364.377 2.219 20 0 FEADLN CN(C[C@H]1CC[N@@H+](Cc2nc(COc3ccc(F)cc3)no2)C1)C(=O)[O-] ZINC000739667169 602531643 /nfs/dbraw/zinc/53/16/43/602531643.db2.gz WNMLIPWXMAJBSG-GFCCVEGCSA-N 0 2 364.377 2.219 20 0 FEADLN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737723015 602533909 /nfs/dbraw/zinc/53/39/09/602533909.db2.gz ZAUVAFAAZNWIDJ-GFCCVEGCSA-N 0 2 371.445 2.333 20 0 FEADLN O=C([O-])N1CCC[C@@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000740416084 602595341 /nfs/dbraw/zinc/59/53/41/602595341.db2.gz LYYWQPFJRXPAHX-CYBMUJFWSA-N 0 2 367.475 2.393 20 0 FEADLN C[C@H](NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccccc1Cl ZINC000738968963 602609891 /nfs/dbraw/zinc/60/98/91/602609891.db2.gz NEHAHIJKDQPRMD-ZDUSSCGKSA-N 0 2 368.865 2.338 20 0 FEADLN C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738970802 602629409 /nfs/dbraw/zinc/62/94/09/602629409.db2.gz CGSOPUWUHHXBCO-LSDHHAIUSA-N 0 2 363.462 2.351 20 0 FEADLN O=C([O-])N1CCC(n2cccc2C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000740509170 602699002 /nfs/dbraw/zinc/69/90/02/602699002.db2.gz KMYGRISILABDIO-UHFFFAOYSA-N 0 2 371.441 2.477 20 0 FEADLN O=C([O-])N1CCC(n2cccc2C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000740453313 602699725 /nfs/dbraw/zinc/69/97/25/602699725.db2.gz LUKSUJMGMIABEI-UHFFFAOYSA-N 0 2 371.441 2.266 20 0 FEADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cs1 ZINC000558591880 674505345 /nfs/dbraw/zinc/50/53/45/674505345.db2.gz IACLGOJVCBSCLV-UHFFFAOYSA-N 0 2 354.365 2.182 20 0 FEADLN C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823661474 602831836 /nfs/dbraw/zinc/83/18/36/602831836.db2.gz IMRXQYVQOCWABY-DYVFJYSZSA-N 0 2 355.394 2.316 20 0 FEADLN CCc1ccc(C[NH+]2CCN(C(=O)CCCN(C)C(=O)[O-])CC2)s1 ZINC000737265851 602846603 /nfs/dbraw/zinc/84/66/03/602846603.db2.gz UPOXHCSAZBDTPK-UHFFFAOYSA-N 0 2 353.488 2.345 20 0 FEADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CCC[C@H]1NC(=O)[O-] ZINC000740126235 603006308 /nfs/dbraw/zinc/00/63/08/603006308.db2.gz KLQCXYFKRREZES-JKSUJKDBSA-N 0 2 361.442 2.202 20 0 FEADLN C[C@H](CNC(=O)c1cccn1C1CCN(C(=O)[O-])CC1)Cn1cc[nH+]c1 ZINC000738939830 603187978 /nfs/dbraw/zinc/18/79/78/603187978.db2.gz OAXJZOXCNXDYQE-CQSZACIVSA-N 0 2 359.430 2.066 20 0 FEADLN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000739007153 603247390 /nfs/dbraw/zinc/24/73/90/603247390.db2.gz HFGAMTRRGKQODO-ZYHUDNBSSA-N 0 2 352.460 2.081 20 0 FEADLN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2 ZINC000739007153 603247392 /nfs/dbraw/zinc/24/73/92/603247392.db2.gz HFGAMTRRGKQODO-ZYHUDNBSSA-N 0 2 352.460 2.081 20 0 FEADLN C[C@@H](NC(=O)Nc1ccccc1CN(C)C(=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000738979989 603333813 /nfs/dbraw/zinc/33/38/13/603333813.db2.gz PSLVDNIDNOHTIF-ZIAGYGMSSA-N 0 2 364.446 2.027 20 0 FEADLN CN(Cc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C(=O)[O-] ZINC000739718938 603338170 /nfs/dbraw/zinc/33/81/70/603338170.db2.gz YIHOQCCMWHJSHY-UHFFFAOYSA-N 0 2 364.446 2.029 20 0 FEADLN CN(Cc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1)C(=O)[O-] ZINC000739718938 603338175 /nfs/dbraw/zinc/33/81/75/603338175.db2.gz YIHOQCCMWHJSHY-UHFFFAOYSA-N 0 2 364.446 2.029 20 0 FEADLN O=C([O-])NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000832534023 603491311 /nfs/dbraw/zinc/49/13/11/603491311.db2.gz RFNOPMXGHVVRNU-SMDDNHRTSA-N 0 2 353.369 2.050 20 0 FEADLN O=C([O-])NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)C1 ZINC000832534023 603491314 /nfs/dbraw/zinc/49/13/14/603491314.db2.gz RFNOPMXGHVVRNU-SMDDNHRTSA-N 0 2 353.369 2.050 20 0 FEADLN Cc1nc(-c2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CNC(=O)[O-])c2)cs1 ZINC000830692110 603506541 /nfs/dbraw/zinc/50/65/41/603506541.db2.gz UTVHJOIYPQUUGC-HNNXBMFYSA-N 0 2 374.466 2.142 20 0 FEADLN Cc1nc(-c2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3CNC(=O)[O-])c2)cs1 ZINC000830692110 603506543 /nfs/dbraw/zinc/50/65/43/603506543.db2.gz UTVHJOIYPQUUGC-HNNXBMFYSA-N 0 2 374.466 2.142 20 0 FEADLN Cc1csc(-c2cccc(C(=O)N3CC[N@@H+](C)C[C@H]3CNC(=O)[O-])c2)n1 ZINC000830655255 603511992 /nfs/dbraw/zinc/51/19/92/603511992.db2.gz MBXLEIFDLHOSGO-OAHLLOKOSA-N 0 2 374.466 2.142 20 0 FEADLN Cc1csc(-c2cccc(C(=O)N3CC[N@H+](C)C[C@H]3CNC(=O)[O-])c2)n1 ZINC000830655255 603511994 /nfs/dbraw/zinc/51/19/94/603511994.db2.gz MBXLEIFDLHOSGO-OAHLLOKOSA-N 0 2 374.466 2.142 20 0 FEADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000828312656 603571639 /nfs/dbraw/zinc/57/16/39/603571639.db2.gz OVHCLHDCRIAWKQ-GHTZIAJQSA-N 0 2 371.481 2.035 20 0 FEADLN O=C([O-])NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000832572744 603572486 /nfs/dbraw/zinc/57/24/86/603572486.db2.gz GULNUYARLDWNTP-HNNXBMFYSA-N 0 2 363.462 2.134 20 0 FEADLN O=C([O-])NC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000832572744 603572489 /nfs/dbraw/zinc/57/24/89/603572489.db2.gz GULNUYARLDWNTP-HNNXBMFYSA-N 0 2 363.462 2.134 20 0 FEADLN C[N@@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828506361 603596772 /nfs/dbraw/zinc/59/67/72/603596772.db2.gz GOPJMXJJQFDBFI-LBPRGKRZSA-N 0 2 360.336 2.121 20 0 FEADLN C[N@H+]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828506361 603596777 /nfs/dbraw/zinc/59/67/77/603596777.db2.gz GOPJMXJJQFDBFI-LBPRGKRZSA-N 0 2 360.336 2.121 20 0 FEADLN O=C([O-])N1CC[C@](F)(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000831907205 603826428 /nfs/dbraw/zinc/82/64/28/603826428.db2.gz AGRSDLNWESSOGU-OAHLLOKOSA-N 0 2 356.423 2.160 20 0 FEADLN CN(C(=O)[O-])[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000827882175 603832780 /nfs/dbraw/zinc/83/27/80/603832780.db2.gz LLITYQHSPCRJDB-SJORKVTESA-N 0 2 367.405 2.156 20 0 FEADLN CN(C(=O)[O-])[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C1 ZINC000827882175 603832781 /nfs/dbraw/zinc/83/27/81/603832781.db2.gz LLITYQHSPCRJDB-SJORKVTESA-N 0 2 367.405 2.156 20 0 FEADLN Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829903833 603842166 /nfs/dbraw/zinc/84/21/66/603842166.db2.gz CKKDGXSPGFSPCS-GFCCVEGCSA-N 0 2 370.247 2.380 20 0 FEADLN Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000829903833 603842167 /nfs/dbraw/zinc/84/21/67/603842167.db2.gz CKKDGXSPGFSPCS-GFCCVEGCSA-N 0 2 370.247 2.380 20 0 FEADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)CC1 ZINC000825630265 603876814 /nfs/dbraw/zinc/87/68/14/603876814.db2.gz PKMHPIUYSSYWIA-KMFMINBZSA-N 0 2 363.433 2.467 20 0 FEADLN Cc1cccn2cc(CCNC(=O)[C@@H](CNC(=O)[O-])c3ccccc3)[nH+]c12 ZINC000830590475 603968110 /nfs/dbraw/zinc/96/81/10/603968110.db2.gz FAOABKOIYYNYCK-KRWDZBQOSA-N 0 2 366.421 2.353 20 0 FEADLN CC1(C)SC(=O)N(C[NH+]2CCC([C@H]3CCCN3C(=O)[O-])CC2)C1=O ZINC000825739710 604016192 /nfs/dbraw/zinc/01/61/92/604016192.db2.gz OEXHWLFDODBWSG-GFCCVEGCSA-N 0 2 355.460 2.272 20 0 FEADLN Cc1ccccc1-c1cnc(C[N@H+](C)CCN2CCN(C(=O)[O-])CC2)o1 ZINC000830544531 604058202 /nfs/dbraw/zinc/05/82/02/604058202.db2.gz BTWUDRUPXHZIIQ-UHFFFAOYSA-N 0 2 358.442 2.377 20 0 FEADLN Cc1ccccc1-c1cnc(C[N@@H+](C)CCN2CCN(C(=O)[O-])CC2)o1 ZINC000830544531 604058208 /nfs/dbraw/zinc/05/82/08/604058208.db2.gz BTWUDRUPXHZIIQ-UHFFFAOYSA-N 0 2 358.442 2.377 20 0 FEADLN Cn1cc[nH+]c1C[C@@H](NC(=O)CC1(NC(=O)[O-])CCC1)c1ccccc1 ZINC000831036159 604199095 /nfs/dbraw/zinc/19/90/95/604199095.db2.gz GUHJGSSENFSBNI-OAHLLOKOSA-N 0 2 356.426 2.401 20 0 FEADLN C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252403 604211435 /nfs/dbraw/zinc/21/14/35/604211435.db2.gz DPBAMDQSXKRLIO-QJPTWQEYSA-N 0 2 354.838 2.430 20 0 FEADLN C[C@H](C(=O)Nc1cccnc1Cl)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825252403 604211436 /nfs/dbraw/zinc/21/14/36/604211436.db2.gz DPBAMDQSXKRLIO-QJPTWQEYSA-N 0 2 354.838 2.430 20 0 FEADLN CC[C@H]1CCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])C1 ZINC000826676198 604240145 /nfs/dbraw/zinc/24/01/45/604240145.db2.gz XCOHVOJTGHMLGE-YJBOKZPZSA-N 0 2 370.453 2.369 20 0 FEADLN 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373.409 2.292 20 0 FEADLN CCOc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1OCC(=O)[O-] ZINC000830032384 601291739 /nfs/dbraw/zinc/29/17/39/601291739.db2.gz HRZVOKAVLFFQHI-UHFFFAOYSA-N 0 2 373.409 2.292 20 0 FEADLN O=C([O-])[C@@]1(F)CC[N@@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000833355917 601443493 /nfs/dbraw/zinc/44/34/93/601443493.db2.gz PPQYWYGWJYSMRF-CXAGYDPISA-N 0 2 372.343 2.282 20 0 FEADLN O=C([O-])[C@@]1(F)CC[N@H+]([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)C1 ZINC000833355917 601443495 /nfs/dbraw/zinc/44/34/95/601443495.db2.gz PPQYWYGWJYSMRF-CXAGYDPISA-N 0 2 372.343 2.282 20 0 FEADLN C[C@@H]1CN(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)C[C@@H]1C(=O)[O-] ZINC000828349845 601547960 /nfs/dbraw/zinc/54/79/60/601547960.db2.gz UMTFJKHFUJCCIZ-KDOFPFPSSA-N 0 2 374.485 2.084 20 0 FEADLN CCc1noc([C@H](C)N2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)n1 ZINC000830344170 601824341 /nfs/dbraw/zinc/82/43/41/601824341.db2.gz LAXOABGMHNIOGR-NSHDSACASA-N 0 2 350.444 2.271 20 0 FEADLN 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CCc1ccc(C[NH+]2CCN(C(=O)c3cccc(C(=O)[O-])n3)CC2)s1 ZINC000737265458 600413412 /nfs/dbraw/zinc/41/34/12/600413412.db2.gz QHOVOZASWOEMKL-UHFFFAOYSA-N 0 2 359.451 2.362 20 0 FEADLN O=C([O-])c1ccoc1C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000740249212 600462757 /nfs/dbraw/zinc/46/27/57/600462757.db2.gz QVTGUPGPTFHBJF-INIZCTEOSA-N 0 2 364.829 2.482 20 0 FEADLN COc1ccc(CN(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000737995435 600506242 /nfs/dbraw/zinc/50/62/42/600506242.db2.gz RTHJGNUKOMKIAU-LJQANCHMSA-N 0 2 372.421 2.078 20 0 FEADLN COC(=O)c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1C(=O)[O-] ZINC000831404445 600656022 /nfs/dbraw/zinc/65/60/22/600656022.db2.gz GKRIELFDWKGKQZ-UHFFFAOYSA-N 0 2 372.381 2.237 20 0 FEADLN CCCCCC[C@@]1(C)NC(=O)N(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])C1=O ZINC000736983402 600703515 /nfs/dbraw/zinc/70/35/15/600703515.db2.gz LGPQPHAQRCQARJ-CXAGYDPISA-N 0 2 371.503 2.117 20 0 FEADLN CCCCCC[C@@]1(C)NC(=O)N(C[N@H+]2CCSC[C@H]2CC(=O)[O-])C1=O ZINC000736983402 600703516 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COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000831999876 601025960 /nfs/dbraw/zinc/02/59/60/601025960.db2.gz ARBOMFCSFACUSD-LLVKDONJSA-N 0 2 372.874 2.488 20 0 FEADLN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000831999876 601025962 /nfs/dbraw/zinc/02/59/62/601025962.db2.gz ARBOMFCSFACUSD-LLVKDONJSA-N 0 2 372.874 2.488 20 0 FEADLN Cc1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000738854744 601104536 /nfs/dbraw/zinc/10/45/36/601104536.db2.gz IKRUSCZNCKPBLX-GOEBONIOSA-N 0 2 364.833 2.363 20 0 FEADLN Cc1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000738854744 601104539 /nfs/dbraw/zinc/10/45/39/601104539.db2.gz IKRUSCZNCKPBLX-GOEBONIOSA-N 0 2 364.833 2.363 20 0 FEADLN COC(=O)c1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1C(=O)[O-] ZINC000831405623 601132612 /nfs/dbraw/zinc/13/26/12/601132612.db2.gz ZIBXFJLINSMRJK-UHFFFAOYSA-N 0 2 372.381 2.306 20 0 FEADLN Cc1cccn2cc(CCNS(=O)(=O)c3cccc(C(=O)[O-])c3C)[nH+]c12 ZINC000680654313 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FFIRAEVKRVTFCM-ZDUSSCGKSA-N 0 2 363.360 2.461 20 0 FEADLN Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cc(C(=O)[O-])sc2C)CC1 ZINC000833014579 601631184 /nfs/dbraw/zinc/63/11/84/601631184.db2.gz LORTXBZBOKIWJI-UHFFFAOYSA-N 0 2 362.499 2.423 20 0 FEADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1cc(C(=O)[O-])[nH+]c1C ZINC000833011392 601638920 /nfs/dbraw/zinc/63/89/20/601638920.db2.gz KUVSKFAKHICAKX-UHFFFAOYSA-N 0 2 353.382 2.331 20 0 FEADLN C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000828012608 601860881 /nfs/dbraw/zinc/86/08/81/601860881.db2.gz GNOKTIUDRODJHG-MRXNPFEDSA-N 0 2 352.460 2.458 20 0 FEADLN Cc1cccc(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1-c1nn[nH]n1 ZINC000826271258 607538326 /nfs/dbraw/zinc/53/83/26/607538326.db2.gz KAKSVJMEEOAFRC-UHFFFAOYSA-N 0 2 364.818 2.333 20 0 FEADLN O=C([O-])N1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000740449558 602013979 /nfs/dbraw/zinc/01/39/79/602013979.db2.gz TTWCLUONZIMPHM-KRWDZBQOSA-N 0 2 371.441 2.121 20 0 FEADLN CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739176620 602035285 /nfs/dbraw/zinc/03/52/85/602035285.db2.gz NDCPDJVSBSKCCT-ZOWXZIJZSA-N 0 2 350.419 2.244 20 0 FEADLN CC(C)[C@@H](C(=O)Nc1ccc(NC(=O)[O-])nc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739176620 602035294 /nfs/dbraw/zinc/03/52/94/602035294.db2.gz NDCPDJVSBSKCCT-ZOWXZIJZSA-N 0 2 350.419 2.244 20 0 FEADLN COc1ccc(-c2n[nH]c(SCc3ccnc(-c4nn[nH]n4)c3)n2)cc1 ZINC000826182030 607542170 /nfs/dbraw/zinc/54/21/70/607542170.db2.gz XJIFLQMZKPQQLJ-UHFFFAOYSA-N 0 2 366.410 2.348 20 0 FEADLN Cn1c(COc2ccccc2)nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000833040297 602200321 /nfs/dbraw/zinc/20/03/21/602200321.db2.gz ZBLCKAOTANJDQA-QGZVFWFLSA-N 0 2 362.455 2.284 20 0 FEADLN Cn1c(COc2ccccc2)nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000833040297 602200322 /nfs/dbraw/zinc/20/03/22/602200322.db2.gz ZBLCKAOTANJDQA-QGZVFWFLSA-N 0 2 362.455 2.284 20 0 FEADLN CC(C)Oc1ccc(NC(=S)NCC[NH+]2CCN(C(=O)[O-])CC2)cc1 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NRUQZVJLZOZVFN-SFHVURJKSA-N 0 2 369.421 2.268 20 0 FEADLN C[C@H](NC(=O)[O-])C1CC[NH+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CC1 ZINC000739116227 602424933 /nfs/dbraw/zinc/42/49/33/602424933.db2.gz WEPFNZQRQUAFHB-NEPJUHHUSA-N 0 2 353.488 2.360 20 0 FEADLN