smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNC(=O)Cc2nc(C)c(C(=O)[O-])s2)cc1OC ZINC000008017166 539474984 /nfs/dbraw/zinc/47/49/84/539474984.db2.gz CDIXAXSOPZTJNN-UHFFFAOYSA-N -1 0 350.396 2.026 10 0 FEAERM CCc1ccc(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000003271878 204086816 /nfs/dbraw/zinc/08/68/16/204086816.db2.gz AHZZINRBYMQXPS-UHFFFAOYSA-N -1 0 351.362 2.296 10 0 FEAERM COc1cccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C2)c1 ZINC000008698772 204339154 /nfs/dbraw/zinc/33/91/54/204339154.db2.gz LRITUYCLHOAXCD-HNNXBMFYSA-N -1 0 350.415 2.201 10 0 FEAERM C[C@@H](c1ccc(F)cc1)n1c(=O)c2sccc2n(CCC(=O)[O-])c1=O ZINC000073661323 205032599 /nfs/dbraw/zinc/03/25/99/205032599.db2.gz BDEAGGDWJBQUHC-JTQLQIEISA-N -1 0 362.382 2.448 10 0 FEAERM Cc1ccc(-c2nc(-c3cccnc3)cc3nn(CC(=O)[O-])c(=O)n32)cc1 ZINC000073694977 205033543 /nfs/dbraw/zinc/03/35/43/205033543.db2.gz LAVPWOFSESAUBQ-UHFFFAOYSA-N -1 0 361.361 2.013 10 0 FEAERM Cn1cc(CCCNS(=O)(=O)c2sccc2Br)cn1 ZINC000102661868 543076806 /nfs/dbraw/zinc/07/68/06/543076806.db2.gz NFHVSEDKUHYRNS-UHFFFAOYSA-N -1 0 364.290 2.155 10 0 FEAERM CCCn1cc(CN2CCCN(C(=O)c3ccc(F)cc3[O-])CC2)cn1 ZINC000123710352 543778633 /nfs/dbraw/zinc/77/86/33/543778633.db2.gz WWJHDXCFVIAJPY-UHFFFAOYSA-N -1 0 360.433 2.486 10 0 FEAERM C[C@H]1C[C@H]1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-] ZINC000136886665 544380619 /nfs/dbraw/zinc/38/06/19/544380619.db2.gz WFNCEQQSBSHGQL-BLLLJJGKSA-N -1 0 360.435 2.009 10 0 FEAERM CCc1ccc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)cc1 ZINC000151526371 544552842 /nfs/dbraw/zinc/55/28/42/544552842.db2.gz UVTQGFNKCDRPAY-LLVKDONJSA-N -1 0 352.394 2.386 10 0 FEAERM CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)CC2 ZINC000185731890 327930034 /nfs/dbraw/zinc/93/00/34/327930034.db2.gz FYISKYPMZMMUFB-MRVPVSSYSA-N -1 0 354.332 2.269 10 0 FEAERM C[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000191123917 328250666 /nfs/dbraw/zinc/25/06/66/328250666.db2.gz FADXEGCCIZDISV-SDBXPKJASA-N -1 0 368.748 2.133 10 0 FEAERM O=C([O-])C1(CNC(=O)CCc2nc(-c3ccccn3)no2)CCCCC1 ZINC000191514599 328269389 /nfs/dbraw/zinc/26/93/89/328269389.db2.gz IUMGSSZQJAKEHK-UHFFFAOYSA-N -1 0 358.398 2.216 10 0 FEAERM CC[C@@H](C)[C@H](NC(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)[O-] ZINC000236996996 328500818 /nfs/dbraw/zinc/50/08/18/328500818.db2.gz BFXCWTHPMDUCPJ-KKOFPSKJSA-N -1 0 352.475 2.467 10 0 FEAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000237246441 328509843 /nfs/dbraw/zinc/50/98/43/328509843.db2.gz KPMMIEIAUGVKLJ-CABZTGNLSA-N -1 0 350.371 2.263 10 0 FEAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000237240028 328509610 /nfs/dbraw/zinc/50/96/10/328509610.db2.gz GGQODFZMHHPDAK-KBPBESRZSA-N -1 0 364.785 2.238 10 0 FEAERM Cc1cccc(I)c1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000237569751 328520389 /nfs/dbraw/zinc/52/03/89/328520389.db2.gz FUOKQPCGGUXBCS-SECBINFHSA-N -1 0 361.179 2.392 10 0 FEAERM COC(=O)[C@@H]1CCCCN1C(=O)c1nn(-c2ccc(F)cc2C)cc1[O-] ZINC000080473660 