COc1ccc(OC)c(NC(=O)C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c1 ZINC000739928182 602446404 /nfs/dbraw/zinc/44/64/04/602446404.db2.gz BGDFQGSPEMICDF-GFCCVEGCSA-N 0 2 365.430 2.010 20 0 FEADLN CN(C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1)C(=O)[O-] ZINC000739665881 602534791 /nfs/dbraw/zinc/53/47/91/602534791.db2.gz NKCZNYHPGJSGDD-GFCCVEGCSA-N 0 2 362.398 2.115 20 0 FEADLN CN(C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1)C(=O)[O-] ZINC000739665881 602534792 /nfs/dbraw/zinc/53/47/92/602534792.db2.gz NKCZNYHPGJSGDD-GFCCVEGCSA-N 0 2 362.398 2.115 20 0 FEADLN CCOC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)c1C ZINC000737874224 602534889 /nfs/dbraw/zinc/53/48/89/602534889.db2.gz XINMZVVIZUWBGG-UHFFFAOYSA-N 0 2 365.430 2.065 20 0 FEADLN C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000738939057 602562192 /nfs/dbraw/zinc/56/21/92/602562192.db2.gz LWCHXJMUPBIETJ-JTQLQIEISA-N 0 2 371.821 2.028 20 0 FEADLN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000738939057 602562193 /nfs/dbraw/zinc/56/21/93/602562193.db2.gz LWCHXJMUPBIETJ-JTQLQIEISA-N 0 2 371.821 2.028 20 0 FEADLN C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738970798 602629109 /nfs/dbraw/zinc/62/91/09/602629109.db2.gz CGSOPUWUHHXBCO-CABCVRRESA-N 0 2 363.462 2.351 20 0 FEADLN O=C([O-])NCCc1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000740672720 602905089 /nfs/dbraw/zinc/90/50/89/602905089.db2.gz RASUNXWPLMNAMA-UHFFFAOYSA-N 0 2 353.382 2.466 20 0 FEADLN CC(C)(C(=O)NCCc1cccc(Cl)c1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000738659563 603076176 /nfs/dbraw/zinc/07/61/76/603076176.db2.gz PQNGVOXYCVPBTR-UHFFFAOYSA-N 0 2 353.850 2.073 20 0 FEADLN C[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000825114773 603198439 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CCOC(=O)C(=C(O)CSc1nc(CC)n[nH]1)c1nc(C)cs1 ZINC000298319182 553411945 /nfs/dbraw/zinc/41/19/45/553411945.db2.gz SPDXZBKCWFQKCE-NSHDSACASA-N 0 2 354.457 2.140 20 0 FEADLN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(F)c(F)c(O)c1F ZINC000299003732 553502258 /nfs/dbraw/zinc/50/22/58/553502258.db2.gz AFQFNIMKWUPZKF-UHFFFAOYSA-N 0 2 368.311 2.437 20 0 FEADLN CS(=O)(=O)Nc1nnc(NC(=O)C2(c3cccc(F)c3)CCC2)s1 ZINC000299142146 553520999 /nfs/dbraw/zinc/52/09/99/553520999.db2.gz PAUNXILEFCLOED-UHFFFAOYSA-N 0 2 370.431 2.109 20 0 FEADLN CCCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299426758 553561415 /nfs/dbraw/zinc/56/14/15/553561415.db2.gz UXLBMLTWKVGGRB-UHFFFAOYSA-N 0 2 371.485 2.387 20 0 FEADLN CNC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)cn1C ZINC000299621244 553590292 /nfs/dbraw/zinc/59/02/92/553590292.db2.gz OSZSTSKZXXKRAJ-UHFFFAOYSA-N 0 2 373.381 2.095 20 0 FEADLN CCN(CCOCCO)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000504724904 561661610 /nfs/dbraw/zinc/66/16/10/561661610.db2.gz JGMSBKPLQNPEPT-UHFFFAOYSA-N 0 2 370.862 2.143 20 0 FEADLN CCOC(=O)Cn1cnc(=NC(=O)N[C@@H](C(F)F)C2CCCCC2)[nH]1 ZINC000603039670 553699016 /nfs/dbraw/zinc/69/90/16/553699016.db2.gz GBAYYWDTKKXLRO-GFCCVEGCSA-N 0 2 359.377 2.177 20 0 FEADLN CCOC(=O)[C@H](C(=O)CSc1nncn1C1CC1)c1nc(C)cs1 ZINC000505463585 561671447 /nfs/dbraw/zinc/67/14/47/561671447.db2.gz CUAQSBQRXAJMGZ-GFCCVEGCSA-N 0 2 366.468 2.386 20 0 FEADLN C[C@H]1C[N@H+](Cc2ncc(I)s2)CC[C@H]1C(=O)[O-] ZINC000304459467 553747667 /nfs/dbraw/zinc/74/76/67/553747667.db2.gz BBOLMLXXHDMTRB-JGVFFNPUSA-N 0 2 366.224 2.290 20 0 FEADLN C[C@H]1C[N@@H+](Cc2ncc(I)s2)CC[C@H]1C(=O)[O-] ZINC000304459467 553747669 /nfs/dbraw/zinc/74/76/69/553747669.db2.gz BBOLMLXXHDMTRB-JGVFFNPUSA-N 0 2 366.224 2.290 20 0 FEADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ncnn3C)=N2)c1 ZINC000505907771 561684853 /nfs/dbraw/zinc/68/48/53/561684853.db2.gz QDXBVDNAQBXXSA-LBPRGKRZSA-N 0 2 354.414 2.321 20 0 FEADLN Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000505777921 561680574 /nfs/dbraw/zinc/68/05/74/561680574.db2.gz RVQWDOANLKBTHP-QGZVFWFLSA-N 0 2 351.362 2.435 20 0 FEADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)s[nH]1 ZINC000329051985 553872192 /nfs/dbraw/zinc/87/21/92/553872192.db2.gz WQUSLCDEXINDFJ-XWCIJXRUSA-N 0 2 368.503 2.041 20 0 FEADLN O=C(N=c1ccc(C2CC2)n[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000604708988 553904257 /nfs/dbraw/zinc/90/42/57/553904257.db2.gz CFSQIZPAALGGTK-UHFFFAOYSA-N 0 2 372.450 2.391 20 0 FEADLN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1csc2ccccc21 ZINC000506675887 561705517 /nfs/dbraw/zinc/70/55/17/561705517.db2.gz MMDBTJZGTVAPSN-UHFFFAOYSA-N 0 2 368.461 2.350 20 0 FEADLN CCCc1cc(NS(=O)(=O)c2cccc(CC(=O)OCC)c2)[nH]n1 ZINC000506817712 561709271 /nfs/dbraw/zinc/70/92/71/561709271.db2.gz BXIRDNSWHCISCP-UHFFFAOYSA-N 0 2 351.428 2.269 20 0 FEADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccoc3)sc21 ZINC000506819602 561709406 /nfs/dbraw/zinc/70/94/06/561709406.db2.gz ZVGHLQZPMMNUGV-UHFFFAOYSA-N 0 2 353.381 2.180 20 0 FEADLN O=C(c1cnn(CCC(F)(F)F)c1)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000329663779 553984404 /nfs/dbraw/zinc/98/44/04/553984404.db2.gz JODXDCYKMWLGGU-JTQLQIEISA-N 0 2 358.324 2.027 20 0 FEADLN CN1CC[N@H+](C)[C@@H](CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC000530669596 562420023 /nfs/dbraw/zinc/42/00/23/562420023.db2.gz YLHUPHMPUAYVQV-ZDUSSCGKSA-N 0 2 356.257 2.123 20 0 FEADLN COCc1nnc([C@H]2CCCCN2S(=O)(=O)Cc2cccc(F)c2)[nH]1 ZINC000329860127 554020092 /nfs/dbraw/zinc/02/00/92/554020092.db2.gz XCYMIOGQKNKJIU-CQSZACIVSA-N 0 2 368.434 2.147 20 0 FEADLN CCn1nccc1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000329929916 554033620 /nfs/dbraw/zinc/03/36/20/554033620.db2.gz ZFIXBIGRLPPSCQ-UHFFFAOYSA-N 0 2 362.455 2.330 20 0 FEADLN C[C@H]1CCCN1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000329984847 554043756 /nfs/dbraw/zinc/04/37/56/554043756.db2.gz QPDKQSZLKKSZCK-ZFWWWQNUSA-N 0 2 361.471 2.338 20 0 FEADLN COCCNC(=O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 ZINC000507580700 561734277 /nfs/dbraw/zinc/73/42/77/561734277.db2.gz PMWXLPMDFGBVEA-UHFFFAOYSA-N 0 2 370.377 2.142 20 0 FEADLN COCCNC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000507605160 561734941 /nfs/dbraw/zinc/73/49/41/561734941.db2.gz WLBZYGXJGHUNEH-UHFFFAOYSA-N 0 2 370.377 2.142 20 0 FEADLN CN1CC[N@@H+](C)[C@@H](CN=c2[n-]c(-c3cc(Cl)cc(Cl)c3)no2)C1 ZINC000530669596 562420024 /nfs/dbraw/zinc/42/00/24/562420024.db2.gz YLHUPHMPUAYVQV-ZDUSSCGKSA-N 0 2 356.257 2.123 20 0 FEADLN CCOC(=O)c1c(NS(=O)(=O)c2ccoc2)cc(OC)cc1OC ZINC000507879956 561744346 /nfs/dbraw/zinc/74/43/46/561744346.db2.gz UKNMGRGHEKCBHW-UHFFFAOYSA-N 0 2 355.368 2.274 20 0 FEADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2c(C)nn(CC)c2C)c1 ZINC000507982158 561747994 /nfs/dbraw/zinc/74/79/94/561747994.db2.gz FDIOLALGBSMBOO-UHFFFAOYSA-N 0 2 365.455 2.426 20 0 FEADLN COC(=O)c1coc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c1 ZINC000508067024 561750173 /nfs/dbraw/zinc/75/01/73/561750173.db2.gz GUALMMNJGUZMHA-UHFFFAOYSA-N 0 2 365.392 2.386 20 0 FEADLN CC(C)C(=O)N[C@H]1CCCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000330806393 554174135 /nfs/dbraw/zinc/17/41/35/554174135.db2.gz LCPLRVPVFPBVBF-NSHDSACASA-N 0 2 353.492 2.026 20 0 FEADLN O=C(c1ccccc1)N1CCC(CNS(=O)(=O)CC(F)(F)F)CC1 ZINC000331072728 554208970 /nfs/dbraw/zinc/20/89/70/554208970.db2.gz TYTYGHLNYBCPMP-UHFFFAOYSA-N 0 2 364.389 2.021 20 0 FEADLN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000331071685 554209171 /nfs/dbraw/zinc/20/91/71/554209171.db2.gz DJFGQDKEXOGUSZ-UHFFFAOYSA-N 0 2 371.484 2.056 20 0 FEADLN CC[C@H](CC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)C(C)C ZINC000331345793 554249453 /nfs/dbraw/zinc/24/94/53/554249453.db2.gz LSJOFAYHOSQYSJ-LLVKDONJSA-N 0 2 359.517 2.472 20 0 FEADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509067931 561783482 /nfs/dbraw/zinc/78/34/82/561783482.db2.gz PVXROKGNPZRCKV-UHFFFAOYSA-N 0 2 364.379 2.183 20 0 FEADLN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C(=O)N1CCCC[C@@H]1C ZINC000331687836 554308475 /nfs/dbraw/zinc/30/84/75/554308475.db2.gz SOHSJGMVYTUWJR-KBPBESRZSA-N 0 2 356.426 2.097 20 0 FEADLN Cc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]2)cc1C(=O)N(C)C(C)C ZINC000509200960 561789779 /nfs/dbraw/zinc/78/97/79/561789779.db2.gz AIVPQMBCAFXPJP-UHFFFAOYSA-N 0 2 363.443 2.030 20 0 FEADLN CO[C@H](C)c1nsc(NC[C@@H](c2cccs2)N2CCOCC2)n1 ZINC000509666808 561809814 /nfs/dbraw/zinc/80/98/14/561809814.db2.gz RXHAQHJVVHCMAV-NEPJUHHUSA-N 0 2 354.501 2.214 20 0 FEADLN Cn1nccc1S(=O)(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000509380404 561797127 /nfs/dbraw/zinc/79/71/27/561797127.db2.gz WISWJTWQUFPDEV-UHFFFAOYSA-N 0 2 362.333 2.112 20 0 FEADLN COCCn1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cn1 ZINC000509383085 561797135 /nfs/dbraw/zinc/79/71/35/561797135.db2.gz HDQHAGUJVSHWIS-UHFFFAOYSA-N 0 2 364.349 2.053 20 0 FEADLN Cc1c([C@H]2OCC[C@@H]2NC(=O)c2cc(F)c(F)c(O)c2F)cnn1C ZINC000332018135 554364746 /nfs/dbraw/zinc/36/47/46/554364746.db2.gz PNBVBHBABVJNJJ-XHDPSFHLSA-N 0 2 355.316 2.111 20 0 FEADLN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)Nc1nc([C@H](C)OC)ns1 ZINC000509554849 561805006 /nfs/dbraw/zinc/80/50/06/561805006.db2.gz HOYZWLNJABTSPL-IINYFYTJSA-N 0 2 360.439 2.345 20 0 FEADLN CCOC(=O)c1ccccc1NS(=O)(=O)c1cnc2c(c1)c(C)nn2C ZINC000509620273 561807613 /nfs/dbraw/zinc/80/76/13/561807613.db2.gz OHXUXNVOFWWJGX-UHFFFAOYSA-N 0 2 374.422 2.254 20 0 FEADLN Cc1n[nH]c(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1Br ZINC000333155838 554581035 /nfs/dbraw/zinc/58/10/35/554581035.db2.gz LCCVZEPKLIQNCX-SSDOTTSWSA-N 0 2 374.264 2.375 20 0 FEADLN Cc1[nH]nc(NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1Br ZINC000333155838 554581036 /nfs/dbraw/zinc/58/10/36/554581036.db2.gz LCCVZEPKLIQNCX-SSDOTTSWSA-N 0 2 374.264 2.375 20 0 FEADLN CC(C)(CNc1nc(C2CCCCC2)ns1)N1CCS(=O)CC1 ZINC000333819161 554646493 /nfs/dbraw/zinc/64/64/93/554646493.db2.gz HEKKBCULBGBBFV-UHFFFAOYSA-N 0 2 356.561 2.263 20 0 FEADLN O=C(N[C@H]1CC[S@@](=O)C1)c1cc(Br)cc(Cl)c1O ZINC000334087158 554676365 /nfs/dbraw/zinc/67/63/65/554676365.db2.gz JJUUXQKDJCTZNZ-ULCDLSAGSA-N 0 2 352.637 2.059 20 0 FEADLN O=C(N[C@H]1CC[S@@](=O)C1)c1cc(Cl)cc(Br)c1O ZINC000334090339 554676860 /nfs/dbraw/zinc/67/68/60/554676860.db2.gz NRFDXFOKDSYRGL-ULCDLSAGSA-N 0 2 352.637 2.059 20 0 FEADLN CN(C)c1noc(-c2ccc(NS(=O)(=O)c3cccs3)cc2O)n1 ZINC000350569977 554798474 /nfs/dbraw/zinc/79/84/74/554798474.db2.gz MWVHNMSKKVEKFS-UHFFFAOYSA-N 0 2 366.424 2.371 20 0 FEADLN Cn1cc([NH+]=c2[n-]nc(CNC(=O)c3cccs3)n2CC2CC2)cn1 ZINC000612792868 554841103 /nfs/dbraw/zinc/84/11/03/554841103.db2.gz ATGYSGRDIKNUDD-UHFFFAOYSA-N 0 2 357.443 2.157 20 0 FEADLN CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000360929121 554896420 /nfs/dbraw/zinc/89/64/20/554896420.db2.gz PXTIJZXOCZIWHS-UHFFFAOYSA-N 0 2 362.455 2.122 20 0 FEADLN C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000362256202 554958721 /nfs/dbraw/zinc/95/87/21/554958721.db2.gz KWFWXNGCNGSIBD-QGZVFWFLSA-N 0 2 355.486 2.196 20 0 FEADLN C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362702482 554981484 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Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c(C)c1C(=O)[O-] ZINC000738234581 599956885 /nfs/dbraw/zinc/95/68/85/599956885.db2.gz FERPGSUFVGPACQ-ZDUSSCGKSA-N 0 2 371.441 2.267 20 0 FEADLN CCOc1cc(C)nc(N2CC[NH+](Cc3cc(C)c(C(=O)[O-])o3)CC2)n1 ZINC000737192869 599967305 /nfs/dbraw/zinc/96/73/05/599967305.db2.gz IPWBYIQSFPQUHS-UHFFFAOYSA-N 0 2 360.414 2.106 20 0 FEADLN Cc1cccn2cc(CC(=O)N[C@@H](C(=O)[O-])c3cc(F)ccc3F)[nH+]c12 ZINC000738784252 599971392 /nfs/dbraw/zinc/97/13/92/599971392.db2.gz BUIAFYTVHMRGSI-MRXNPFEDSA-N 0 2 359.332 2.406 20 0 FEADLN Cc1cc(NC(=O)C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C(=O)[O-] ZINC000738411545 600045159 /nfs/dbraw/zinc/04/51/59/600045159.db2.gz VPYQIDJWCOJMBJ-OAHLLOKOSA-N 0 2 372.425 2.059 20 0 FEADLN CC[C@]([NH2+]CC(=O)Nc1ccccc1C(=O)OC)(C(=O)[O-])c1ccccc1 ZINC000736919083 600130553 /nfs/dbraw/zinc/13/05/53/600130553.db2.gz XMLCUNCDUUAOBJ-HXUWFJFHSA-N 0 2 370.405 2.391 20 0 FEADLN O=C([O-])c1cccc(CS(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000304713990 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370.405 2.235 20 0 FEADLN Nc1nc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)nc(Nc2ccc(F)cc2)n1 ZINC000739204322 600309775 /nfs/dbraw/zinc/30/97/75/600309775.db2.gz ZSSFXAQBRBLPJS-ZDUSSCGKSA-N 0 2 372.404 2.023 20 0 FEADLN CC(C)(C)[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(=O)[O-] ZINC000736243315 600532441 /nfs/dbraw/zinc/53/24/41/600532441.db2.gz AHGXQAMPYHVDPD-MRXNPFEDSA-N 0 2 372.425 2.141 20 0 FEADLN NC(=[NH+]OCC(=O)N1CCCc2ccccc21)c1cccc(C(=O)[O-])c1 ZINC000833079447 600805803 /nfs/dbraw/zinc/80/58/03/600805803.db2.gz VVIDGNHKUPLAHJ-UHFFFAOYSA-N 0 2 353.378 2.211 20 0 FEADLN NC(=[NH+]OCC(=O)NCc1ccc(Cl)cc1)c1cccc(C(=O)[O-])c1 ZINC000833079393 600806021 /nfs/dbraw/zinc/80/60/21/600806021.db2.gz UTKROWHXACHNQH-UHFFFAOYSA-N 0 2 361.785 2.201 20 0 FEADLN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccoc2)cc(C(=O)[O-])c1 ZINC000831257875 600820995 /nfs/dbraw/zinc/82/09/95/600820995.db2.gz NSNMFPOAMGQKBW-NSHDSACASA-N 0 2 360.366 2.223 20 0 FEADLN 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356.426 2.441 20 0 FEADLN CC(C)OC(=O)Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cs1 ZINC000738860189 602789582 /nfs/dbraw/zinc/78/95/82/602789582.db2.gz KJHJLRBGJSMKES-WCQYABFASA-N 0 2 355.460 2.115 20 0 FEADLN CC(C)OC(=O)Cc1nc(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cs1 ZINC000738860189 602789586 /nfs/dbraw/zinc/78/95/86/602789586.db2.gz KJHJLRBGJSMKES-WCQYABFASA-N 0 2 355.460 2.115 20 0 FEADLN COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739907082 602799917 /nfs/dbraw/zinc/79/99/17/602799917.db2.gz QCOZEEYZJNVSBF-JQWIXIFHSA-N 0 2 355.822 2.265 20 0 FEADLN COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739907082 602799918 /nfs/dbraw/zinc/79/99/18/602799918.db2.gz QCOZEEYZJNVSBF-JQWIXIFHSA-N 0 2 355.822 2.265 20 0 FEADLN C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739062080 602875007 /nfs/dbraw/zinc/87/50/07/602875007.db2.gz BTDQXTMRZMNCOV-GFCCVEGCSA-N 0 2 365.459 2.087 20 0 FEADLN C[C@H](c1nc(-c2cccs2)no1)[N@@H+](C)CCN1CCN(C(=O)[O-])CC1 ZINC000739062080 602875010 /nfs/dbraw/zinc/87/50/10/602875010.db2.gz BTDQXTMRZMNCOV-GFCCVEGCSA-N 0 2 365.459 2.087 20 0 FEADLN Cc1[nH+]c2n(c1C)CCN(C(=O)NCc1ccc(CCNC(=O)[O-])cc1)C2 ZINC000740231852 602911846 /nfs/dbraw/zinc/91/18/46/602911846.db2.gz LHHXEXIAVHUFGZ-UHFFFAOYSA-N 0 2 371.441 2.035 20 0 FEADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)/C=C\c1ccnc2ccccc12 ZINC000739684891 603012286 /nfs/dbraw/zinc/01/22/86/603012286.db2.gz JYNPZUZJSZONHR-SREVYHEPSA-N 0 2 368.437 2.002 20 0 FEADLN CC(C)(CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)NC(=O)[O-] ZINC000738731958 603048602 /nfs/dbraw/zinc/04/86/02/603048602.db2.gz IKECTKPSLBWCAC-GFCCVEGCSA-N 0 2 369.412 2.482 20 0 FEADLN CC(C)(CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)NC(=O)[O-] ZINC000738731958 603048606 /nfs/dbraw/zinc/04/86/06/603048606.db2.gz IKECTKPSLBWCAC-GFCCVEGCSA-N 0 2 369.412 2.482 20 0 FEADLN CC(C)(NC(=O)[O-])c1noc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)n1 ZINC000738753839 603077849 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YPXYVHNDTWZFNY-HNNXBMFYSA-N 0 2 360.458 2.067 20 0 FEADLN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000739013613 603331901 /nfs/dbraw/zinc/33/19/01/603331901.db2.gz YGRBBXLNGCDKJG-STQMWFEESA-N 0 2 365.478 2.167 20 0 FEADLN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000739013613 603331906 /nfs/dbraw/zinc/33/19/06/603331906.db2.gz YGRBBXLNGCDKJG-STQMWFEESA-N 0 2 365.478 2.167 20 0 FEADLN COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000829173817 603337691 /nfs/dbraw/zinc/33/76/91/603337691.db2.gz MSZNACUVOBQXBE-VIFPVBQESA-N 0 2 352.778 2.454 20 0 FEADLN CCN(Cc1cccc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000739444181 603344710 /nfs/dbraw/zinc/34/47/10/603344710.db2.gz UWVCHSRGCRNKDY-AWEZNQCLSA-N 0 2 364.446 2.029 20 0 FEADLN C[C@@H](NC(=O)Nc1cccc(CN(C)C(=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000738992126 603358218 /nfs/dbraw/zinc/35/82/18/603358218.db2.gz YFUKTDGOUQBYPJ-KGLIPLIRSA-N 0 2 364.446 2.027 20 0 FEADLN CN(CC1CC[NH+]([C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1)C(=O)[O-] ZINC000828260512 603493660 /nfs/dbraw/zinc/49/36/60/603493660.db2.gz UMBAPBJLVPEOGP-OAHLLOKOSA-N 0 2 367.396 2.392 20 0 FEADLN CN(C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1)C(=O)[O-] ZINC000828180488 603493754 /nfs/dbraw/zinc/49/37/54/603493754.db2.gz KYJWVTCOBSUVSU-WFASDCNBSA-N 0 2 367.396 2.392 20 0 FEADLN CN(C[C@@H]1CCC[N@H+]([C@H]2CCN(c3c(F)cccc3F)C2=O)C1)C(=O)[O-] ZINC000828180488 603493755 /nfs/dbraw/zinc/49/37/55/603493755.db2.gz KYJWVTCOBSUVSU-WFASDCNBSA-N 0 2 367.396 2.392 20 0 FEADLN C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)[C@H](CNC(=O)[O-])C1 ZINC000828506979 603518517 /nfs/dbraw/zinc/51/85/17/603518517.db2.gz LBQVDVHSHBKFOC-GFCCVEGCSA-N 0 2 361.373 2.110 20 0 FEADLN C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)[C@H](CNC(=O)[O-])C1 ZINC000828506979 603518521 /nfs/dbraw/zinc/51/85/21/603518521.db2.gz LBQVDVHSHBKFOC-GFCCVEGCSA-N 0 2 361.373 2.110 20 0 FEADLN C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](CNC(=O)[O-])C1 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COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000833701527 604476643 /nfs/dbraw/zinc/47/66/43/604476643.db2.gz KIMDSZAMIINRMX-GUYCJALGSA-N 0 2 373.409 2.245 20 0 FEADLN O=C([O-])[C@H](CNc1nc(NCCO)c2ccccc2[nH+]1)c1ccccc1 ZINC000833162935 604805917 /nfs/dbraw/zinc/80/59/17/604805917.db2.gz ATCRGMCMHDXLHT-OAHLLOKOSA-N 0 2 352.394 2.314 20 0 FEADLN O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000831726044 604903570 /nfs/dbraw/zinc/90/35/70/604903570.db2.gz TWESMBAZDPYMHG-JKSUJKDBSA-N 0 2 371.441 2.398 20 0 FEADLN Cc1sc2nc(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])nc(N)c2c1C ZINC000833758974 604909795 /nfs/dbraw/zinc/90/97/95/604909795.db2.gz YUCCMYGAAXAYAZ-JTQLQIEISA-N 0 2 352.485 2.282 20 0 FEADLN Cc1sc2nc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])nc(N)c2c1C ZINC000833758974 604909797 /nfs/dbraw/zinc/90/97/97/604909797.db2.gz YUCCMYGAAXAYAZ-JTQLQIEISA-N 0 2 352.485 2.282 20 0 FEADLN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000831099119 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2.374 20 0 FEADLN COc1c(C)c[nH+]c(CNS(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1C ZINC000737840079 600230245 /nfs/dbraw/zinc/23/02/45/600230245.db2.gz QFLSHIMKAUSBJO-UHFFFAOYSA-N 0 2 364.423 2.025 20 0 FEADLN C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000736805480 600310212 /nfs/dbraw/zinc/31/02/12/600310212.db2.gz DNZSDAMZPGQQCK-DZGCQCFKSA-N 0 2 374.462 2.326 20 0 FEADLN C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000736805480 600310216 /nfs/dbraw/zinc/31/02/16/600310216.db2.gz DNZSDAMZPGQQCK-DZGCQCFKSA-N 0 2 374.462 2.326 20 0 FEADLN C[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)[N@@H+]1CCc2ccccc2C1 ZINC000736198510 600641434 /nfs/dbraw/zinc/64/14/34/600641434.db2.gz AOCSSWTUSQRVPI-LBPRGKRZSA-N 0 2 359.451 2.180 20 0 FEADLN C[C@@H](C(=O)N(C)c1nc(CC(=O)[O-])cs1)[N@H+]1CCc2ccccc2C1 ZINC000736198510 600641436 /nfs/dbraw/zinc/64/14/36/600641436.db2.gz AOCSSWTUSQRVPI-LBPRGKRZSA-N 0 2 359.451 2.180 20 0 FEADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000832917677 600759460 /nfs/dbraw/zinc/75/94/60/600759460.db2.gz QLBUGKKLXJYYDP-STQMWFEESA-N 0 2 371.441 2.299 20 0 FEADLN NC(=[NH+]OCCCOc1ccc2c(c1)OCO2)c1cccc(C(=O)[O-])c1 ZINC000833079343 600807531 /nfs/dbraw/zinc/80/75/31/600807531.db2.gz WYUNZJQRXYJXBP-UHFFFAOYSA-N 0 2 358.350 2.429 20 0 FEADLN NC(=[NH+]OCC(=O)NCc1cccc(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC000833078049 600809422 /nfs/dbraw/zinc/80/94/22/600809422.db2.gz BARSERCJMMTWPL-UHFFFAOYSA-N 0 2 361.785 2.201 20 0 FEADLN CCOc1ccc(-c2noc(C[N@H+](CC(=O)[O-])C3CCOCC3)n2)cc1 ZINC000578445839 600851931 /nfs/dbraw/zinc/85/19/31/600851931.db2.gz VUEWBWWAZUNKCY-UHFFFAOYSA-N 0 2 361.398 2.201 20 0 FEADLN CCOc1ccc(-c2noc(C[N@@H+](CC(=O)[O-])C3CCOCC3)n2)cc1 ZINC000578445839 600851934 /nfs/dbraw/zinc/85/19/34/600851934.db2.gz VUEWBWWAZUNKCY-UHFFFAOYSA-N 0 2 361.398 2.201 20 0 FEADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1 ZINC000826122903 601088896 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FEADLN CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC000831841673 601566667 /nfs/dbraw/zinc/56/66/67/601566667.db2.gz KRRAMTPWHBKLNZ-WDEREUQCSA-N 0 2 352.456 2.230 20 0 FEADLN O=C([O-])c1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)cc1F ZINC000833107561 601617305 /nfs/dbraw/zinc/61/73/05/601617305.db2.gz FSJDFNPKIDNGFT-UHFFFAOYSA-N 0 2 371.412 2.280 20 0 FEADLN C[C@H]1C[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828463828 601814280 /nfs/dbraw/zinc/81/42/80/601814280.db2.gz RKLOLRKDMNDESZ-FZMZJTMJSA-N 0 2 359.455 2.421 20 0 FEADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828463828 601814281 /nfs/dbraw/zinc/81/42/81/601814281.db2.gz RKLOLRKDMNDESZ-FZMZJTMJSA-N 0 2 359.455 2.421 20 0 FEADLN C[C@H]1C[N@H+](Cn2nnn(-c3ccc(Cl)cc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828473596 601814681 /nfs/dbraw/zinc/81/46/81/601814681.db2.gz YFFSFRXTNSZJER-JOYOIKCWSA-N 0 2 353.835 2.062 20 0 FEADLN C[C@H]1C[N@@H+](Cn2nnn(-c3ccc(Cl)cc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828473596 601814682 /nfs/dbraw/zinc/81/46/82/601814682.db2.gz YFFSFRXTNSZJER-JOYOIKCWSA-N 0 2 353.835 2.062 20 0 FEADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461728 601815469 /nfs/dbraw/zinc/81/54/69/601815469.db2.gz BSSXWLOWYQREIE-MFKMUULPSA-N 0 2 350.419 2.367 20 0 FEADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccc(F)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461728 601815471 /nfs/dbraw/zinc/81/54/71/601815471.db2.gz BSSXWLOWYQREIE-MFKMUULPSA-N 0 2 350.419 2.367 20 0 FEADLN COc1ccccc1Cc1nn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(=S)o1 ZINC000832617996 601817037 /nfs/dbraw/zinc/81/70/37/601817037.db2.gz HKRIGIWIKRCJHC-WCQYABFASA-N 0 2 363.439 2.415 20 0 FEADLN COc1ccccc1Cc1nn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c(=S)o1 ZINC000832617996 601817038 /nfs/dbraw/zinc/81/70/38/601817038.db2.gz HKRIGIWIKRCJHC-WCQYABFASA-N 0 2 363.439 2.415 20 0 FEADLN C[S@@](=O)CC[NH+]1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000832730369 601831698 /nfs/dbraw/zinc/83/16/98/601831698.db2.gz PMQQGGFRYRPXKT-XMMPIXPASA-N 0 2 366.508 2.096 20 0 FEADLN C[S@@](=O)CCN1CC[NH+](Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000832730369 601831700 /nfs/dbraw/zinc/83/17/00/601831700.db2.gz PMQQGGFRYRPXKT-XMMPIXPASA-N 0 2 366.508 2.096 20 0 FEADLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000833222322 601886489 /nfs/dbraw/zinc/88/64/89/601886489.db2.gz VJVHIJUSWDHVGR-AWEZNQCLSA-N 0 2 352.847 2.313 20 0 FEADLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)n1 ZINC000833222322 601886492 /nfs/dbraw/zinc/88/64/92/601886492.db2.gz VJVHIJUSWDHVGR-AWEZNQCLSA-N 0 2 352.847 2.313 20 0 FEADLN Cc1cccn2cc(CC(=O)Nc3nc4c(s3)CN(C(=O)[O-])CC4)[nH+]c12 ZINC000740192129 602025572 /nfs/dbraw/zinc/02/55/72/602025572.db2.gz XDPCHVLDEKTPNR-UHFFFAOYSA-N 0 2 371.422 2.317 20 0 FEADLN COc1cc(OC)cc([C@@H]([NH2+]CC(=O)N2CCc3ccccc32)C(=O)[O-])c1 ZINC000832057320 602170019 /nfs/dbraw/zinc/17/00/19/602170019.db2.gz OFGCEBGVLDGJMC-LJQANCHMSA-N 0 2 370.405 2.008 20 0 FEADLN O=C([O-])COc1ccc(NC(=O)NCCn2cc[nH+]c2)c2ccccc12 ZINC000833258637 602223577 /nfs/dbraw/zinc/22/35/77/602223577.db2.gz SKIHGPONFOZFEZ-UHFFFAOYSA-N 0 2 354.366 2.321 20 0 FEADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000832919175 602320907 /nfs/dbraw/zinc/32/09/07/602320907.db2.gz WZTYOYSOAVQCNG-WFASDCNBSA-N 0 2 363.439 2.162 20 0 FEADLN O=C([O-])Nc1ccc(CCNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000833288107 602344883 /nfs/dbraw/zinc/34/48/83/602344883.db2.gz UADCSPDPGYQQDU-UHFFFAOYSA-N 0 2 353.382 2.466 20 0 FEADLN Cn1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C(=O)[O-] ZINC000833051029 602379488 /nfs/dbraw/zinc/37/94/88/602379488.db2.gz OHKQKTYHEJRSFM-UHFFFAOYSA-N 0 2 357.345 2.370 20 0 FEADLN C[C@@H]1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828276863 602386060 /nfs/dbraw/zinc/38/60/60/602386060.db2.gz GBXGQADHFFTQKA-PBHICJAKSA-N 0 2 372.425 2.139 20 0 FEADLN C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000828295689 602386992 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358.435 2.064 20 0 FEADLN CN(C[C@@H]1CC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1)C(=O)[O-] ZINC000739664530 602541884 /nfs/dbraw/zinc/54/18/84/602541884.db2.gz GYZSODDPZGQQGI-JTQLQIEISA-N 0 2 362.455 2.317 20 0 FEADLN CN(C[C@@H]1CC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1)C(=O)[O-] ZINC000739664530 602541886 /nfs/dbraw/zinc/54/18/86/602541886.db2.gz GYZSODDPZGQQGI-JTQLQIEISA-N 0 2 362.455 2.317 20 0 FEADLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000738940255 602561004 /nfs/dbraw/zinc/56/10/04/602561004.db2.gz QAIDUAIJMQSGDF-MRVPVSSYSA-N 0 2 362.199 2.115 20 0 FEADLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000738940255 602561005 /nfs/dbraw/zinc/56/10/05/602561005.db2.gz QAIDUAIJMQSGDF-MRVPVSSYSA-N 0 2 362.199 2.115 20 0 FEADLN O=C([O-])N1CC[C@@H](CCNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000740425160 602694788 /nfs/dbraw/zinc/69/47/88/602694788.db2.gz DHIHLENTEISFKA-OAHLLOKOSA-N 0 2 371.441 2.121 20 0 FEADLN C[C@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)[C@@H](NC(=O)[O-])c1ccccc1 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CC(C)(C)C[C@@H](C(=O)[O-])n1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000833423726 605154407 /nfs/dbraw/zinc/15/44/07/605154407.db2.gz XCFHWFVAIYTSHU-HOTGVXAUSA-N 0 2 373.457 2.309 20 0 FEADLN CC(C)(C)C[C@@H](C(=O)[O-])n1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000833423726 605154409 /nfs/dbraw/zinc/15/44/09/605154409.db2.gz XCFHWFVAIYTSHU-HOTGVXAUSA-N 0 2 373.457 2.309 20 0 FEADLN CC(C)(C)OC(=O)N1CC[NH+](CCOc2ccccc2C(=O)[O-])CC1 ZINC000301890284 605213947 /nfs/dbraw/zinc/21/39/47/605213947.db2.gz IBMASBAODGXUBZ-UHFFFAOYSA-N 0 2 350.415 2.316 20 0 FEADLN C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828416648 605279517 /nfs/dbraw/zinc/27/95/17/605279517.db2.gz LXHPGIZBLNJQDA-VIFPVBQESA-N 0 2 356.304 2.338 20 0 FEADLN C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828416648 605279518 /nfs/dbraw/zinc/27/95/18/605279518.db2.gz LXHPGIZBLNJQDA-VIFPVBQESA-N 0 2 356.304 2.338 20 0 FEADLN CN(C(=O)[O-])[C@H]1CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000827890380 605281289 /nfs/dbraw/zinc/28/12/89/605281289.db2.gz QAESYFGZZWJANO-VIFPVBQESA-N 0 2 356.304 2.338 20 0 FEADLN CN(C(=O)[O-])[C@H]1CC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000827890380 605281290 /nfs/dbraw/zinc/28/12/90/605281290.db2.gz QAESYFGZZWJANO-VIFPVBQESA-N 0 2 356.304 2.338 20 0 FEADLN CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[C@H]1NC(=O)[O-] ZINC000833850387 605313424 /nfs/dbraw/zinc/31/34/24/605313424.db2.gz XLWVAMHQQCUZEK-GDBMZVCRSA-N 0 2 371.441 2.450 20 0 FEADLN Cn1c(C2CC2)nn(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c1=S ZINC000833941621 605326617 /nfs/dbraw/zinc/32/66/17/605326617.db2.gz OEQTWWGSLKRYCN-RWMBFGLXSA-N 0 2 351.476 2.154 20 0 FEADLN Cn1c(C2CC2)nn(C[N@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c1=S ZINC000833941621 605326626 /nfs/dbraw/zinc/32/66/26/605326626.db2.gz OEQTWWGSLKRYCN-RWMBFGLXSA-N 0 2 351.476 2.154 20 0 FEADLN O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)NCC[NH+]3Cc4ccccc4C3)C[C@@H]21 ZINC000834184480 605382099 /nfs/dbraw/zinc/38/20/99/605382099.db2.gz WLQBIZLVDSOZTM-OKZBNKHCSA-N 0 2 372.469 2.080 20 0 FEADLN CC[C@@](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)(C(=O)[O-])c1ccccc1 ZINC000833643042 605453134 /nfs/dbraw/zinc/45/31/34/605453134.db2.gz LZHLXKFFCNZUKU-IBGZPJMESA-N 0 2 350.378 2.387 20 0 FEADLN O=C([O-])N[C@@H]1CCC[C@H]2CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@H]21 ZINC000834179608 605490706 /nfs/dbraw/zinc/49/07/06/605490706.db2.gz MMPGQVHKYKMFGB-OKZBNKHCSA-N 0 2 368.437 2.440 20 0 FEADLN O=C([O-])N1CCOC[C@@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000834117415 605701536 /nfs/dbraw/zinc/70/15/36/605701536.db2.gz RBTZPNIZFLRXMJ-CQSZACIVSA-N 0 2 355.354 2.033 20 0 FEADLN O=C([O-])N1CCOC[C@H]1c1noc(-c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000834117411 605701656 /nfs/dbraw/zinc/70/16/56/605701656.db2.gz RBTZPNIZFLRXMJ-AWEZNQCLSA-N 0 2 355.354 2.033 20 0 FEADLN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739859990 605910892 /nfs/dbraw/zinc/91/08/92/605910892.db2.gz LKUFICGPXGGKBS-MNOVXSKESA-N 0 2 355.822 2.326 20 0 FEADLN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000739859990 605910894 /nfs/dbraw/zinc/91/08/94/605910894.db2.gz LKUFICGPXGGKBS-MNOVXSKESA-N 0 2 355.822 2.326 20 0 FEADLN O=C([O-])N[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000740596204 605930731 /nfs/dbraw/zinc/93/07/31/605930731.db2.gz MDWFCQZQVFMLLM-JTQLQIEISA-N 0 2 357.204 2.062 20 0 FEADLN O=C([O-])N[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000740596204 605930727 /nfs/dbraw/zinc/93/07/27/605930727.db2.gz MDWFCQZQVFMLLM-JTQLQIEISA-N 0 2 357.204 2.062 20 0 FEADLN O=C([O-])N1CCC2(CCN(C(=O)NCc3ccn4cc[nH+]c4c3)C2)CC1 ZINC000834090778 605935058 /nfs/dbraw/zinc/93/50/58/605935058.db2.gz URMDQZUHPKSNJK-UHFFFAOYSA-N 0 2 357.414 2.010 20 0 FEADLN O=C([O-])N1CCC([C@@H]([NH2+]Cc2nnnn2C2CC2)c2ccc(F)cc2)CC1 ZINC000834072834 605984075 /nfs/dbraw/zinc/98/40/75/605984075.db2.gz DLFOONFFAJVIBE-KRWDZBQOSA-N 0 2 374.420 2.368 20 0 FEADLN O=C([O-])Nc1ccc(Cc2nc(C(=O)NCCn3cc[nH+]c3)cs2)cc1 ZINC000834260670 606076459 /nfs/dbraw/zinc/07/64/59/606076459.db2.gz WECXGQMYCUBXPJ-UHFFFAOYSA-N 0 2 371.422 2.450 20 0 FEADLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(C(F)F)cc3)C2)[nH]1 ZINC000559096890 674528039 /nfs/dbraw/zinc/52/80/39/674528039.db2.gz HADYLYRUPCPGIF-GFCCVEGCSA-N 0 2 372.397 2.157 20 0 FEADLN Cc1cccc(O)c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822327401 606215171 /nfs/dbraw/zinc/21/51/71/606215171.db2.gz HRHMWQYWZOHWJG-UHFFFAOYSA-N 0 2 365.802 2.335 20 0 FEADLN CC(C)(C)n1cc(-c2nn[nH]n2)c(NS(=O)(=O)C=Cc2ccccc2)n1 ZINC000819972041 606620928 /nfs/dbraw/zinc/62/09/28/606620928.db2.gz YLESQAVYPYYZLJ-KTKRTIGZSA-N 0 2 373.442 2.231 20 0 FEADLN Clc1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc1-c1nn[nH]n1 ZINC000826352295 608234140 /nfs/dbraw/zinc/23/41/40/608234140.db2.gz WAMNEKGGRPIHLX-SNVBAGLBSA-N 0 2 371.836 2.295 20 0 FEADLN CC[C@H]1CC[C@@H](C)N1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000825193363 608245669 /nfs/dbraw/zinc/24/56/69/608245669.db2.gz LDPMHHJJYVQINC-MFKMUULPSA-N 0 2 358.446 2.306 20 0 FEADLN COc1ccc(F)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000826209356 608528559 /nfs/dbraw/zinc/52/85/59/608528559.db2.gz YPSONEQDIFFTIS-UHFFFAOYSA-N 0 2 363.374 2.124 20 0 FEADLN O=S(=O)(Nc1ccc(F)cc1O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826492809 609531226 /nfs/dbraw/zinc/53/12/26/609531226.db2.gz FLRLNCODXWWGSO-UHFFFAOYSA-N 0 2 369.765 2.166 20 0 FEADLN Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)n2ncnc2n1 ZINC000559840816 674558071 /nfs/dbraw/zinc/55/80/71/674558071.db2.gz OHAMEZSRGGADLM-UHFFFAOYSA-N 0 2 357.317 2.252 20 0 FEADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1ccc2c(c1)COC2 ZINC000560251262 674573351 /nfs/dbraw/zinc/57/33/51/674573351.db2.gz DDDQKKUCYUNDIS-UHFFFAOYSA-N 0 2 367.452 2.263 20 0 FEADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)s1 ZINC000560278186 674574601 /nfs/dbraw/zinc/57/46/01/674574601.db2.gz XNCRPMQSCXZRQJ-CQSZACIVSA-N 0 2 352.437 2.391 20 0 FEADLN CCOc1ccc(SCC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000560473495 674591298 /nfs/dbraw/zinc/59/12/98/674591298.db2.gz QPQONEMJQOULNV-LBPRGKRZSA-N 0 2 362.455 2.407 20 0 FEADLN CN(C)c1cccc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c1 ZINC000562359635 674745771 /nfs/dbraw/zinc/74/57/71/674745771.db2.gz ZILYLTMGSJIYRM-UHFFFAOYSA-N 0 2 357.439 2.193 20 0 FEADLN CCC[C@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000562497233 674762639 /nfs/dbraw/zinc/76/26/39/674762639.db2.gz BIOGDGADMILGBW-STQMWFEESA-N 0 2 364.471 2.247 20 0 FEADLN N=C1NC(=O)C(CC(=O)Nc2ccc(Cl)cc2OCC(F)F)S1 ZINC000813789200 674780229 /nfs/dbraw/zinc/78/02/29/674780229.db2.gz LXFYYMNAGLCCRV-VIFPVBQESA-N 0 2 363.773 2.479 20 0 FEADLN COC(=O)c1ccc(S(=O)(=O)Nc2cncnc2)cc1C(F)(F)F ZINC000562841585 674815328 /nfs/dbraw/zinc/81/53/28/674815328.db2.gz PFMBZJBADWVGHN-UHFFFAOYSA-N 0 2 361.301 2.083 20 0 FEADLN CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2F)s1 ZINC000562920757 674822861 /nfs/dbraw/zinc/82/28/61/674822861.db2.gz VNBFZWMZJJUVNS-UHFFFAOYSA-N 0 2 359.404 2.217 20 0 FEADLN Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000563231030 674863017 /nfs/dbraw/zinc/86/30/17/674863017.db2.gz YOVCCCDGXNGVBP-WDEREUQCSA-N 0 2 360.863 2.060 20 0 FEADLN Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1C(=O)[O-] ZINC000563231030 674863022 /nfs/dbraw/zinc/86/30/22/674863022.db2.gz YOVCCCDGXNGVBP-WDEREUQCSA-N 0 2 360.863 2.060 20 0 FEADLN CCC/N=C1\NC(=O)C(CC(=O)Nc2cc(OC)ccc2OC)S1 ZINC000021883721 670036295 /nfs/dbraw/zinc/03/62/95/670036295.db2.gz GERCCSMAABIAAN-CYBMUJFWSA-N 0 2 351.428 2.030 20 0 FEADLN O=C(NNC(=O)c1ccccn1)c1cc2cc(Br)ccc2[nH]1 ZINC000044288085 670188834 /nfs/dbraw/zinc/18/88/34/670188834.db2.gz GAKQMJWETDPZID-UHFFFAOYSA-N 0 2 359.183 2.400 20 0 FEADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1 ZINC000045867930 670210133 /nfs/dbraw/zinc/21/01/33/670210133.db2.gz TYTGBPCWDIKQAS-UHFFFAOYSA-N 0 2 362.432 2.439 20 0 FEADLN O=S(=O)(Nc1c[nH]nc1C1CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000565232855 675104201 /nfs/dbraw/zinc/10/42/01/675104201.db2.gz FMSWGVOKHIRQKZ-UHFFFAOYSA-N 0 2 362.333 2.424 20 0 FEADLN CCCNC(=O)NNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000068930268 670477596 /nfs/dbraw/zinc/47/75/96/670477596.db2.gz YZGZYNQVYIERCB-UHFFFAOYSA-N 0 2 366.219 2.193 20 0 FEADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NS(C)(=O)=O ZINC000569420113 670556117 /nfs/dbraw/zinc/55/61/17/670556117.db2.gz IGAQAXVBLLJWMQ-UHFFFAOYSA-N 0 2 358.416 2.306 20 0 FEADLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccn(Cc2ccccn2)n1 ZINC000817350209 675123436 /nfs/dbraw/zinc/12/34/36/675123436.db2.gz ACWADOYYAGLJJJ-HNNXBMFYSA-N 0 2 352.460 2.129 20 0 FEADLN Cc1nn(C)cc1S(=O)(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000570195253 670676506 /nfs/dbraw/zinc/67/65/06/670676506.db2.gz JDEXJLTZIHWJSM-UHFFFAOYSA-N 0 2 367.431 2.111 20 0 FEADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1 ZINC000088330309 670690567 /nfs/dbraw/zinc/69/05/67/670690567.db2.gz RCFFABIFULBUAL-UHFFFAOYSA-N 0 2 353.831 2.214 20 0 FEADLN CC(C)C[C@@H](C)N(C)C(=O)CS(=O)(=O)c1n[nH]c(-c2ccccc2)n1 ZINC000570359365 670701969 /nfs/dbraw/zinc/70/19/69/670701969.db2.gz AIWOFFZSFSCZIS-CYBMUJFWSA-N 0 2 364.471 2.138 20 0 FEADLN COc1ccnc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000089641775 670703641 /nfs/dbraw/zinc/70/36/41/670703641.db2.gz XJMAMIDLDSBQCZ-UHFFFAOYSA-N 0 2 350.293 3.049 20 0 FEADLN COc1cccc2c(NCC3CCS(=O)(=O)CC3)c(C(=O)[O-])c[nH+]c12 ZINC000571214295 670836076 /nfs/dbraw/zinc/83/60/76/670836076.db2.gz ZDCWLCSPGYJEBB-UHFFFAOYSA-N 0 2 364.423 2.178 20 0 FEADLN O=C([O-])CC1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000571284336 670849313 /nfs/dbraw/zinc/84/93/13/670849313.db2.gz RTMORTDPMRNINU-UHFFFAOYSA-N 0 2 350.846 2.459 20 0 FEADLN O=C([O-])CC1(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CCC1 ZINC000571284336 670849320 /nfs/dbraw/zinc/84/93/20/670849320.db2.gz RTMORTDPMRNINU-UHFFFAOYSA-N 0 2 350.846 2.459 20 0 FEADLN CCn1c(=O)c2ccc(C(=O)OCCc3cccnc3)cc2[nH]c1=S ZINC000113666550 670887174 /nfs/dbraw/zinc/88/71/74/670887174.db2.gz 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Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-] ZINC000830170056 603561760 /nfs/dbraw/zinc/56/17/60/603561760.db2.gz ATEAQXUPWXKEII-CYBMUJFWSA-N 0 2 373.457 2.324 20 0 FEADLN CN(C[C@H]1CCC[N@@H+]1CN1C(=S)N=NC1Cc1cccs1)C(=O)[O-] ZINC000828229658 603608999 /nfs/dbraw/zinc/60/89/99/603608999.db2.gz GQJJHFRSEIHTRP-LLVKDONJSA-N 0 2 367.500 2.251 20 0 FEADLN CN(C[C@H]1CCC[N@H+]1CN1C(=S)N=NC1Cc1cccs1)C(=O)[O-] ZINC000828229658 603609002 /nfs/dbraw/zinc/60/90/02/603609002.db2.gz GQJJHFRSEIHTRP-LLVKDONJSA-N 0 2 367.500 2.251 20 0 FEADLN O=C([O-])N1CCC([N@H+](Cn2c(=O)scc2C(F)(F)F)C2CC2)CC1 ZINC000831941969 603912259 /nfs/dbraw/zinc/91/22/59/603912259.db2.gz KPDKSTVVSVGPKG-UHFFFAOYSA-N 0 2 365.377 2.493 20 0 FEADLN O=C([O-])N1CCC([N@@H+](Cn2c(=O)scc2C(F)(F)F)C2CC2)CC1 ZINC000831941969 603912261 /nfs/dbraw/zinc/91/22/61/603912261.db2.gz KPDKSTVVSVGPKG-UHFFFAOYSA-N 0 2 365.377 2.493 20 0 FEADLN C[C@@H](NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000825149591 603913146 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604795208 /nfs/dbraw/zinc/79/52/08/604795208.db2.gz LVVCCVVQZXDODJ-UHFFFAOYSA-N 0 2 356.382 2.134 20 0 FEADLN CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)O1 ZINC000833578531 604825097 /nfs/dbraw/zinc/82/50/97/604825097.db2.gz JQAFHSMGSNCXHH-HNNXBMFYSA-N 0 2 364.829 2.245 20 0 FEADLN CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)C1 ZINC000649405701 604872770 /nfs/dbraw/zinc/87/27/70/604872770.db2.gz IMLBMJCQNUAQMM-LSDHHAIUSA-N 0 2 362.474 2.013 20 0 FEADLN CC(C)(C(=O)[O-])[C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000649405701 604872771 /nfs/dbraw/zinc/87/27/71/604872771.db2.gz IMLBMJCQNUAQMM-LSDHHAIUSA-N 0 2 362.474 2.013 20 0 FEADLN O=C([O-])N[C@@H](CC(=O)NCc1ccn2cc[nH+]c2c1)Cc1ccccc1 ZINC000832105213 604874876 /nfs/dbraw/zinc/87/48/76/604874876.db2.gz LMDYXVVTIHVRCS-MRXNPFEDSA-N 0 2 352.394 2.220 20 0 FEADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1)C(=O)[O-] ZINC000833640244 605089304 /nfs/dbraw/zinc/08/93/04/605089304.db2.gz 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324777251 /nfs/dbraw/zinc/77/72/51/324777251.db2.gz YVNLMOLUNTWZMB-UHFFFAOYSA-N 0 2 371.422 2.392 20 0 FEADLN CCc1ccc(C(C)(C)CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1 ZINC000079993415 325112733 /nfs/dbraw/zinc/11/27/33/325112733.db2.gz BCJIQOGSVVBFBD-UHFFFAOYSA-N 0 2 366.421 2.294 20 0 FEADLN O=S(=O)(NCCc1nc[nH]n1)c1c(Cl)cc(Cl)cc1Cl ZINC000080623961 325138232 /nfs/dbraw/zinc/13/82/32/325138232.db2.gz PFJICGVDPMNJRE-UHFFFAOYSA-N 0 2 355.634 2.286 20 0 FEADLN O=C(Nc1ccc2oc(=O)[nH]c2c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000081937460 325203486 /nfs/dbraw/zinc/20/34/86/325203486.db2.gz QLJSPANSUUBIDV-UHFFFAOYSA-N 0 2 354.297 2.404 20 0 FEADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCNC(=O)[C@H]3C(C)C)=N2)c1 ZINC000084388876 325234811 /nfs/dbraw/zinc/23/48/11/325234811.db2.gz MCIWIRPBYATPMA-GOSISDBHSA-N 0 2 370.453 2.298 20 0 FEADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H]3CCN(C(C)C)C3=O)=N2)c1 ZINC000084403607 325235278 /nfs/dbraw/zinc/23/52/78/325235278.db2.gz VDYFQPIQPJBGGT-MRXNPFEDSA-N 0 2 370.453 2.440 20 0 FEADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cc(C)ccc2O)s1 ZINC000089102746 325303905 /nfs/dbraw/zinc/30/39/05/325303905.db2.gz SFFWBQNAQBSMFJ-UHFFFAOYSA-N 0 2 354.453 2.242 20 0 FEADLN O=C([O-])c1csc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000237964149 328535832 /nfs/dbraw/zinc/53/58/32/328535832.db2.gz INLYRXLDFRQJRR-UHFFFAOYSA-N 0 2 363.420 2.111 20 0 FEADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000112266978 325765062 /nfs/dbraw/zinc/76/50/62/325765062.db2.gz JUOQDNJOPSSEEL-UHFFFAOYSA-N 0 2 371.484 2.151 20 0 FEADLN O=C([O-])CCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000116348815 326008407 /nfs/dbraw/zinc/00/84/07/326008407.db2.gz YWOWXQSAXBSMIE-UHFFFAOYSA-N 0 2 362.451 2.011 20 0 FEADLN C[C@@H]1CN(C(=O)c2c[nH]c3c(cnn3C)c2=O)C[C@H](c2ccc(F)cc2)O1 ZINC000119285880 326145820 /nfs/dbraw/zinc/14/58/20/326145820.db2.gz LPBVBRFJMNSARQ-BDJLRTHQSA-N 0 2 370.384 2.415 20 0 FEADLN CCc1nnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)s1 ZINC000119586610 326177934 /nfs/dbraw/zinc/17/79/34/326177934.db2.gz RBVCBPGIKHMIQB-UHFFFAOYSA-N 0 2 352.441 2.131 20 0 FEADLN O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1cccc2ncccc21 ZINC000120020894 326222237 /nfs/dbraw/zinc/22/22/37/326222237.db2.gz IBCJCXJSDUIMTG-AWEZNQCLSA-N 0 2 358.423 2.411 20 0 FEADLN CN(C)c1ncccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000120990166 