325132365 /nfs/dbraw/zinc/13/23/65/325132365.db2.gz HHZRHLPJJJXRGZ-AWEZNQCLSA-N -1 0 361.373 2.193 10 0 FEAERM Cc1nn(-c2ccc(C(=O)N3CCOC[C@@H]3C)cc2)c(C)c1CCC(=O)[O-] ZINC000237634282 328523099 /nfs/dbraw/zinc/52/30/99/328523099.db2.gz ZCULOHQTZWIYEL-ZDUSSCGKSA-N -1 0 371.437 2.367 10 0 FEAERM O=C([O-])C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000238203036 328542639 /nfs/dbraw/zinc/54/26/39/328542639.db2.gz PSTVCLVKAYWIIO-INIZCTEOSA-N -1 0 354.410 2.025 10 0 FEAERM COC(=O)c1ncsc1S(=O)(=O)[N-][C@@H]1CCCc2cc(F)ccc21 ZINC000161958417 327013393 /nfs/dbraw/zinc/01/33/93/327013393.db2.gz GLKVWWIQMTZJBT-GFCCVEGCSA-N -1 0 370.427 2.425 10 0 FEAERM CCc1oc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1C(=O)[O-] ZINC000261611339 328805362 /nfs/dbraw/zinc/80/53/62/328805362.db2.gz FUYCJWDLQSQTOT-UHFFFAOYSA-N -1 0 362.426 2.405 10 0 FEAERM Cc1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)ccc1F ZINC000262098227 328842056 /nfs/dbraw/zinc/84/20/56/328842056.db2.gz IFIDGKZNZFDHFK-NXEZZACHSA-N -1 0 355.309 2.018 10 0 FEAERM CC(C)(C)OCC[C@H](NC(=O)CCc1nc(C2CCCC2)no1)C(=O)[O-] ZINC000262108575 328842833 /nfs/dbraw/zinc/84/28/33/328842833.db2.gz FGEDAAQOYVXBCB-ZDUSSCGKSA-N -1 0 367.446 2.434 10 0 FEAERM COc1ccccc1OCCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262140482 328845386 /nfs/dbraw/zinc/84/53/86/328845386.db2.gz HDUKKJWHHFUSJC-GHMZBOCLSA-N -1 0 361.316 2.186 10 0 FEAERM CC(C)(C)OCC[C@@H](NC(=O)CCc1nc(-c2ccco2)no1)C(=O)[O-] ZINC000262175204 328848313 /nfs/dbraw/zinc/84/83/13/328848313.db2.gz PKNWRSMVUAVAPN-LLVKDONJSA-N -1 0 365.386 2.037 10 0 FEAERM Cc1nc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)nn1-c1ccc(F)cc1 ZINC000262198267 328850535 /nfs/dbraw/zinc/85/05/35/328850535.db2.gz QRZDMXDPPRXZFD-UHFFFAOYSA-N -1 0 360.389 2.478 10 0 FEAERM COc1cc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])cc(OC)c1OC ZINC000262239249 328853630 /nfs/dbraw/zinc/85/36/30/328853630.db2.gz XVOGBRRCGMFFEK-GFCCVEGCSA-N -1 0 369.414 2.101 10 0 FEAERM Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3C[C@H](C(=O)[O-])[C@@H](C4CC4)C3)c12 ZINC000262270166 328855424 /nfs/dbraw/zinc/85/54/24/328855424.db2.gz YIMMOBMPDNDEHY-CABCVRRESA-N -1 0 368.437 2.337 10 0 FEAERM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262300297 328857792 /nfs/dbraw/zinc/85/77/92/328857792.db2.gz AIAHYZMLFAQLFP-CQSZACIVSA-N -1 0 368.430 2.201 10 0 FEAERM CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1(C(=O)[O-])CCCCC1 ZINC000262769960 328887954 /nfs/dbraw/zinc/88/79/54/328887954.db2.gz LFXAHWULOCLHNT-UHFFFAOYSA-N -1 0 373.858 2.360 10 0 FEAERM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262822355 328892300 /nfs/dbraw/zinc/89/23/00/328892300.db2.gz QEIQHMMHBZPAMT-HEHGZKQESA-N -1 0 374.441 2.320 10 0 FEAERM CCc1ccc(C(=O)CCC(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cc1 ZINC000262889295 328897985 /nfs/dbraw/zinc/89/79/85/328897985.db2.gz HSUUUIMSOAGACU-QGZVFWFLSA-N -1 0 361.438 2.456 10 0 FEAERM CCN1C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1=O ZINC000262905013 