326304551 /nfs/dbraw/zinc/30/45/51/326304551.db2.gz BYTAIDATWVNFRC-UHFFFAOYSA-N 0 2 357.439 2.193 20 0 FEADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000121352122 326332303 /nfs/dbraw/zinc/33/23/03/326332303.db2.gz OJXONMSEWSOJTC-UHFFFAOYSA-N 0 2 365.430 2.475 20 0 FEADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2OCCC(N)=O)cc1F ZINC000121523731 326345126 /nfs/dbraw/zinc/34/51/26/326345126.db2.gz BTYPJJOYXOECCS-UHFFFAOYSA-N 0 2 370.377 2.328 20 0 FEADLN Cc1cc(C)cc(CCC(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 ZINC000122230377 326388902 /nfs/dbraw/zinc/38/89/02/326388902.db2.gz BMDTZZJYDPLCFK-UHFFFAOYSA-N 0 2 354.457 2.098 20 0 FEADLN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1S(C)(=O)=O ZINC000134627106 326628900 /nfs/dbraw/zinc/62/89/00/326628900.db2.gz XYTNSKQRTSJWST-UHFFFAOYSA-N 0 2 361.391 2.478 20 0 FEADLN CCCS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000153419954 326732427 /nfs/dbraw/zinc/73/24/27/326732427.db2.gz FVQPTTZARZUAIP-AWEZNQCLSA-N 0 2 364.471 2.101 20 0 FEADLN Cn1ccnc1-c1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000155962822 326812158 /nfs/dbraw/zinc/81/21/58/326812158.db2.gz ZMRVZGYBYUVXCJ-OAHLLOKOSA-N 0 2 373.438 2.046 20 0 FEADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(C)c(F)c2)cn1 ZINC000164844902 327074812 /nfs/dbraw/zinc/07/48/12/327074812.db2.gz IKMAUOAPUUZDJJ-UHFFFAOYSA-N 0 2 369.418 2.430 20 0 FEADLN CCC(CC)N1C[C@H](C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CC1=O ZINC000171491183 327142446 /nfs/dbraw/zinc/14/24/46/327142446.db2.gz GYIARYZFEMHPFM-GFCCVEGCSA-N 0 2 358.398 2.006 20 0 FEADLN Cc1ccc(-n2[n-]c(C(=O)NCc3cn4c(cccc4C)[nH+]3)cc2=O)cc1 ZINC000172803630 327219867 /nfs/dbraw/zinc/21/98/67/327219867.db2.gz RGMWUAFFOFRAAG-UHFFFAOYSA-N 0 2 361.405 2.360 20 0 FEADLN COCCCCNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000173035515 327231854 /nfs/dbraw/zinc/23/18/54/327231854.db2.gz CVKWKPOEQYUBJA-UHFFFAOYSA-N 0 2 370.805 2.282 20 0 FEADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCOC2)c(F)c1Cl ZINC000173123555 327236361 /nfs/dbraw/zinc/23/63/61/327236361.db2.gz XXUCRDFNOLCZIA-MRVPVSSYSA-N 0 2 368.789 2.034 20 0 FEADLN O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000174024032 327302130 /nfs/dbraw/zinc/30/21/30/327302130.db2.gz YMLYZVDEYDFVIN-UHFFFAOYSA-N 0 2 357.391 2.444 20 0 FEADLN NC(=O)CCNc1ccccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000174268440 327316453 /nfs/dbraw/zinc/31/64/53/327316453.db2.gz BBIRYTNUAICFJW-UHFFFAOYSA-N 0 2 355.366 2.053 20 0 FEADLN Cc1cc(C(=O)NCc2ccc3ccccc3c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000174570802 327335653 /nfs/dbraw/zinc/33/56/53/327335653.db2.gz OXZVPRVSEBLQKF-UHFFFAOYSA-N 0 2 360.373 2.415 20 0 FEADLN Cc1ccc(Cl)cc1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174710852 327344986 /nfs/dbraw/zinc/34/49/86/327344986.db2.gz ORYYBKQIRBWZGK-UHFFFAOYSA-N 0 2 352.910 2.156 20 0 FEADLN COCCCOC1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000174723410 327345979 /nfs/dbraw/zinc/34/59/79/327345979.db2.gz DORDFVTVKGDHPV-UHFFFAOYSA-N 0 2 359.426 2.236 20 0 FEADLN C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000174830935 327353990 /nfs/dbraw/zinc/35/39/90/327353990.db2.gz UCWSCHJVWZVCFA-FPOVZHCZSA-N 0 2 372.557 2.041 20 0 FEADLN NC(=O)c1ccc(CNC(=O)c2cc(Br)cc(Cl)c2O)o1 ZINC000174982858 327365254 /nfs/dbraw/zinc/36/52/54/327365254.db2.gz AMWWVBMWFYAOBS-UHFFFAOYSA-N 0 2 373.590 2.430 20 0 FEADLN C[C@@H](C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)C1CC1 ZINC000175266033 327383425 /nfs/dbraw/zinc/38/34/25/327383425.db2.gz JKDIHZAILNCTFU-SECBINFHSA-N 0 2 352.441 2.324 20 0 FEADLN COCCn1nc(C)c(NS(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000175974013 327425683 /nfs/dbraw/zinc/42/56/83/327425683.db2.gz VPUXXZGPKXTEDJ-UHFFFAOYSA-N 0 2 363.361 2.364 20 0 FEADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2n[nH]c3cccc(F)c32)c1 ZINC000176417946 327454819 /nfs/dbraw/zinc/45/48/19/327454819.db2.gz QSQKBTUJFTZOIH-UHFFFAOYSA-N 0 2 362.386 2.205 20 0 FEADLN COCC[C@@](C)(O)CNC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000176609660 327466030 /nfs/dbraw/zinc/46/60/30/327466030.db2.gz HFVSXGCTKGQERT-LJQANCHMSA-N 0 2 361.442 2.219 20 0 FEADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@H](OCCO)C3)=N2)cc1 ZINC000178666777 327599131 /nfs/dbraw/zinc/59/91/31/327599131.db2.gz GXRLBWQAQOZFMV-KRWDZBQOSA-N 0 2 373.453 2.315 20 0 FEADLN O=C([O-])c1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000263290847 328930939 /nfs/dbraw/zinc/93/09/39/328930939.db2.gz MDEAQUCYACWISV-SFHVURJKSA-N 0 2 354.406 2.188 20 0 FEADLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000264833581 329065825 /nfs/dbraw/zinc/06/58/25/329065825.db2.gz LTBBFRGGJKNUEV-VIFPVBQESA-N 0 2 368.436 2.444 20 0 FEADLN COC(=O)CCCOc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 ZINC000264896014 329072110 /nfs/dbraw/zinc/07/21/10/329072110.db2.gz ZBEXKHFKNFFEAR-UHFFFAOYSA-N 0 2 368.411 2.424 20 0 FEADLN CCn1cc(S(=O)(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)cn1 ZINC000265290727 329111297 /nfs/dbraw/zinc/11/12/97/329111297.db2.gz VBIKEBNAPDZFDM-UHFFFAOYSA-N 0 2 366.443 2.338 20 0 FEADLN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cn2)cc1 ZINC000265309630 329112907 /nfs/dbraw/zinc/11/29/07/329112907.db2.gz RYELNKDBIRILKK-UHFFFAOYSA-N 0 2 365.455 2.364 20 0 FEADLN COC(=O)N(C)Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000265314062 329113523 /nfs/dbraw/zinc/11/35/23/329113523.db2.gz STTBXADHOHLTIO-UHFFFAOYSA-N 0 2 352.416 2.026 20 0 FEADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2c(C)nn(CC)c2C)c1 ZINC000266117138 329191817 /nfs/dbraw/zinc/19/18/17/329191817.db2.gz XQKVNFXSRLSCRW-UHFFFAOYSA-N 0 2 364.471 2.460 20 0 FEADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NC[C@@H](O)C3CCOCC3)=N2)cc1 ZINC000266495042 329229324 /nfs/dbraw/zinc/22/93/24/329229324.db2.gz UGNZFRZCMUHSRA-QGZVFWFLSA-N 0 2 373.453 2.219 20 0 FEADLN O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000266737608 329254673 /nfs/dbraw/zinc/25/46/73/329254673.db2.gz LEBQSKNPHHQFKR-UHFFFAOYSA-N 0 2 371.460 2.077 20 0 FEADLN Cc1cc(C(=O)NC[C@@H]2CCOc3ccccc32)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000266858604 329266402 /nfs/dbraw/zinc/26/64/02/329266402.db2.gz TVCLCFLBPKLSLQ-NSHDSACASA-N 0 2 366.377 2.041 20 0 FEADLN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)c([O-])c(F)c1 ZINC000267039769 329285814 /nfs/dbraw/zinc/28/58/14/329285814.db2.gz HFDCSMOCHLOZQO-HNNXBMFYSA-N 0 2 362.376 2.301 20 0 FEADLN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)c([O-])c(F)c1 ZINC000267039769 329285815 /nfs/dbraw/zinc/28/58/15/329285815.db2.gz HFDCSMOCHLOZQO-HNNXBMFYSA-N 0 2 362.376 2.301 20 0 FEADLN COc1ncc(C)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000267087504 329290579 /nfs/dbraw/zinc/29/05/79/329290579.db2.gz TYRGGTIOIMOBMM-UHFFFAOYSA-N 0 2 361.423 2.092 20 0 FEADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c1 ZINC000267443319 329327919 /nfs/dbraw/zinc/32/79/19/329327919.db2.gz WHBFPPONCMJCKQ-UHFFFAOYSA-N 0 2 355.441 2.324 20 0 FEADLN CO[C@]1(C)C[C@H](N(C)C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)C1(C)C ZINC000267627765 329344723 /nfs/dbraw/zinc/34/47/23/329344723.db2.gz PITRNFMAHKMVHB-BBATYDOGSA-N 0 2 360.414 2.020 20 0 FEADLN Cc1nnc(CNC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)n1C ZINC000267866207 329364170 /nfs/dbraw/zinc/36/41/70/329364170.db2.gz SYUPBOPNLHVPML-UHFFFAOYSA-N 0 2 354.414 2.068 20 0 FEADLN Cc1cc(C(=O)N(C)CCOCc2ccccc2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000268352138 329411010 /nfs/dbraw/zinc/41/10/10/329411010.db2.gz IXAUOTAZOLFYMB-UHFFFAOYSA-N 0 2 368.393 2.033 20 0 FEADLN COC(=O)c1sc(NS(=O)(=O)c2cc(OC)cc(OC)c2)nc1C ZINC000269004452 329476869 /nfs/dbraw/zinc/47/68/69/329476869.db2.gz ZAXNNFINZUJNGW-UHFFFAOYSA-N 0 2 372.424 2.056 20 0 FEADLN CCOC(=O)Cc1nnc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)s1 ZINC000269671652 329539043 /nfs/dbraw/zinc/53/90/43/329539043.db2.gz BFNNRHZJLDYDEG-UHFFFAOYSA-N 0 2 373.431 2.200 20 0 FEADLN 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356.425 2.356 20 0 FEADLN C[C@H]1C[C@@H](CCNC(=O)C(=O)N=c2ncn(C(C)(C)C)[nH]2)CC(C)(C)C1 ZINC000447337425 560160497 /nfs/dbraw/zinc/16/04/97/560160497.db2.gz GVOOMIFPNUUETK-UONOGXRCSA-N 0 2 363.506 2.940 20 0 FEADLN CCc1nnc([C@@H](C)S(=O)(=O)c2n[nH]c(-c3ccc4c(c3)CCC4)n2)o1 ZINC000447498833 560163172 /nfs/dbraw/zinc/16/31/72/560163172.db2.gz KDZCGTZNDGGRAG-SNVBAGLBSA-N 0 2 373.438 2.441 20 0 FEADLN COC(=O)[C@@H]1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)[C@H]1C ZINC000447586072 560164826 /nfs/dbraw/zinc/16/48/26/560164826.db2.gz LHZBQOUTYSJDLQ-GXFFZTMASA-N 0 2 363.801 2.255 20 0 FEADLN C[C@@H](O)CCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000447624866 560165510 /nfs/dbraw/zinc/16/55/10/560165510.db2.gz SFZWKIUPFUIDHZ-GFCCVEGCSA-N 0 2 368.480 2.440 20 0 FEADLN Cc1nnc(-c2cccc(NS(=O)(=O)c3cnn(C(C)C)c3)c2)n1C ZINC000448133830 560178673 /nfs/dbraw/zinc/17/86/73/560178673.db2.gz ZYFGHWKUGNKQOY-UHFFFAOYSA-N 0 2 360.443 2.369 20 0 FEADLN COC(=O)[C@H](CNC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc(C)cc1 ZINC000448157150 560179279 /nfs/dbraw/zinc/17/92/79/560179279.db2.gz QUIIZMFTDGSUSB-OAHLLOKOSA-N 0 2 354.410 2.741 20 0 FEADLN O=C(NCCSCCCO)c1cc(Br)c(F)cc1O ZINC000450113994 560251118 /nfs/dbraw/zinc/25/11/18/560251118.db2.gz QYAVCUVUXROULX-UHFFFAOYSA-N 0 2 352.225 2.139 20 0 FEADLN CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](N=c2[nH]ncs2)C1=O ZINC000450470835 560263355 /nfs/dbraw/zinc/26/33/55/560263355.db2.gz BNZYXQCJFHHIHF-UONOGXRCSA-N 0 2 374.466 2.634 20 0 FEADLN CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000450506148 560264468 /nfs/dbraw/zinc/26/44/68/560264468.db2.gz HUTPLVZPIPDAMN-LLVKDONJSA-N 0 2 359.195 2.035 20 0 FEADLN CC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)CC(=O)N1 ZINC000450692702 560270357 /nfs/dbraw/zinc/27/03/57/560270357.db2.gz COVUNSAABKAEHV-VHSXEESVSA-N 0 2 363.805 2.074 20 0 FEADLN Cc1c(CCC(=O)Nc2nc(-c3ccc(O)c(Cl)c3)n[nH]2)cnn1C ZINC000450699804 560270574 /nfs/dbraw/zinc/27/05/74/560270574.db2.gz RWLQWZUKIQWFBQ-UHFFFAOYSA-N 0 2 360.805 2.444 20 0 FEADLN O=C1N=NC([C@@H]2CCCN(Cc3cn(-c4ccc(Cl)cc4)nn3)C2)O1 ZINC000450896741 560277186 /nfs/dbraw/zinc/27/71/86/560277186.db2.gz OGGTZQVJHKZHHY-LLVKDONJSA-N 0 2 360.805 2.389 20 0 FEADLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000450970226 560280481 /nfs/dbraw/zinc/28/04/81/560280481.db2.gz MJZOUOYCUIMHDC-UHFFFAOYSA-N 0 2 350.444 2.432 20 0 FEADLN CCCc1csc(NS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)n1 ZINC000450986202 560281143 /nfs/dbraw/zinc/28/11/43/560281143.db2.gz NDZGNOUPSJNMOA-UHFFFAOYSA-N 0 2 374.509 2.441 20 0 FEADLN CCOC(=O)Cc1nnc(NS(=O)(=O)CCC2CCCCC2)s1 ZINC000450985185 560281162 /nfs/dbraw/zinc/28/11/62/560281162.db2.gz CJKXAKLDQBSNAF-UHFFFAOYSA-N 0 2 361.489 2.356 20 0 FEADLN CO[C@@H](CS(=O)(=O)Nc1ccc(OC(C)C)nn1)c1ccccc1 ZINC000451008407 560282013 /nfs/dbraw/zinc/28/20/13/560282013.db2.gz FYSIUJHURTUNLO-AWEZNQCLSA-N 0 2 351.428 2.393 20 0 FEADLN COC(=O)c1ncccc1S(=O)(=O)Nc1cnn(CCC(C)C)c1C ZINC000451023222 560282815 /nfs/dbraw/zinc/28/28/15/560282815.db2.gz JYTZXDTZFYZSAZ-UHFFFAOYSA-N 0 2 366.443 2.220 20 0 FEADLN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cnn(C)c2C)c1 ZINC000451021479 560282933 /nfs/dbraw/zinc/28/29/33/560282933.db2.gz AGGBCGRTKMUOKC-UHFFFAOYSA-N 0 2 357.819 2.278 20 0 FEADLN COC[C@H](C)n1ccc(NS(=O)(=O)C[C@H](OC)c2ccccc2)n1 ZINC000451032273 560283822 /nfs/dbraw/zinc/28/38/22/560283822.db2.gz OZZSJXCBWQCAEL-ZFWWWQNUSA-N 0 2 353.444 2.220 20 0 FEADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cn(CC)nc2C(N)=O)c1 ZINC000451036451 560283898 /nfs/dbraw/zinc/28/38/98/560283898.db2.gz KVAUPMPHOSWBIF-UHFFFAOYSA-N 0 2 370.862 2.409 20 0 FEADLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccccc2OC)n1 ZINC000451039227 560284054 /nfs/dbraw/zinc/28/40/54/560284054.db2.gz OXKZKDFJMJMSQB-UHFFFAOYSA-N 0 2 370.452 2.403 20 0 FEADLN CCn1nc(C)c(S(=O)(=O)Nc2ncn(-c3ccc(F)cc3)n2)c1C ZINC000451094040 560286624 /nfs/dbraw/zinc/28/66/24/560286624.db2.gz PCSIKFHVDYLSPY-UHFFFAOYSA-N 0 2 364.406 2.040 20 0 FEADLN COCCN(C(=O)c1cc(Br)c(F)cc1O)[C@H]1CCOC1 ZINC000451496083 560310399 /nfs/dbraw/zinc/31/03/99/560310399.db2.gz LTYURDYJRXPPFN-VIFPVBQESA-N 0 2 362.195 2.171 20 0 FEADLN CCc1nnc(CNC(=O)c2cc(Br)cc(Cl)c2O)[nH]1 ZINC000452182307 560354844 /nfs/dbraw/zinc/35/48/44/560354844.db2.gz OZBNJUYOPWHCMR-UHFFFAOYSA-N 0 2 359.611 2.419 20 0 FEADLN Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)C(=O)N=c1nc2n([nH]1)CCCC2 ZINC000453656297 560393969 /nfs/dbraw/zinc/39/39/69/560393969.db2.gz YOZOQSWASPCAGH-QGZVFWFLSA-N 0 2 369.469 2.717 20 0 FEADLN Cc1cccc([C@@H](NC(=O)C(=O)N=c2nc3n([nH]2)CCCC3)C(C)(C)C)c1 ZINC000453666570 560394894 /nfs/dbraw/zinc/39/48/94/560394894.db2.gz IVUVLOQMNLBFKE-MRXNPFEDSA-N 0 2 369.469 2.765 20 0 FEADLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)N=c2ncn(C(C)(C)C)[nH]2)C1 ZINC000455125598 560471076 /nfs/dbraw/zinc/47/10/76/560471076.db2.gz BPHLUTQWTIJZQV-KRWDZBQOSA-N 0 2 351.451 2.619 20 0 FEADLN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@](O)(C(F)F)C2)s[nH]1 ZINC000455164806 560472360 /nfs/dbraw/zinc/47/23/60/560472360.db2.gz UZIGDUYKJOMSJE-CYBMUJFWSA-N 0 2 360.411 2.231 20 0 FEADLN Cc1nc(=NC(=O)NCC(C)(C)c2ccccc2Br)[nH]n1C ZINC000455507665 560485101 /nfs/dbraw/zinc/48/51/01/560485101.db2.gz DFEDSZRRUNIHMS-UHFFFAOYSA-N 0 2 366.263 2.985 20 0 FEADLN Cc1nc(=NC(=O)N(C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)[nH]n1C ZINC000455556536 560487042 /nfs/dbraw/zinc/48/70/42/560487042.db2.gz YGYZWXWNGIHHMY-NWDGAFQWSA-N 0 2 365.865 2.623 20 0 FEADLN CCCOc1ccc(CNC(=O)N=c2nc3n([nH]2)CCCC3)cc1OC ZINC000455983190 560503199 /nfs/dbraw/zinc/50/31/99/560503199.db2.gz NHOXXEZDOVXSHB-UHFFFAOYSA-N 0 2 359.430 2.734 20 0 FEADLN O=C(N=c1nc2n([nH]1)CCCC2)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000456007298 560504173 /nfs/dbraw/zinc/50/41/73/560504173.db2.gz IJHHBQVWNDCBBJ-QGZVFWFLSA-N 0 2 369.469 2.870 20 0 FEADLN CCO[C@H]1CCN(C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C[C@@H]1C ZINC000456137410 560508407 /nfs/dbraw/zinc/50/84/07/560508407.db2.gz ITRXHVSRVAFTTJ-GUYCJALGSA-N 0 2 359.426 2.474 20 0 FEADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]([C@H](CO)C3CC3)C3CC3)=N2)cc1 ZINC000456147358 560508706 /nfs/dbraw/zinc/50/87/06/560508706.db2.gz LRSFRXZNTIEFSV-SJLPKXTDSA-N 0 2 371.437 2.113 20 0 FEADLN COc1ccc(N2CC(=O)C(C(=O)NCc3cnc(C4CC4)o3)=N2)cc1 ZINC000456764358 560532265 /nfs/dbraw/zinc/53/22/65/560532265.db2.gz QHILXFLKNNCBQR-UHFFFAOYSA-N 0 2 354.366 2.382 20 0 FEADLN CC[C@](COC)(NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)OC ZINC000457285380 560560478 /nfs/dbraw/zinc/56/04/78/560560478.db2.gz NRBBEXRIVFQFPJ-CQSZACIVSA-N 0 2 350.198 2.397 20 0 FEADLN Cn1c[nH+]c(CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000457525187 560572334 /nfs/dbraw/zinc/57/23/34/560572334.db2.gz AQONMHDJARVAOV-UHFFFAOYSA-N 0 2 355.486 2.448 20 0 FEADLN CC(C)O[C@H]1C[C@@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000458662930 560639220 /nfs/dbraw/zinc/63/92/20/560639220.db2.gz HHPLVQYHTSFUDH-OTVXOJSOSA-N 0 2 359.430 2.139 20 0 FEADLN Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCN3C(=O)N[C@@H](C)C3=O)n2)c1 ZINC000459372810 560683123 /nfs/dbraw/zinc/68/31/23/560683123.db2.gz HQZRWIYFMZCBIZ-YOEHRIQHSA-N 0 2 367.453 2.462 20 0 FEADLN CCc1ncc(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)s1 ZINC000460784452 560751931 /nfs/dbraw/zinc/75/19/31/560751931.db2.gz OQKDEEMNPCZTSH-UHFFFAOYSA-N 0 2 360.482 2.051 20 0 FEADLN CO[C@@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc(Cl)cc1 ZINC000461035145 560759921 /nfs/dbraw/zinc/75/99/21/560759921.db2.gz YZHFFDMJCAKUBE-ZDUSSCGKSA-N 0 2 374.784 2.207 20 0 FEADLN CCCc1nsc(NCCN2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000461780392 560783022 /nfs/dbraw/zinc/78/30/22/560783022.db2.gz XUFSPYTVGNFEJZ-UHFFFAOYSA-N 0 2 362.499 2.400 20 0 FEADLN CCCc1nsc(NCCN2CCN(C(=O)C3CCCCC3)CC2)n1 ZINC000461967796 560790160 /nfs/dbraw/zinc/79/01/60/560790160.db2.gz GFRPFYGEJAVZGM-UHFFFAOYSA-N 0 2 365.547 2.049 20 0 FEADLN CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000461991382 560791143 /nfs/dbraw/zinc/79/11/43/560791143.db2.gz CWQUVKUCILRKKK-UHFFFAOYSA-N 0 2 367.365 2.264 20 0 FEADLN COC(=O)c1cc(C)ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000462014743 560792647 /nfs/dbraw/zinc/79/26/47/560792647.db2.gz NBCIHWCQLLSJPO-UHFFFAOYSA-N 0 2 368.349 2.092 20 0 FEADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccsc2)c1 ZINC000462100632 560797156 /nfs/dbraw/zinc/79/71/56/560797156.db2.gz GMGKOGTZURHUNM-UHFFFAOYSA-N 0 2 355.393 2.122 20 0 FEADLN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000462177513 560800199 /nfs/dbraw/zinc/80/01/99/560800199.db2.gz FYGQESOAIPGODL-CQSZACIVSA-N 0 2 352.822 2.316 20 0 FEADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000463788886 560824349 /nfs/dbraw/zinc/82/43/49/560824349.db2.gz SXJKDAQWKDUHNC-UHFFFAOYSA-N 0 2 360.342 2.046 20 0 FEADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1 ZINC000463794860 560824648 /nfs/dbraw/zinc/82/46/48/560824648.db2.gz UMXLMIUXMJNIIG-UHFFFAOYSA-N 0 2 356.354 2.206 20 0 FEADLN O=C(N=c1cccn[nH]1)c1c(Cl)cccc1I ZINC000464418729 560841326 /nfs/dbraw/zinc/84/13/26/560841326.db2.gz BNGKAYYDFYCITK-UHFFFAOYSA-N 0 2 359.554 2.987 20 0 FEADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccnc2NC(C)=O)cc1 ZINC000466960088 560900547 /nfs/dbraw/zinc/90/05/47/560900547.db2.gz RAOFBXIPFZMTKY-UHFFFAOYSA-N 0 2 363.395 2.018 20 0 FEADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NC1(CO)Cc2ccccc2C1 ZINC000467238480 560907053 /nfs/dbraw/zinc/90/70/53/560907053.db2.gz NRNJSTOJFAACME-UHFFFAOYSA-N 0 2 366.446 2.278 20 0 FEADLN Cc1cc(=NC(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)[nH]nc1C ZINC000467474473 560910756 /nfs/dbraw/zinc/91/07/56/560910756.db2.gz UWLJMVLWRYANOU-UHFFFAOYSA-N 0 2 359.474 2.596 20 0 FEADLN Cc1cc(C(=O)Nc2nc3c(cccc3F)n2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000468357083 560927908 /nfs/dbraw/zinc/92/79/08/560927908.db2.gz IRTHUUYYEJEAIP-UHFFFAOYSA-N 0 2 368.328 2.023 20 0 FEADLN CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)c1ccc(OC)cc1 ZINC000468508326 560931820 /nfs/dbraw/zinc/93/18/20/560931820.db2.gz YSXVKIXISRMKFA-UHFFFAOYSA-N 0 2 354.366 2.420 20 0 FEADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC)nc1 ZINC000468523124 560932104 /nfs/dbraw/zinc/93/21/04/560932104.db2.gz OBCGCMOSFLEDBG-UHFFFAOYSA-N 0 2 356.375 2.055 20 0 FEADLN 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CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)NCCC(=O)[O-] ZINC000827180438 601178700 /nfs/dbraw/zinc/17/87/00/601178700.db2.gz QVTHIWCQAMOJNN-INIZCTEOSA-N 0 2 358.442 2.345 20 0 FEADLN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)NCCC(=O)[O-] ZINC000827180438 601178701 /nfs/dbraw/zinc/17/87/01/601178701.db2.gz QVTHIWCQAMOJNN-INIZCTEOSA-N 0 2 358.442 2.345 20 0 FEADLN CCOc1ccc(C[NH+]2CCN(C(=O)c3ccnc(C(=O)[O-])c3)CC2)cc1 ZINC000830075097 601243119 /nfs/dbraw/zinc/24/31/19/601243119.db2.gz IEMUMHLXDKPFAL-UHFFFAOYSA-N 0 2 369.421 2.137 20 0 FEADLN COC(=O)c1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1C(=O)[O-] ZINC000831282074 601338910 /nfs/dbraw/zinc/33/89/10/601338910.db2.gz VAHVGOQTRKCKHT-UHFFFAOYSA-N 0 2 372.381 2.306 20 0 FEADLN COC(=O)c1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1C(=O)[O-] ZINC000831282074 601338911 /nfs/dbraw/zinc/33/89/11/601338911.db2.gz VAHVGOQTRKCKHT-UHFFFAOYSA-N 0 2 372.381 2.306 20 0 FEADLN COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000831462127 601349327 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COC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CCC(=O)[O-])CC1)[nH]c2=O ZINC000831444543 601844006 /nfs/dbraw/zinc/84/40/06/601844006.db2.gz GLMOJVNRDKYDOJ-UHFFFAOYSA-N 0 2 373.409 2.199 20 0 FEADLN CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827065870 601902032 /nfs/dbraw/zinc/90/20/32/601902032.db2.gz DZYGAWJYXKBFLO-CQSZACIVSA-N 0 2 367.389 2.375 20 0 FEADLN CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000827065870 601902033 /nfs/dbraw/zinc/90/20/33/601902033.db2.gz DZYGAWJYXKBFLO-CQSZACIVSA-N 0 2 367.389 2.375 20 0 FEADLN CCOc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])[nH+]c2C)cc1OC ZINC000830064945 601902747 /nfs/dbraw/zinc/90/27/47/601902747.db2.gz YVOCEOJQPZRABG-LLVKDONJSA-N 0 2 361.398 2.174 20 0 FEADLN O=C([O-])N1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000740445910 602017045 /nfs/dbraw/zinc/01/70/45/602017045.db2.gz YTSFTBKCGDXAHT-OAHLLOKOSA-N 0 2 357.414 2.062 20 0 FEADLN CC(C)S(=O)(=O)CCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000828493478 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XVWNHEQVJMWQRC-AWEZNQCLSA-N 0 2 356.426 2.440 20 0 FEADLN Cc1cc(NC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])no1 ZINC000740087171 602493552 /nfs/dbraw/zinc/49/35/52/602493552.db2.gz RYIQUPSAGQRBOU-HNNXBMFYSA-N 0 2 369.381 2.045 20 0 FEADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)n2)C1 ZINC000739110890 602572529 /nfs/dbraw/zinc/57/25/29/602572529.db2.gz PASLGQNAOJUUBY-NWDGAFQWSA-N 0 2 367.475 2.249 20 0 FEADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)n2)C1 ZINC000739110890 602572532 /nfs/dbraw/zinc/57/25/32/602572532.db2.gz PASLGQNAOJUUBY-NWDGAFQWSA-N 0 2 367.475 2.249 20 0 FEADLN CN(C[C@@H]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1)C(=O)[O-] ZINC000739649713 602623838 /nfs/dbraw/zinc/62/38/38/602623838.db2.gz MGYIQANZDXBMPI-AWEZNQCLSA-N 0 2 357.414 2.014 20 0 FEADLN C[C@H](CCNC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000738901703 602627393 /nfs/dbraw/zinc/62/73/93/602627393.db2.gz WOWRLIRYOJVUHG-MRXNPFEDSA-N 0 2 362.474 2.117 20 0 FEADLN C[C@@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[C@@H]1NC(=O)[O-] ZINC000739145224 602816603 /nfs/dbraw/zinc/81/66/03/602816603.db2.gz ZEKKMICBCDNTMN-PBHICJAKSA-N 0 2 371.441 2.119 20 0 FEADLN C[C@@H](CCc1ccccc1F)C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000824816744 602857170 /nfs/dbraw/zinc/85/71/70/602857170.db2.gz LWQOBPQZZCGUDZ-HNNXBMFYSA-N 0 2 365.449 2.148 20 0 FEADLN C[C@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@H](C)N1C(=O)[O-] ZINC000739135156 602886363 /nfs/dbraw/zinc/88/63/63/602886363.db2.gz BMDNGLZUKCIXLM-GJZGRUSLSA-N 0 2 371.441 2.214 20 0 FEADLN O=C([O-])N1CCCC[C@@H](NC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000740450844 602887155 /nfs/dbraw/zinc/88/71/55/602887155.db2.gz TVOWDFXFSNWALG-QGZVFWFLSA-N 0 2 371.441 2.263 20 0 FEADLN COc1ccccc1[C@H](NC(=O)[O-])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000739962259 602902950 /nfs/dbraw/zinc/90/29/50/602902950.db2.gz GDTHPKWKCFWTFA-WFASDCNBSA-N 0 2 358.398 2.133 20 0 FEADLN Cn1cc[nH+]c1C[C@H](NC(=O)CN(CC1CC1)C(=O)[O-])c1ccccc1 ZINC000831036521 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FEADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](CC(=O)c1cccn1C)CC2 ZINC000737905483 600620693 /nfs/dbraw/zinc/62/06/93/600620693.db2.gz JVXXZRFUDMTONA-INIZCTEOSA-N 0 2 372.421 2.299 20 0 FEADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](CC(=O)c1cccn1C)CC2 ZINC000737905483 600620695 /nfs/dbraw/zinc/62/06/95/600620695.db2.gz JVXXZRFUDMTONA-INIZCTEOSA-N 0 2 372.421 2.299 20 0 FEADLN COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000832265810 600807235 /nfs/dbraw/zinc/80/72/35/600807235.db2.gz SENWDHMPUKABLU-UHFFFAOYSA-N 0 2 357.366 2.187 20 0 FEADLN NC(=[NH+]OCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(C(=O)[O-])c1 ZINC000833078363 600807596 /nfs/dbraw/zinc/80/75/96/600807596.db2.gz HWRSMEILEBOYPB-QGZVFWFLSA-N 0 2 367.405 2.425 20 0 FEADLN NC(=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CC1)c1cccc(C(=O)[O-])c1 ZINC000833078697 600807665 /nfs/dbraw/zinc/80/76/65/600807665.db2.gz OJAXVSSCOYTPNA-SFHVURJKSA-N 0 2 367.405 2.499 20 0 FEADLN Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1ccccc1 ZINC000833059007 600932170 /nfs/dbraw/zinc/93/21/70/600932170.db2.gz UAIDLEHTEQZLGS-MRXNPFEDSA-N 0 2 350.378 2.227 20 0 FEADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(NC(C)=O)c2)C(=O)[O-])cc1 ZINC000832253387 601005014 /nfs/dbraw/zinc/00/50/14/601005014.db2.gz XVHRBCNPEOHPMC-GOSISDBHSA-N 0 2 371.393 2.008 20 0 FEADLN COc1cc(C(=O)[O-])cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1OC ZINC000831896968 601080104 /nfs/dbraw/zinc/08/01/04/601080104.db2.gz IJQUNGDQEYKSHZ-CYBMUJFWSA-N 0 2 374.397 2.468 20 0 FEADLN C[C@@H](C[N@@H+](Cc1ccccc1)CN1c2ccccc2C(=O)C1=O)C(=O)[O-] ZINC000736584167 601089952 /nfs/dbraw/zinc/08/99/52/601089952.db2.gz QAYHCQABIJICBX-AWEZNQCLSA-N 0 2 352.390 2.396 20 0 FEADLN C[C@@H](C[N@H+](Cc1ccccc1)CN1c2ccccc2C(=O)C1=O)C(=O)[O-] ZINC000736584167 601089955 /nfs/dbraw/zinc/08/99/55/601089955.db2.gz QAYHCQABIJICBX-AWEZNQCLSA-N 0 2 352.390 2.396 20 0 FEADLN O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)o1 ZINC000740173294 601118906 /nfs/dbraw/zinc/11/89/06/601118906.db2.gz MSVNOYJCPDHGPR-ZDUSSCGKSA-N 0 2 373.390 2.167 20 0 FEADLN O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000739568547 601126115 /nfs/dbraw/zinc/12/61/15/601126115.db2.gz MHTCYAVYSUXKRF-JKSUJKDBSA-N 0 2 360.454 2.026 20 0 FEADLN Cc1cccn2cc(CCNC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)[nH+]c12 ZINC000832981643 601151810 /nfs/dbraw/zinc/15/18/10/601151810.db2.gz GPJMKBXHMRBRHZ-OAHLLOKOSA-N 0 2 356.426 2.082 20 0 FEADLN O=C([O-])c1cc(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)ccn1 ZINC000833160438 601244988 /nfs/dbraw/zinc/24/49/88/601244988.db2.gz GBPIWTOGYNQJMD-UHFFFAOYSA-N 0 2 352.350 2.308 20 0 FEADLN COC(=O)c1cc(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc(C(=O)[O-])c1 ZINC000831282232 601267276 /nfs/dbraw/zinc/26/72/76/601267276.db2.gz XDWNDVXCGTWFFT-UHFFFAOYSA-N 0 2 372.381 2.306 20 0 FEADLN COC(=O)c1cc(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc(C(=O)[O-])c1 ZINC000831282232 601267278 /nfs/dbraw/zinc/26/72/78/601267278.db2.gz XDWNDVXCGTWFFT-UHFFFAOYSA-N 0 2 372.381 2.306 20 0 FEADLN CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000830706420 601432826 /nfs/dbraw/zinc/43/28/26/601432826.db2.gz KHVYBWSQYWWYJF-CHWSQXEVSA-N 0 2 350.381 2.363 20 0 FEADLN CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000830706420 601432827 /nfs/dbraw/zinc/43/28/27/601432827.db2.gz KHVYBWSQYWWYJF-CHWSQXEVSA-N 0 2 350.381 2.363 20 0 FEADLN CNC(=O)Cc1nc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000830996681 601539410 /nfs/dbraw/zinc/53/94/10/601539410.db2.gz GZTHAQFWVNJBLP-DZGCQCFKSA-N 0 2 365.499 2.287 20 0 FEADLN CNC(=O)Cc1nc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cs1 ZINC000830996681 601539411 /nfs/dbraw/zinc/53/94/11/601539411.db2.gz GZTHAQFWVNJBLP-DZGCQCFKSA-N 0 2 365.499 2.287 20 0 FEADLN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830064766 601555838 /nfs/dbraw/zinc/55/58/38/601555838.db2.gz VYULXPGTCNFLMJ-LPHOPBHVSA-N 0 2 364.417 2.247 20 0 