328899217 /nfs/dbraw/zinc/89/92/17/328899217.db2.gz DYYIRQJQMIVGOP-FVMDXXJSSA-N -1 0 373.236 2.278 10 0 FEAERM CC(C)(C)OCC[C@@H](NC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000262908894 328899368 /nfs/dbraw/zinc/89/93/68/328899368.db2.gz HFMJSVNBZVAJGH-CYBMUJFWSA-N -1 0 366.389 2.099 10 0 FEAERM CCC(=O)c1ccc(C(=O)N2CCC[C@@H](N(CC(=O)[O-])C(C)=O)CC2)cc1 ZINC000262964148 328904304 /nfs/dbraw/zinc/90/43/04/328904304.db2.gz QOXYAFMVCPPODS-QGZVFWFLSA-N -1 0 374.437 2.207 10 0 FEAERM CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)cc2C1=O ZINC000263033365 328910137 /nfs/dbraw/zinc/91/01/37/328910137.db2.gz SCXFPMFRHKIFCU-XHDPSFHLSA-N -1 0 360.410 2.312 10 0 FEAERM COc1ccc(F)c2[nH]c(C(=O)NC[C@@H](C(=O)[O-])C3CCOCC3)cc21 ZINC000263068117 328912721 /nfs/dbraw/zinc/91/27/21/328912721.db2.gz YAIBYWVRMYRDGQ-GFCCVEGCSA-N -1 0 364.373 2.173 10 0 FEAERM CN1C(=O)C[C@H](C(=O)N2CCC[C@](C)(C(=O)[O-])C2)[C@H]1c1ccc(F)cc1 ZINC000263078599 328913718 /nfs/dbraw/zinc/91/37/18/328913718.db2.gz UNKHNHDLPHBEKK-GMBSWORKSA-N -1 0 362.401 2.058 10 0 FEAERM CCCCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C)C[C@H]3C(=O)[O-])cc2C1=O ZINC000263179567 328922436 /nfs/dbraw/zinc/92/24/36/328922436.db2.gz ZMJMUNUDNIFLNE-WBMJQRKESA-N -1 0 372.421 2.408 10 0 FEAERM COc1ccccc1C(=O)N[C@@H](C(=O)NCCC(C)(C)C(=O)[O-])C(C)C ZINC000263181850 328922807 /nfs/dbraw/zinc/92/28/07/328922807.db2.gz ZQCZKRKCKKBOGO-OAHLLOKOSA-N -1 0 364.442 2.067 10 0 FEAERM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000263189762 328923774 /nfs/dbraw/zinc/92/37/74/328923774.db2.gz IKGFWYIIOWFCMG-WFASDCNBSA-N -1 0 368.455 2.017 10 0 FEAERM CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000263209915 328925276 /nfs/dbraw/zinc/92/52/76/328925276.db2.gz LIMHKZKFMIOFCI-DNVCBOLYSA-N -1 0 364.417 2.293 10 0 FEAERM Cc1nc(CCNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)sc1C ZINC000263265605 328929199 /nfs/dbraw/zinc/92/91/99/328929199.db2.gz QZEHSBVRAZBGCK-NXEZZACHSA-N -1 0 365.377 2.207 10 0 FEAERM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCCC3)C2)C[C@H]1C(F)(F)F ZINC000263303363 328931581 /nfs/dbraw/zinc/93/15/81/328931581.db2.gz XHMAHIIHZZTXOQ-QJPTWQEYSA-N -1 0 364.364 2.383 10 0 FEAERM C/C=C/C[C@@H](NC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000263308329 328931858 /nfs/dbraw/zinc/93/18/58/328931858.db2.gz WJQIQGPMNSWSTR-FSHFUFFASA-N -1 0 368.430 2.422 10 0 FEAERM CN(CCC(=O)[O-])C(=O)NCc1c(F)cc(Br)cc1F ZINC000263358185 328934746 /nfs/dbraw/zinc/93/47/46/328934746.db2.gz JPNPAHBXGJCFMR-UHFFFAOYSA-N -1 0 351.147 2.343 10 0 FEAERM O=C([O-])c1cccc(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000263387843 328936869 /nfs/dbraw/zinc/93/68/69/328936869.db2.gz FJAWBVYBCDFLKD-LLVKDONJSA-N -1 0 367.452 2.107 10 0 FEAERM CC[C@@H](CC(=O)N1Cc2nnc(C)n2C[C@@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000263406062 328937857 /nfs/dbraw/zinc/93/78/57/328937857.db2.gz HTLQPMZCWFHNMF-GOEBONIOSA-N -1 0 356.426 2.274 10 0 FEAERM Cn1cc([C@@H]2CCN(C(=O)N[C@H](CCC(=O)[O-])Cc3ccccc3)C2)cn1 ZINC000263466712 328941649 /nfs/dbraw/zinc/94/16/49/328941649.db2.gz KEHHCMIJAIDHCG-SJLPKXTDSA-N -1 0 370.453 2.395 10 0 FEAERM O=C([O-])C1(CNC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000263479600 328943005 /nfs/dbraw/zinc/94/30/05/328943005.db2.gz UHTBAGOQAHTFBC-HIHZZFLASA-N -1 0 374.481 2.175 10 0 FEAERM O=C([O-])C1(CNC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000263498607 328944070 /nfs/dbraw/zinc/94/40/70/328944070.db2.gz YKVFZORALVWQMP-UHFFFAOYSA-N -1 0 355.272 2.350 10 0 FEAERM COCc1cc(OCC(=O)[O-])nc(NCCc2ccc(Cl)cc2)n1 ZINC000073707673 522937887 /nfs/dbraw/zinc/93/78/87/522937887.db2.gz CDJHLUVXIDQCHV-UHFFFAOYSA-N -1 0 351.790 2.394 10 0 FEAERM Cc1cc(=O)n(C2=NS(=O)(=O)c3ccccc3N2c2ccccc2)[n-]1 ZINC000005487665 535253941 /nfs/dbraw/zinc/25/39/41/535253941.db2.gz IJMXWLDPQZCZMZ-UHFFFAOYSA-N -1 0 354.391 2.491 10 0 FEAERM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CCN(C)C)c1ccccc1 ZINC000185128675 547937591 /nfs/dbraw/zinc/93/75/91/547937591.db2.gz QEUFHTFULDOSSY-UHFFFAOYSA-N -1 0 362.451 2.450 10 0 FEAERM O=C([O-])c1nn(-c2ccc(Cl)cc2)nc1N1CCCC[C@@H]1CCO ZINC000256048213 549710821 /nfs/dbraw/zinc/71/08/21/549710821.db2.gz RLIPOHKORXMTOZ-GFCCVEGCSA-N -1 0 350.806 2.360 10 0 FEAERM CC(C)C[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)C(=O)[O-] ZINC000262546096 549827356 /nfs/dbraw/zinc/82/73/56/549827356.db2.gz WBRAGODYMDOWRC-HOCLYGCPSA-N -1 0 366.433 2.443 10 0 FEAERM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)C(C)(C)c2cccs2)CC1 ZINC000262726149 549843393 /nfs/dbraw/zinc/84/33/93/549843393.db2.gz HFIBEMZOELSGCL-AWEZNQCLSA-N -1 0 366.483 2.340 10 0 FEAERM CC(=O)N(CC(=O)[O-])[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000262989422 549868705 /nfs/dbraw/zinc/86/87/05/549868705.db2.gz VGYNOZNJPJTDAV-IBGZPJMESA-N -1 0 372.465 2.032 10 0 FEAERM C[C@@H]1CN(S(=O)(=O)c2cccc3c(Cl)ccnc32)C[C@H]1C(=O)[O-] ZINC000263029967 549872595 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O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000262647761 549835053 /nfs/dbraw/zinc/83/50/53/549835053.db2.gz AKCQXOWLHHCQAH-HNKHHVNMSA-N -1 0 360.410 2.107 10 0 FEAERM COc1cccc2[nH]cc(CC(=O)N[C@H](CCOC(C)(C)C)C(=O)[O-])c21 ZINC000262952802 549865420 /nfs/dbraw/zinc/86/54/20/549865420.db2.gz MVTQPVSSGZJFTH-CQSZACIVSA-N -1 0 362.426 2.494 10 0 FEAERM O=C([O-])[C@H](CNC(=O)CCCOc1cccc(F)c1)C1CCOCC1 ZINC000263032430 549872845 /nfs/dbraw/zinc/87/28/45/549872845.db2.gz VBYNZNIMKOWGIV-MRXNPFEDSA-N -1 0 353.390 2.228 10 0 FEAERM COc1cc(C)c([C@@H](C)NC(=O)CN([C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC000263195897 549885176 /nfs/dbraw/zinc/88/51/76/549885176.db2.gz WLVFRAMKNPRKKV-CHWSQXEVSA-N -1 0 364.442 2.127 10 0 FEAERM C[C@H]1Oc2ccccc2[C@H]1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263319267 549894722 /nfs/dbraw/zinc/89/47/22/549894722.db2.gz AFAXWZSXOCZRLX-VUXODMRMSA-N -1 0 358.316 2.413 10 0 FEAERM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263319271 549894755 /nfs/dbraw/zinc/89/47/55/549894755.db2.gz AFAXWZSXOCZRLX-WHIUSJLISA-N -1 0 358.316 2.413 10 0 FEAERM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)C[C@H]1C(F)(F)F ZINC000263342298 549896508 /nfs/dbraw/zinc/89/65/08/549896508.db2.gz FQTZSULFXYXALY-UTUOFQBUSA-N -1 0 364.364 2.240 10 0 FEAERM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263361294 549897394 /nfs/dbraw/zinc/89/73/94/549897394.db2.gz KNCXDGMHSDVIHL-IXDOHACOSA-N -1 0 362.426 2.110 10 0 FEAERM Cc1csc([C@](O)(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])C(F)(F)F)n1 ZINC000263406169 549899814 /nfs/dbraw/zinc/89/98/14/549899814.db2.gz GDZCYZYSKOAKKJ-QWHCGFSZSA-N -1 0 366.361 2.057 10 0 FEAERM O=C([O-])c1ccc(CN2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)cc1 ZINC000263410483 549899851 /nfs/dbraw/zinc/89/98/51/549899851.db2.gz LIBZGQLOVKCTQO-CYBMUJFWSA-N -1 0 370.331 2.112 10 0 FEAERM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cn1 ZINC000171796671 672336126 /nfs/dbraw/zinc/33/61/26/672336126.db2.gz 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Cc1c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)[nH]c2c1C(=O)CCC2 ZINC000262325235 672913472 /nfs/dbraw/zinc/91/34/72/672913472.db2.gz RTDONHKIVXJIAC-RKDXNWHRSA-N -1 0 358.316 2.177 10 0 FEAERM O=C([O-])c1cc(Br)cc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1 ZINC000262645834 672918695 /nfs/dbraw/zinc/91/86/95/672918695.db2.gz ILUNTEZHRBQTFC-TVQRCGJNSA-N -1 0 356.216 2.428 10 0 FEAERM CSc1cccc(N2C[C@H](C(=O)N3CCCC[C@H]3C(=O)[O-])CC2=O)c1 ZINC000262667117 672919035 /nfs/dbraw/zinc/91/90/35/672919035.db2.gz NTVQUGVQRSQJDJ-DOMZBBRYSA-N -1 0 362.451 2.227 10 0 FEAERM Cc1ccc(N2CC[C@@H](N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)C2=O)cc1 ZINC000263082915 672927340 /nfs/dbraw/zinc/92/73/40/672927340.db2.gz XRUTZDMWSKGHTI-MGPQQGTHSA-N -1 0 356.344 2.295 10 0 FEAERM CC[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C1CCOCC1 ZINC000263168431 672929693 /nfs/dbraw/zinc/92/96/93/672929693.db2.gz CUNMKVDQVHZJQQ-IJLUTSLNSA-N -1 0 352.353 2.096 10 0 FEAERM C[C@@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000310859361 673026107 /nfs/dbraw/zinc/02/61/07/673026107.db2.gz CEJDWDWQRXNTAW-AWEZNQCLSA-N -1 0 362.451 2.184 10 0 FEAERM O=C([O-])CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1 ZINC000002690481 539350966 /nfs/dbraw/zinc/35/09/66/539350966.db2.gz IGYWJWOQXUWVAG-UHFFFAOYSA-N -1 0 366.352 2.249 10 0 FEAERM O=C([O-])CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCCO)[C@H](O)C[C@@H]1O ZINC000005975942 539419412 /nfs/dbraw/zinc/41/94/12/539419412.db2.gz XQXUYZDBZCLAQO-RFADRZLWSA-N -1 0 370.486 2.015 10 0 FEAERM CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000006398610 539427477 /nfs/dbraw/zinc/42/74/77/539427477.db2.gz ABSAPLNIQBUNQT-UHFFFAOYSA-N -1 0 352.412 2.037 10 0 FEAERM CCOc1c(Br)cc(CCNC(=O)CCC(=O)[O-])cc1OC ZINC000008022157 539474998 /nfs/dbraw/zinc/47/49/98/539474998.db2.gz QQQQDASCJRRTAX-UHFFFAOYSA-N -1 0 374.231 2.380 10 0 FEAERM Cc1cccc(C)c1OCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008029588 539475848 /nfs/dbraw/zinc/47/58/48/539475848.db2.gz