FEADLN CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830064766 601555840 /nfs/dbraw/zinc/55/58/40/601555840.db2.gz VYULXPGTCNFLMJ-LPHOPBHVSA-N 0 2 364.417 2.247 20 0 FEADLN O=C([O-])/C=C1\SCC(=O)N1CCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833195266 601611586 /nfs/dbraw/zinc/61/15/86/601611586.db2.gz DSVCVXIXHNIDNN-PXNMLYILSA-N 0 2 368.405 2.214 20 0 FEADLN O=C([O-])/C=C1\SCC(=O)N1CCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833195266 601611588 /nfs/dbraw/zinc/61/15/88/601611588.db2.gz DSVCVXIXHNIDNN-PXNMLYILSA-N 0 2 368.405 2.214 20 0 FEADLN CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C(=O)[O-])c(F)c3)CC2)n1 ZINC000830344706 601630364 /nfs/dbraw/zinc/63/03/64/601630364.db2.gz XHMQDPUOMNUSAP-GFCCVEGCSA-N 0 2 362.405 2.348 20 0 FEADLN Cc1[nH+]c(C(=O)[O-])cn1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000832995930 601639088 /nfs/dbraw/zinc/63/90/88/601639088.db2.gz LEZAMCGCNPUCAE-UHFFFAOYSA-N 0 2 353.132 2.344 20 0 FEADLN Cc1cc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc(C)c1OCC(=O)[O-] ZINC000832860745 601683577 /nfs/dbraw/zinc/68/35/77/601683577.db2.gz NDUMZWXRMYVANB-UHFFFAOYSA-N 0 2 356.378 2.065 20 0 FEADLN Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C2 ZINC000833006552 601840716 /nfs/dbraw/zinc/84/07/16/601840716.db2.gz CTJFXSOXXWNTJT-UHFFFAOYSA-N 0 2 369.830 2.056 20 0 FEADLN CN(C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1nc2ccccc2s1 ZINC000830485655 601890376 /nfs/dbraw/zinc/89/03/76/601890376.db2.gz LKCYZJCRTUCCOU-NSHDSACASA-N 0 2 365.480 2.151 20 0 FEADLN CN(C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1nc2ccccc2s1 ZINC000830485655 601890377 /nfs/dbraw/zinc/89/03/77/601890377.db2.gz LKCYZJCRTUCCOU-NSHDSACASA-N 0 2 365.480 2.151 20 0 FEADLN CN1CC[NH+](Cc2cccc(NC(=O)C3CCC(NC(=O)[O-])CC3)c2)CC1 ZINC000739735866 601904888 /nfs/dbraw/zinc/90/48/88/601904888.db2.gz FVYUTWRSHINXDF-UHFFFAOYSA-N 0 2 374.485 2.199 20 0 FEADLN Cc1ccc(NS(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)c2n[nH]cc21 ZINC000826304146 607536957 /nfs/dbraw/zinc/53/69/57/607536957.db2.gz YJJXLFCJXNRVGV-UHFFFAOYSA-N 0 2 369.410 2.161 20 0 FEADLN C[C@@H](c1cccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000827942425 601994388 /nfs/dbraw/zinc/99/43/88/601994388.db2.gz RZMTVHQJKXFERM-IFXJQAMLSA-N 0 2 361.442 2.408 20 0 FEADLN CCCCS(=O)(=O)Cc1noc([C@@H](NC(=O)C(F)(F)F)C(C)C)n1 ZINC000809483232 674494999 /nfs/dbraw/zinc/49/49/99/674494999.db2.gz QWPASKNMYCADRE-JTQLQIEISA-N 0 2 371.381 2.160 20 0 FEADLN O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000740428861 602130219 /nfs/dbraw/zinc/13/02/19/602130219.db2.gz NCCNNVBSBHEWJC-HOTGVXAUSA-N 0 2 363.462 2.227 20 0 FEADLN CCC[C@](C)(NC(=O)[O-])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000739292787 602138172 /nfs/dbraw/zinc/13/81/72/602138172.db2.gz AUHIXZQYTJZTHM-IBGZPJMESA-N 0 2 362.474 2.199 20 0 FEADLN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000739583151 602143035 /nfs/dbraw/zinc/14/30/35/602143035.db2.gz HPOACKBUNFIXSO-MRXNPFEDSA-N 0 2 357.414 2.156 20 0 FEADLN CN(CC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000739622655 602162331 /nfs/dbraw/zinc/16/23/31/602162331.db2.gz FFUCDMRPNJJNBV-ZDUSSCGKSA-N 0 2 357.813 2.342 20 0 FEADLN COc1cc(OC)cc([C@H]([NH2+]CC(=O)N(C)Cc2ccccc2)C(=O)[O-])c1 ZINC000832051644 602168147 /nfs/dbraw/zinc/16/81/47/602168147.db2.gz WQNLRMQVAFWYQU-IBGZPJMESA-N 0 2 372.421 2.078 20 0 FEADLN COc1cc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)ccc1NC(=O)[O-] ZINC000739873067 602285300 /nfs/dbraw/zinc/28/53/00/602285300.db2.gz YGOFQTODOROPGQ-UHFFFAOYSA-N 0 2 366.418 2.017 20 0 FEADLN COc1cc(NC(=O)NCC[N@H+]2CCOCC2(C)C)ccc1NC(=O)[O-] ZINC000739873067 602285304 /nfs/dbraw/zinc/28/53/04/602285304.db2.gz YGOFQTODOROPGQ-UHFFFAOYSA-N 0 2 366.418 2.017 20 0 FEADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000832919172 602321464 /nfs/dbraw/zinc/32/14/64/602321464.db2.gz WZTYOYSOAVQCNG-DOMZBBRYSA-N 0 2 363.439 2.162 20 0 FEADLN Cc1cccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1C(=O)[O-] ZINC000832974761 602321716 /nfs/dbraw/zinc/32/17/16/602321716.db2.gz LZRQYBPZELEHSR-GXTWGEPZSA-N 0 2 363.439 2.162 20 0 FEADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@@H](NC(=O)[O-])C(C)C)CC2)c1 ZINC000738092696 602362707 /nfs/dbraw/zinc/36/27/07/602362707.db2.gz SDHZELCRXYUFAH-PBHICJAKSA-N 0 2 363.458 2.193 20 0 FEADLN CCC[C@@H](NC(=O)[O-])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000739315945 602362720 /nfs/dbraw/zinc/36/27/20/602362720.db2.gz SQAAVQWJSBNJAR-RHSMWYFYSA-N 0 2 363.458 2.337 20 0 FEADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCNC(=O)[O-])C[C@H](C)O1 ZINC000739187105 602410749 /nfs/dbraw/zinc/41/07/49/602410749.db2.gz HIQNCVHWYWMOKX-KBPBESRZSA-N 0 2 364.446 2.075 20 0 FEADLN CC(C)N(CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(=O)[O-] ZINC000738847592 602415849 /nfs/dbraw/zinc/41/58/49/602415849.db2.gz DOGNRYIBIRSRTD-UHFFFAOYSA-N 0 2 363.462 2.128 20 0 FEADLN C[C@H](NC(=O)[O-])C1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000739027440 602445648 /nfs/dbraw/zinc/44/56/48/602445648.db2.gz OFNGTFYZPGCUND-QWRGUYRKSA-N 0 2 354.838 2.430 20 0 FEADLN 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562276647 /nfs/dbraw/zinc/27/66/47/562276647.db2.gz OBTSCHUJRQUDIW-UHFFFAOYSA-N 0 2 359.402 2.420 20 0 FEADLN Cc1ccc(OCCC(=O)N=c2ccc(-c3ccnn3C)n[nH]2)c(C)c1 ZINC000415991496 559287412 /nfs/dbraw/zinc/28/74/12/559287412.db2.gz PLFISXGCSIDZFH-UHFFFAOYSA-N 0 2 351.410 2.902 20 0 FEADLN Cn1nccc1-c1ccc(=NC(=O)C2(Cc3ccccc3F)CC2)[nH]n1 ZINC000415991167 559287416 /nfs/dbraw/zinc/28/74/16/559287416.db2.gz OSIHNJOCXXGLTP-UHFFFAOYSA-N 0 2 351.385 2.978 20 0 FEADLN Cn1nccc1-c1ccc(=NC(=O)c2ccc(N3CCCC3)c(F)c2)[nH]n1 ZINC000415992958 559287795 /nfs/dbraw/zinc/28/77/95/559287795.db2.gz RSHXDHIUDKYTDU-UHFFFAOYSA-N 0 2 366.400 2.869 20 0 FEADLN C[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2O)[C@H](C(N)=O)C1 ZINC000416206652 559298345 /nfs/dbraw/zinc/29/83/45/559298345.db2.gz BBWXRFQDFBIQOH-HQJQHLMTSA-N 0 2 359.195 2.020 20 0 FEADLN COCC[C@@H](C)CNC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000416976188 559341493 /nfs/dbraw/zinc/34/14/93/559341493.db2.gz PWBWJGYHEDQRJR-LLVKDONJSA-N 0 2 350.444 2.430 20 0 FEADLN 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NMPWFIQBTNTLLX-BBRMVZONSA-N 0 2 371.441 2.378 20 0 FEADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)C2)o1 ZINC000832985839 604349249 /nfs/dbraw/zinc/34/92/49/604349249.db2.gz QBKLWCJMMKTCDO-CYBMUJFWSA-N 0 2 361.373 2.167 20 0 FEADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)C2)o1 ZINC000832985839 604349252 /nfs/dbraw/zinc/34/92/52/604349252.db2.gz QBKLWCJMMKTCDO-CYBMUJFWSA-N 0 2 361.373 2.167 20 0 FEADLN COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc3[nH+]ccn32)cc1OC ZINC000832236066 604431725 /nfs/dbraw/zinc/43/17/25/604431725.db2.gz VZOBXNSYTXNDDY-CYBMUJFWSA-N 0 2 369.377 2.297 20 0 FEADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000832985410 604500919 /nfs/dbraw/zinc/50/09/19/604500919.db2.gz FMHPDKDGIJCCSI-GFCCVEGCSA-N 0 2 364.427 2.481 20 0 FEADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000832985410 604500921 /nfs/dbraw/zinc/50/09/21/604500921.db2.gz FMHPDKDGIJCCSI-GFCCVEGCSA-N 0 2 364.427 2.481 20 0 FEADLN 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ZINC000833623706 604799633 /nfs/dbraw/zinc/79/96/33/604799633.db2.gz PMRVUJPWSIEAPL-ZOWXZIJZSA-N 0 2 350.415 2.163 20 0 FEADLN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000833544676 604900836 /nfs/dbraw/zinc/90/08/36/604900836.db2.gz IHQXMHAATURHFT-SKDRFNHKSA-N 0 2 353.831 2.356 20 0 FEADLN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000833544676 604900837 /nfs/dbraw/zinc/90/08/37/604900837.db2.gz IHQXMHAATURHFT-SKDRFNHKSA-N 0 2 353.831 2.356 20 0 FEADLN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833551680 604918901 /nfs/dbraw/zinc/91/89/01/604918901.db2.gz UKLQRKAHNMPAPU-DGCLKSJQSA-N 0 2 374.470 2.151 20 0 FEADLN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833551680 604918902 /nfs/dbraw/zinc/91/89/02/604918902.db2.gz UKLQRKAHNMPAPU-DGCLKSJQSA-N 0 2 374.470 2.151 20 0 FEADLN CN(C(=O)C[N@H+](C)[C@H]1CCCc2c1cnn2C)c1ccccc1C(=O)[O-] ZINC000833684962 604986837 /nfs/dbraw/zinc/98/68/37/604986837.db2.gz ZKOOGMPAKFWTQG-HNNXBMFYSA-N 0 2 356.426 2.091 20 0 FEADLN CN(C(=O)C[N@@H+](C)[C@H]1CCCc2c1cnn2C)c1ccccc1C(=O)[O-] ZINC000833684962 604986839 /nfs/dbraw/zinc/98/68/39/604986839.db2.gz ZKOOGMPAKFWTQG-HNNXBMFYSA-N 0 2 356.426 2.091 20 0 FEADLN COC(=O)c1cc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)cc(C(=O)[O-])c1 ZINC000833713137 604989677 /nfs/dbraw/zinc/98/96/77/604989677.db2.gz NXSKAYDHMAXDSV-GFCCVEGCSA-N 0 2 371.393 2.198 20 0 FEADLN COC(=O)c1cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)cc(C(=O)[O-])c1 ZINC000833713137 604989678 /nfs/dbraw/zinc/98/96/78/604989678.db2.gz NXSKAYDHMAXDSV-GFCCVEGCSA-N 0 2 371.393 2.198 20 0 FEADLN C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327092731 605001168 /nfs/dbraw/zinc/00/11/68/605001168.db2.gz JTQRHGIFQUKSSI-NWDGAFQWSA-N 0 2 372.874 2.286 20 0 FEADLN C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327092731 605001169 /nfs/dbraw/zinc/00/11/69/605001169.db2.gz JTQRHGIFQUKSSI-NWDGAFQWSA-N 0 2 372.874 2.286 20 0 FEADLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000833405336 605015348 /nfs/dbraw/zinc/01/53/48/605015348.db2.gz ZKXQGWDDLBSUCN-LBPRGKRZSA-N 0 2 373.478 2.407 20 0 FEADLN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000320714963 605073901 /nfs/dbraw/zinc/07/39/01/605073901.db2.gz UYVGTTVEGHKCPY-ZANVPECISA-N 0 2 353.831 2.356 20 0 FEADLN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000320714963 605073908 /nfs/dbraw/zinc/07/39/08/605073908.db2.gz UYVGTTVEGHKCPY-ZANVPECISA-N 0 2 353.831 2.356 20 0 FEADLN CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C[C@H]1C ZINC000833655617 605122575 /nfs/dbraw/zinc/12/25/75/605122575.db2.gz FKIJTHLZHAAXGF-MNOVXSKESA-N 0 2 360.863 2.141 20 0 FEADLN CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])C[C@H]1C ZINC000833655617 605122573 /nfs/dbraw/zinc/12/25/73/605122573.db2.gz FKIJTHLZHAAXGF-MNOVXSKESA-N 0 2 360.863 2.141 20 0 FEADLN CC(=O)N1CC[N@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C(C)(C)C1 ZINC000833390794 605202707 /nfs/dbraw/zinc/20/27/07/605202707.db2.gz JQAOFEMWCRQDAD-UHFFFAOYSA-N 0 2 354.834 2.360 20 0 FEADLN CC(=O)N1CC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C(C)(C)C1 ZINC000833390794 605202708 /nfs/dbraw/zinc/20/27/08/605202708.db2.gz JQAOFEMWCRQDAD-UHFFFAOYSA-N 0 2 354.834 2.360 20 0 FEADLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3[nH]c(-c4ccccn4)nc3=S)C[C@H]21 ZINC000834186157 605330017 /nfs/dbraw/zinc/33/00/17/605330017.db2.gz VJNRYNZCMOXPFD-JHJVBQTASA-N 0 2 374.470 2.328 20 0 FEADLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3[nH]c(-c4ccccn4)nc3=S)C[C@H]21 ZINC000834186157 605330024 /nfs/dbraw/zinc/33/00/24/605330024.db2.gz VJNRYNZCMOXPFD-JHJVBQTASA-N 0 2 374.470 2.328 20 0 FEADLN CC[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[C@@H]1NC(=O)[O-] ZINC000833848361 605345221 /nfs/dbraw/zinc/34/52/21/605345221.db2.gz BILAOBABBXIESD-RDJZCZTQSA-N 0 2 356.426 2.440 20 0 FEADLN O=C([O-])N[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000834182182 605378626 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369.765 2.166 20 0 FEADLN C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccc(-c2nn[nH]n2)cc1 ZINC000820360516 607049178 /nfs/dbraw/zinc/04/91/78/607049178.db2.gz ZVNMFIJTSKVBNY-HZMBPMFUSA-N 0 2 352.402 2.028 20 0 FEADLN CSc1cccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)c1C ZINC000826230611 608396455 /nfs/dbraw/zinc/39/64/55/608396455.db2.gz BIJJEJIJYGRWLT-UHFFFAOYSA-N 0 2 362.440 2.093 20 0 FEADLN CCc1nn(C[C@H]2CCc3ccccc32)c(=O)c(-c2nn[nH]n2)c1CC ZINC000825763168 609514206 /nfs/dbraw/zinc/51/42/06/609514206.db2.gz QVVNAOYCSISZGD-CYBMUJFWSA-N 0 2 350.426 2.278 20 0 FEADLN O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492455 609523041 /nfs/dbraw/zinc/52/30/41/609523041.db2.gz LUKWIJYLNXZAOB-UHFFFAOYSA-N 0 2 370.316 2.081 20 0 FEADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1 ZINC000562503658 674763084 /nfs/dbraw/zinc/76/30/84/674763084.db2.gz AARUMUHOSAUSAM-CQSZACIVSA-N 0 2 363.439 2.318 20 0 FEADLN CCc1nc(C)c(COC(=O)c2ccc3c(c2)[nH]c(=S)n(C)c3=O)o1 ZINC000814069534 674814783 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CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)nc2)C1=O ZINC000072781425 670497718 /nfs/dbraw/zinc/49/77/18/670497718.db2.gz RVTLSRDLTRVXAR-QGZVFWFLSA-N 0 2 358.785 2.237 20 0 FEADLN COC(=O)c1cncc(S(=O)(=O)Nc2ccccc2OCC2CC2)c1 ZINC000569301535 670538715 /nfs/dbraw/zinc/53/87/15/670538715.db2.gz WNUZINLYJJCXTG-UHFFFAOYSA-N 0 2 362.407 2.458 20 0 FEADLN O=C([O-])Cn1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nn1 ZINC000569464389 670565063 /nfs/dbraw/zinc/56/50/63/670565063.db2.gz ZEYMNRRIYHKEDL-UHFFFAOYSA-N 0 2 357.439 2.352 20 0 FEADLN Cc1nc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c2ccccn12 ZINC000078075831 670581163 /nfs/dbraw/zinc/58/11/63/670581163.db2.gz RGTYQQGHWMYLJC-UHFFFAOYSA-N 0 2 353.407 2.213 20 0 FEADLN Cc1cccc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)n1 ZINC000078809667 670595814 /nfs/dbraw/zinc/59/58/14/670595814.db2.gz JAESXGOWFPTCPC-NSHDSACASA-N 0 2 355.423 2.261 20 0 FEADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 ZINC000569994069 670645461 /nfs/dbraw/zinc/64/54/61/670645461.db2.gz 