HODVYDHAJOAABV-UHFFFAOYSA-N -1 0 367.398 2.498 10 0 FEAERM CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000016901986 220195463 /nfs/dbraw/zinc/19/54/63/220195463.db2.gz HECJVOWHKZBEPP-AWEZNQCLSA-N -1 0 370.361 2.233 10 0 FEAERM O=C([O-])CN1c2nnnn2[C@H](c2ccc(F)cc2)C=C1c1ccccc1 ZINC000049466109 221023253 /nfs/dbraw/zinc/02/32/53/221023253.db2.gz RTXPQIDNXRRIDB-INIZCTEOSA-N -1 0 351.341 2.347 10 0 FEAERM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)n(-c2ccc(Cl)nn2)[n-]1 ZINC000072465181 136148911 /nfs/dbraw/zinc/14/89/11/136148911.db2.gz AUVPCIHGOSKHKQ-UHFFFAOYSA-N -1 0 371.832 2.365 10 0 FEAERM CCCC(=O)N[C@H]1CCCN(C(=O)c2nn(-c3ccccc3F)cc2[O-])C1 ZINC000104880874 543149132 /nfs/dbraw/zinc/14/91/32/543149132.db2.gz LPTPPIYRVNCQRX-ZDUSSCGKSA-N -1 0 374.416 2.238 10 0 FEAERM Cc1ccc(O)c(N[C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)c1 ZINC000102310729 222293730 /nfs/dbraw/zinc/29/37/30/222293730.db2.gz AZXRCPJANUFHIU-AWEZNQCLSA-N -1 0 354.362 2.451 10 0 FEAERM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151010083 544495532 /nfs/dbraw/zinc/49/55/32/544495532.db2.gz LMZUZSXVCMFTDJ-DJJJIMSYSA-N -1 0 359.401 2.484 10 0 FEAERM CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCCNC(=O)[C@H]3C)n2)cc1 ZINC000188092317 328065237 /nfs/dbraw/zinc/06/52/37/328065237.db2.gz HIRCZZGLKURNOU-CYBMUJFWSA-N -1 0 356.426 2.052 10 0 FEAERM Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194282233 328417851 /nfs/dbraw/zinc/41/78/51/328417851.db2.gz KGUAFKXBOVIARP-ZDUSSCGKSA-N -1 0 372.816 2.396 10 0 FEAERM Cc1nc(C=Cc2nccn2-c2ccccc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000195503232 328480343 /nfs/dbraw/zinc/48/03/43/328480343.db2.gz MPAVSSKMVKKRNE-CMDGGOBGSA-N -1 0 350.378 2.452 10 0 FEAERM CCN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000236958870 328499468 /nfs/dbraw/zinc/49/94/68/328499468.db2.gz PWGRAOKTYXKDLS-FYMRZPMTSA-N -1 0 362.470 2.127 10 0 FEAERM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1COc2ccccc21 ZINC000058960025 324845414 /nfs/dbraw/zinc/84/54/14/324845414.db2.gz OVNBRAVORMNBPM-CQSZACIVSA-N -1 0 350.371 2.061 10 0 FEAERM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000237032374 328502019 /nfs/dbraw/zinc/50/20/19/328502019.db2.gz QZNJHVVKHXSGJP-INIZCTEOSA-N -1 0 362.451 2.274 10 0 FEAERM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)C1 ZINC000237259274 328510179 /nfs/dbraw/zinc/51/01/79/328510179.db2.gz CFTNLNKPRBMBOG-DZGCQCFKSA-N -1 0 363.801 2.148 10 0 FEAERM O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCN(c2cnccn2)CC1 ZINC000106905001 325615081 /nfs/dbraw/zinc/61/50/81/325615081.db2.gz AHCPGGYZXQVKCU-UHFFFAOYSA-N -1 0 353.209 2.451 10 0 FEAERM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1COc2ccccc21 ZINC000123455547 326432083 /nfs/dbraw/zinc/43/20/83/326432083.db2.gz OVNBRAVORMNBPM-AWEZNQCLSA-N -1 0 350.371 2.061 10 0 FEAERM CCc1ccc([C@H]2CCCCN2C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)o1 ZINC000129435224 326540434 /nfs/dbraw/zinc/54/04/34/326540434.db2.gz