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/nfs/dbraw/zinc/81/94/28/670819428.db2.gz DXYCJMYXVABJIR-UHFFFAOYSA-N 0 2 364.471 2.432 20 0 FEADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000108640117 670831616 /nfs/dbraw/zinc/83/16/16/670831616.db2.gz ZZBFFENFTUAEEJ-UHFFFAOYSA-N 0 2 363.439 2.480 20 0 FEADLN O=S(=O)(CCOCC(F)(F)F)Nc1ccn(Cc2ccccc2)n1 ZINC000571490250 670881102 /nfs/dbraw/zinc/88/11/02/670881102.db2.gz YEIUIMFBKLSCIN-UHFFFAOYSA-N 0 2 363.361 2.252 20 0 FEADLN COc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)ccc1Cl ZINC000571503882 670883096 /nfs/dbraw/zinc/88/30/96/670883096.db2.gz AADOMXQBUPRXAA-JTQLQIEISA-N 0 2 359.791 2.384 20 0 FEADLN COc1c(C)c[nH+]c(CN(C)C(=O)N=c2nc([C@@H](C)OC)[n-]s2)c1C ZINC000572649402 671028047 /nfs/dbraw/zinc/02/80/47/671028047.db2.gz MZWFOXVVFNHIKS-LLVKDONJSA-N 0 2 365.459 2.352 20 0 FEADLN CC(C)(C)N1CC[C@@H](NC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1=O ZINC000574569327 671255141 /nfs/dbraw/zinc/25/51/41/671255141.db2.gz OLWSENIAXMQGCV-SNVBAGLBSA-N 0 2 365.484 2.209 20 0 FEADLN 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350.425 2.410 20 0 FEADLN CNc1nc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cs1 ZINC000153351309 672197154 /nfs/dbraw/zinc/19/71/54/672197154.db2.gz IIWWAALYMBFQDZ-UHFFFAOYSA-N 0 2 356.860 2.392 20 0 FEADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(N(C)C(C)=O)c1 ZINC000157280566 672257281 /nfs/dbraw/zinc/25/72/81/672257281.db2.gz YYRVAXWHYRXQIC-UHFFFAOYSA-N 0 2 364.471 2.328 20 0 FEADLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000162387102 672304115 /nfs/dbraw/zinc/30/41/15/672304115.db2.gz HPSWNUBJBUKXDF-UHFFFAOYSA-N 0 2 358.416 2.042 20 0 FEADLN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000180121099 672409176 /nfs/dbraw/zinc/40/91/76/672409176.db2.gz IGDCGFFNFJFXDK-UHFFFAOYSA-N 0 2 369.786 2.456 20 0 FEADLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3nncn3c2)cc1[N+](=O)[O-] ZINC000181077004 672421523 /nfs/dbraw/zinc/42/15/23/672421523.db2.gz WREZOGMKGVBDPH-UHFFFAOYSA-N 0 2 367.774 2.400 20 0 FEADLN CCn1c(=O)c2ccc(C(=O)NCC[C@@H]3CCCCO3)cc2[nH]c1=S ZINC000181369955 672425969 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COc1cc(Cl)ccc1S(=O)(=O)Nc1cccc(C(N)=O)c1OC ZINC000679844709 672531979 /nfs/dbraw/zinc/53/19/79/672531979.db2.gz DVAAGGUMSVAVKQ-UHFFFAOYSA-N 0 2 370.814 2.257 20 0 FEADLN CC(C)c1nnc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)o1 ZINC000187041224 672560931 /nfs/dbraw/zinc/56/09/31/672560931.db2.gz WAYLSCDSPZZGCN-UHFFFAOYSA-N 0 2 372.834 2.349 20 0 FEADLN CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000680618048 672592322 /nfs/dbraw/zinc/59/23/22/672592322.db2.gz KZPPVMYOWIQEOR-JTQLQIEISA-N 0 2 353.227 2.062 20 0 FEADLN CCn1c(=O)c2ccc(C(=O)N(CC(C)(C)O)C3CC3)cc2[nH]c1=S ZINC000190120623 672630990 /nfs/dbraw/zinc/63/09/90/672630990.db2.gz SXZHBGDPJDDWHP-UHFFFAOYSA-N 0 2 361.467 2.081 20 0 FEADLN Cc1nn(C)c(Cl)c1CS(=O)(=O)c1n[nH]c(-c2ccccc2F)n1 ZINC000195126233 672776007 /nfs/dbraw/zinc/77/60/07/672776007.db2.gz RYNLUWYCSNLWIW-UHFFFAOYSA-N 0 2 369.809 2.280 20 0 FEADLN Cn1c(SCC(=O)NOCc2ccccc2)nc2ccccc2c1=O ZINC000198387373 672787869 /nfs/dbraw/zinc/78/78/69/672787869.db2.gz GYCQIPHJDAACCQ-UHFFFAOYSA-N 0 2 355.419 2.274 20 0 FEADLN COc1cc(C(F)(F)F)ncc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000682872044 672794603 /nfs/dbraw/zinc/79/46/03/672794603.db2.gz LNBDIBLKCPDBDV-UHFFFAOYSA-N 0 2 364.349 2.260 20 0 FEADLN O=S(=O)(Cc1nnc(C2CC2)o1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000683683584 672865839 /nfs/dbraw/zinc/86/58/39/672865839.db2.gz FOJIJPJIWLZHDD-UHFFFAOYSA-N 0 2 365.802 2.359 20 0 FEADLN O=S(=O)(Cc1ccccn1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000683685764 672866381 /nfs/dbraw/zinc/86/63/81/672866381.db2.gz FFWMHUQPHOBLNX-UHFFFAOYSA-N 0 2 364.814 2.406 20 0 FEADLN CCc1noc(CS(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)n1 ZINC000683684237 672866491 /nfs/dbraw/zinc/86/64/91/672866491.db2.gz ZTNXDHRATDBVIM-UHFFFAOYSA-N 0 2 353.791 2.044 20 0 FEADLN COc1cc(F)c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c(F)c1 ZINC000683716413 672868480 /nfs/dbraw/zinc/86/84/80/672868480.db2.gz GCGGWUYYWMQJQH-JTQLQIEISA-N 0 2 361.326 2.009 20 0 FEADLN CCOC(=O)c1cn(C)nc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000593276869 672901430 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C[C@H](c1cccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000630561629 600481992 /nfs/dbraw/zinc/48/19/92/600481992.db2.gz OQJMHZKNVQGSNZ-ZBFHGGJFSA-N 0 2 361.442 2.408 20 0 FEADLN Cc1cc(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)oc1C(=O)[O-] ZINC000738383665 600557791 /nfs/dbraw/zinc/55/77/91/600557791.db2.gz BWWOLDVZVIQNJQ-UHFFFAOYSA-N 0 2 362.430 2.285 20 0 FEADLN Cc1cccc(C[NH+]2CCN(C(=O)CS[C@H](C)CC(=O)[O-])CC2)c1 ZINC000738307112 600582337 /nfs/dbraw/zinc/58/23/37/600582337.db2.gz CSOHEQFTWTZUEP-OAHLLOKOSA-N 0 2 350.484 2.236 20 0 FEADLN Cc1cccc(C[NH+]2CCN(C(=O)CSC[C@@H](C)C(=O)[O-])CC2)c1 ZINC000738708996 600595904 /nfs/dbraw/zinc/59/59/04/600595904.db2.gz OJLAQPDSVLXDLB-OAHLLOKOSA-N 0 2 350.484 2.093 20 0 FEADLN CCC[N@H+](CC(=O)[O-])CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000544631311 600740417 /nfs/dbraw/zinc/74/04/17/600740417.db2.gz RMVBREUCDOGXSC-LJQANCHMSA-N 0 2 364.442 2.068 20 0 FEADLN CCC[N@@H+](CC(=O)[O-])CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000544631311 600740421 /nfs/dbraw/zinc/74/04/21/600740421.db2.gz RMVBREUCDOGXSC-LJQANCHMSA-N 0 2 364.442 2.068 20 0 FEADLN CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829160980 600787935 /nfs/dbraw/zinc/78/79/35/600787935.db2.gz LAQFLPWYINVTGA-NWDGAFQWSA-N 0 2 358.485 2.084 20 0 FEADLN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829160980 600787936 /nfs/dbraw/zinc/78/79/36/600787936.db2.gz LAQFLPWYINVTGA-NWDGAFQWSA-N 0 2 358.485 2.084 20 0 FEADLN Cc1nn(C)c(C)c1C[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833014990 600797928 /nfs/dbraw/zinc/79/79/28/600797928.db2.gz WUVPUKKWAIRXRB-CQSZACIVSA-N 0 2 362.455 2.034 20 0 FEADLN Cc1nn(C)c(C)c1C[N@@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833014990 600797929 /nfs/dbraw/zinc/79/79/29/600797929.db2.gz WUVPUKKWAIRXRB-CQSZACIVSA-N 0 2 362.455 2.034 20 0 FEADLN Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2cc[nH+]cc2)n1 ZINC000832899828 600988877 /nfs/dbraw/zinc/98/88/77/600988877.db2.gz RKLGAXLAIHUTFR-UHFFFAOYSA-N 0 2 372.406 2.383 20 0 FEADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000833220824 601020270 /nfs/dbraw/zinc/02/02/70/601020270.db2.gz AKNYTIULEGRCMV-LLVKDONJSA-N 0 2 360.382 2.119 20 0 FEADLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000833220824 601020273 /nfs/dbraw/zinc/02/02/73/601020273.db2.gz AKNYTIULEGRCMV-LLVKDONJSA-N 0 2 360.382 2.119 20 0 FEADLN O=C([O-])[C@H](CNC(=O)Nc1ccc2[nH+]ccn2c1)Cc1ccc(O)cc1 ZINC000833132930 601071556 /nfs/dbraw/zinc/07/15/56/601071556.db2.gz GWRRRIJWLHSQOS-ZDUSSCGKSA-N 0 2 354.366 2.105 20 0 FEADLN C/C(=C/C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1)C(=O)[O-] ZINC000825742309 601170151 /nfs/dbraw/zinc/17/01/51/601170151.db2.gz YJVCCHCARIUEDB-IJZIWBRISA-N 0 2 360.454 2.246 20 0 FEADLN O=C([O-])CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000663120584 601186468 /nfs/dbraw/zinc/18/64/68/601186468.db2.gz ZESYJDUDXOFGDW-QGZVFWFLSA-N 0 2 360.454 2.181 20 0 FEADLN O=C([O-])CC1(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCCCC1 ZINC000663120584 601186470 /nfs/dbraw/zinc/18/64/70/601186470.db2.gz ZESYJDUDXOFGDW-QGZVFWFLSA-N 0 2 360.454 2.181 20 0 FEADLN C[C@H](C(=O)Nc1cc(C(=O)[O-])n(C)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000826011474 601321823 /nfs/dbraw/zinc/32/18/23/601321823.db2.gz ADPWEYUQICLMBG-CYBMUJFWSA-N 0 2 374.416 2.012 20 0 FEADLN CN(C(=O)C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1nccs1 ZINC000830478029 601433911 /nfs/dbraw/zinc/43/39/11/601433911.db2.gz JVPXRSCHKBLDQW-KGLIPLIRSA-N 0 2 351.472 2.461 20 0 FEADLN CN(C(=O)C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])c1nccs1 ZINC000830478029 601433913 /nfs/dbraw/zinc/43/39/13/601433913.db2.gz JVPXRSCHKBLDQW-KGLIPLIRSA-N 0 2 351.472 2.461 20 0 FEADLN CC[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000829140333 601557863 /nfs/dbraw/zinc/55/78/63/601557863.db2.gz DFTBUCBNLUWSTJ-IAGOWNOFSA-N 0 2 361.442 2.045 20 0 FEADLN CC[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(=O)[O-])cc2)[C@H](CC)CN1C(C)=O ZINC000829140333 601557864 /nfs/dbraw/zinc/55/78/64/601557864.db2.gz DFTBUCBNLUWSTJ-IAGOWNOFSA-N 0 2 361.442 2.045 20 0 FEADLN O=C([O-])[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000158384444 601577405 /nfs/dbraw/zinc/57/74/05/601577405.db2.gz FXEPPWQMZFTXAF-GFCCVEGCSA-N 0 2 370.331 2.459 20 0 FEADLN O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000158384444 601577408 /nfs/dbraw/zinc/57/74/08/601577408.db2.gz FXEPPWQMZFTXAF-GFCCVEGCSA-N 0 2 370.331 2.459 20 0 FEADLN O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000833324071 601585434 /nfs/dbraw/zinc/58/54/34/601585434.db2.gz SQHCSSYQXCQAIT-LLVKDONJSA-N 0 2 369.830 2.330 20 0 FEADLN C[C@H]1C[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828463832 601814304 /nfs/dbraw/zinc/81/43/04/601814304.db2.gz RKLOLRKDMNDESZ-SMDDNHRTSA-N 0 2 359.455 2.421 20 0 FEADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828463832 601814305 /nfs/dbraw/zinc/81/43/05/601814305.db2.gz RKLOLRKDMNDESZ-SMDDNHRTSA-N 0 2 359.455 2.421 20 0 FEADLN O=C([O-])[C@@H]1CC12CC[NH+]([C@H]1CCN(c3c(F)cccc3F)C1=O)CC2 ZINC000833179167 601827116 /nfs/dbraw/zinc/82/71/16/601827116.db2.gz ZUAMTBAJCBQTHC-FZMZJTMJSA-N 0 2 350.365 2.257 20 0 FEADLN CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830651314 601843294 /nfs/dbraw/zinc/84/32/94/601843294.db2.gz PIOXFQPSAYBZMK-UHFFFAOYSA-N 0 2 369.830 2.324 20 0 FEADLN C[N@@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000830855552 601870755 /nfs/dbraw/zinc/87/07/55/601870755.db2.gz AJVOCVIZVZRFAO-UHFFFAOYSA-N 0 2 353.378 2.243 20 0 FEADLN C[N@H+](Cc1ccccc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000830855552 601870758 /nfs/dbraw/zinc/87/07/58/601870758.db2.gz AJVOCVIZVZRFAO-UHFFFAOYSA-N 0 2 353.378 2.243 20 0 FEADLN COc1ccccc1-c1nn(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c(=S)n1C ZINC000832582798 601887234 /nfs/dbraw/zinc/88/72/34/601887234.db2.gz JFRGCEUHKDJFIA-KRWDZBQOSA-N 0 2 362.455 2.381 20 0 FEADLN COc1ccccc1-c1nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(=S)n1C ZINC000832582798 601887238 /nfs/dbraw/zinc/88/72/38/601887238.db2.gz JFRGCEUHKDJFIA-KRWDZBQOSA-N 0 2 362.455 2.381 20 0 FEADLN O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nnnn1Cc1ccccc1 ZINC000740520237 601928086 /nfs/dbraw/zinc/92/80/86/601928086.db2.gz VXYQYXSRKTXXFJ-SJORKVTESA-N 0 2 370.457 2.218 20 0 FEADLN O=C([O-])N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nnnn1Cc1ccccc1 ZINC000740520237 601928088 /nfs/dbraw/zinc/92/80/88/601928088.db2.gz VXYQYXSRKTXXFJ-SJORKVTESA-N 0 2 370.457 2.218 20 0 FEADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000832842558 602052841 /nfs/dbraw/zinc/05/28/41/602052841.db2.gz DWTPRBFBYGYQEH-KGLIPLIRSA-N 0 2 357.410 2.449 20 0 FEADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccccn3)C2)c(C)c1C(=O)[O-] ZINC000832842558 602052846 /nfs/dbraw/zinc/05/28/46/602052846.db2.gz DWTPRBFBYGYQEH-KGLIPLIRSA-N 0 2 357.410 2.449 20 0 FEADLN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000739586583 602137172 /nfs/dbraw/zinc/13/71/72/602137172.db2.gz VZSGGGHIADNTSH-OAHLLOKOSA-N 0 2 357.414 2.156 20 0 FEADLN C[C@@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C(=O)[O-] ZINC000676209102 602243495 /nfs/dbraw/zinc/24/34/95/602243495.db2.gz YOHPMYVRBZWRGI-ZWNOBZJWSA-N 0 2 355.232 2.175 20 0 FEADLN CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739012040 602261512 /nfs/dbraw/zinc/26/15/12/602261512.db2.gz RTWWINDRAGWRQT-NWDGAFQWSA-N 0 2 353.385 2.296 20 0 FEADLN CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000739012040 602261513 /nfs/dbraw/zinc/26/15/13/602261513.db2.gz RTWWINDRAGWRQT-NWDGAFQWSA-N 0 2 353.385 2.296 20 0 FEADLN Cc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C(=O)[O-] ZINC000832974767 602321854 /nfs/dbraw/zinc/32/18/54/602321854.db2.gz LZRQYBPZELEHSR-TZMCWYRMSA-N 0 2 363.439 2.162 20 0 FEADLN O=C([O-])N[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000740690028 602346752 /nfs/dbraw/zinc/34/67/52/602346752.db2.gz RXXPHEBXZYBIMG-INIZCTEOSA-N 0 2 359.451 2.401 20 0 FEADLN CN(CC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)C(=O)[O-] ZINC000739657431 602368302 /nfs/dbraw/zinc/36/83/02/602368302.db2.gz NZRFKMQWZKQHTF-UHFFFAOYSA-N 0 2 356.426 2.393 20 0 FEADLN C[C@@H]1C(=O)N(C[NH+]2CCC(CN(C)C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000739070885 602372960 /nfs/dbraw/zinc/37/29/60/602372960.db2.gz JXSRUKVWLBRGSO-CQSZACIVSA-N 0 2 374.441 2.123 20 0 FEADLN O=C([O-])N1[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C[C@H]2CCCC[C@@H]21 ZINC000740447433 602382726 /nfs/dbraw/zinc/38/27/26/602382726.db2.gz RJXYUNHRCNHFET-KBMXLJTQSA-N 0 2 360.458 2.189 20 0 FEADLN C[C@H]1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000828276852 602385034 /nfs/dbraw/zinc/38/50/34/602385034.db2.gz GBNJZSPKYYHKHG-YOEHRIQHSA-N 0 2 356.426 2.417 20 0 FEADLN C[C@H]1CCN(C(=O)NCc2cccc(OCC(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828276865 602386046 /nfs/dbraw/zinc/38/60/46/602386046.db2.gz GBXGQADHFFTQKA-WMLDXEAASA-N 0 2 372.425 2.139 20 0 FEADLN 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