ZKFRDDOXWDCLJL-CQSZACIVSA-N -1 0 368.393 2.134 10 0 FEAERM CN(C(=O)C1CC1)c1ccccc1C(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000262202267 328850728 /nfs/dbraw/zinc/85/07/28/328850728.db2.gz SKVCJGYTOBFBBR-CVEARBPZSA-N -1 0 356.422 2.242 10 0 FEAERM CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O)C(=O)[O-] ZINC000262429699 328865513 /nfs/dbraw/zinc/86/55/13/328865513.db2.gz BLWFPQRBRVZODU-HNNXBMFYSA-N -1 0 360.410 2.456 10 0 FEAERM CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1nc(C)c(C(=O)[O-])s1 ZINC000262527978 328871035 /nfs/dbraw/zinc/87/10/35/328871035.db2.gz HGHURXAOROINNT-QWRGUYRKSA-N -1 0 353.444 2.118 10 0 FEAERM CN(CCOc1ccc(Br)cc1)C(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262627071 328877255 /nfs/dbraw/zinc/87/72/55/328877255.db2.gz DUUDALNYLZTVBN-QWHCGFSZSA-N -1 0 356.216 2.397 10 0 FEAERM CN(CCOc1ccc(Br)cc1)C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262627069 328877301 /nfs/dbraw/zinc/87/73/01/328877301.db2.gz DUUDALNYLZTVBN-OLZOCXBDSA-N -1 0 356.216 2.397 10 0 FEAERM C[C@H](c1ccccc1)N1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CC1=O ZINC000262797184 328890219 /nfs/dbraw/zinc/89/02/19/328890219.db2.gz AEJHCFFBRCFMHX-CFLZNVQHSA-N 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CCOc1ccc(CCNC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1OCC ZINC000262883043 672922874 /nfs/dbraw/zinc/92/28/74/672922874.db2.gz BGRWKABIWOOMGQ-CYBMUJFWSA-N -1 0 352.431 2.389 10 0 FEAERM O=C([O-])[C@H](CNC(=O)Cc1ccc(OC(F)F)cc1)C1CCOCC1 ZINC000262951598 672924324 /nfs/dbraw/zinc/92/43/24/672924324.db2.gz MVKMVYOKWKRWCO-CQSZACIVSA-N -1 0 357.353 2.074 10 0 FEAERM O=C([O-])[C@@H]1CN(C(=O)NC[C@@H]2CCOC3(CCC3)C2)C[C@H]1C(F)(F)F ZINC000263355207 672931305 /nfs/dbraw/zinc/93/13/05/672931305.db2.gz IVFGQZGAVAFSDF-IJLUTSLNSA-N -1 0 364.364 2.240 10 0 FEAERM C[C@@H](CN(C)C(=O)NCCN1CCc2c(Cl)cccc2C1)C(=O)[O-] ZINC000263397217 672932233 /nfs/dbraw/zinc/93/22/33/672932233.db2.gz RNNBWZGGRFXAQP-LBPRGKRZSA-N -1 0 353.850 2.060 10 0 FEAERM CC(C)Cc1nnc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)s1 ZINC000263477850 672934141 /nfs/dbraw/zinc/93/41/41/672934141.db2.gz JUOJPGGAPHHOPW-HTQZYQBOSA-N -1 0 366.365 2.463 10 0 FEAERM O=C([O-])CC[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000380539740 673156480 /nfs/dbraw/zinc/15/64/80/673156480.db2.gz VTCGCLKLOFMGBB-NSHDSACASA-N -1 0 362.245 2.467 10 0 FEAERM CC(C)SCCNC(=O)[C@H]1CC[C@H](C(=O)[O-])N1Cc1ccccc1 ZINC000600984770 673817158 /nfs/dbraw/zinc/81/71/58/673817158.db2.gz XFVJYDKFEIUXNN-HZPDHXFCSA-N -1 0 350.484 2.362 10 0 FEAERM CC(C)(C)OC(=O)N[C@@]1(c2noc(CCC(=O)[O-])n2)CCCOCC1 ZINC000757181517 680518708 /nfs/dbraw/zinc/51/87/08/680518708.db2.gz CJWSASYJBXBXNR-INIZCTEOSA-N -1 0 355.391 2.007 10 0 FEAERM C[C@H](CC(=O)NCc1cccnc1)CC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000015826811 539623999 /nfs/dbraw/zinc/62/39/99/539623999.db2.gz YRKWNQSNJVKVLP-ZDUSSCGKSA-N -1 0 372.450 2.136 10 0 FEAERM COCC[C@H]1CN(Cc2cccc(-c3nc(C)c(F)c(=O)[n-]3)c2)CCO1 ZINC000023250554 539710529 /nfs/dbraw/zinc/71/05/29/539710529.db2.gz JFOVOSBSMVAGCB-INIZCTEOSA-N -1 0 361.417 2.122 10 0 FEAERM O=Nc1c2ccccc2[nH]c1OC(=S)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000040168645 540008844 /nfs/dbraw/zinc/00/88/44/540008844.db2.gz RYONIYCWQMWIMP-SECBINFHSA-N -1 0 353.425 2.254 10 0 FEAERM C[C@@H]1C(=O)N2[C@H](C[C@@H]3CCC[C@@H]32)C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000226820990 209367945 /nfs/dbraw/zinc/36/79/45/209367945.db2.gz DZRWPCCIYKIPJW-NBZXXOOGSA-N -1 0 370.449 2.073 10 0 FEAERM CCn1nc(C)c(CCN(C)c2ncc(NC(C)=O)cc2C(=O)[O-])c1C ZINC000064978956 541222788 /nfs/dbraw/zinc/22/27/88/541222788.db2.gz ZSQJBDKUNFKLOW-UHFFFAOYSA-N -1 0 359.430 2.250 10 0 FEAERM CCN(c1ccccc1)[C@H]1CC(=O)N(c2ccc(CC(=O)[O-])cc2)C1=O ZINC000102311155 209234888 /nfs/dbraw/zinc/23/48/88/209234888.db2.gz UKXAHKSUNZTCCC-KRWDZBQOSA-N -1 0 352.390 2.472 10 0 FEAERM COc1cccc(-c2c(C(=O)[O-])nnn2-c2ccc(S(C)(=O)=O)cc2)c1 ZINC000070456767 541733873 /nfs/dbraw/zinc/73/38/73/541733873.db2.gz PXEVNBIVBFAONS-UHFFFAOYSA-N -1 0 373.390 2.045 10 0 FEAERM Cc1c(S(=O)(=O)c2ccc(C)cc2)nnn1-c1ccc(C(=O)[O-])cc1 ZINC000011730454 207320906 /nfs/dbraw/zinc/32/09/06/207320906.db2.gz FBHURRHTAIHMIN-UHFFFAOYSA-N -1 0 357.391 2.415 10 0 FEAERM Cc1nc2scc(-c3ccccc3)c2c(N[C@@H](CC(N)=O)C(=O)[O-])n1 ZINC000020316785 207731721 /nfs/dbraw/zinc/73/17/21/207731721.db2.gz VLPGYGOKFYAHAE-LBPRGKRZSA-N -1 0 356.407 2.407 10 0 FEAERM CCOC(=O)[C@H](CC)Sc1nc2ccsc2c(=O)n1CCC(=O)[O-] ZINC000073661585 208188224 /nfs/dbraw/zinc/18/82/24/208188224.db2.gz WOXUSEDAZXBCHY-JTQLQIEISA-N -1 0 370.452 2.367 10 0 FEAERM COC(=O)c1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)CCCC3)cc1 ZINC000073701442 208190449 /nfs/dbraw/zinc/19/04/49/208190449.db2.gz LZLSBBCSQLTKEP-UHFFFAOYSA-N -1 0 357.366 2.349 10 0 FEAERM O=C([O-])[C@@]1(Cc2cc(Br)ccc2F)CCS(=O)(=O)C1 ZINC000054632022 208458149 /nfs/dbraw/zinc/45/81/49/208458149.db2.gz CFCXUVVUVXUHHW-GFCCVEGCSA-N -1 0 351.193 2.020 10 0 FEAERM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccc3ncsc3c2)CC1 ZINC000072432355 208859857 /nfs/dbraw/zinc/85/98/57/208859857.db2.gz UBWVWUGFGDBTOW-UHFFFAOYSA-N -1 0 356.407 2.209 10 0 FEAERM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCCc4ccccc43)C2=O)cc1O ZINC000102313445 132234985 /nfs/dbraw/zinc/23/49/85/132234985.db2.gz ROTHRDPOJSKOSF-MRXNPFEDSA-N -1 0 366.373 2.175 10 0 FEAERM C[C@H]1C(=O)N2[C@@H](C[C@@H]3CCC[C@@H]32)C(=O)N1[C@@H](CCc1ccccc1)C(=O)[O-] ZINC000105853864 543182734 /nfs/dbraw/zinc/18/27/34/543182734.db2.gz DZRWPCCIYKIPJW-HILJTLORSA-N -1 0 370.449 2.073 10 0 FEAERM O=C(NC1CN(C(=O)c2cc(Cl)cc(Br)c2[O-])C1)C1CC1 ZINC000189051857 328125824 /nfs/dbraw/zinc/12/58/24/328125824.db2.gz WGMZZHIJPGIBRW-UHFFFAOYSA-N -1 0 373.634 2.159 10 0 FEAERM CCO[C@@H]1C[C@](NC(=O)c2ccc(Br)cn2)(C(=O)[O-])C1(C)C ZINC000193056367 328354645 /nfs/dbraw/zinc/35/46/45/328354645.db2.gz VFVNEDFNDRGTCU-ABAIWWIYSA-N -1 0 371.231 2.232 10 0 FEAERM CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000236952363 328499226 /nfs/dbraw/zinc/49/92/26/328499226.db2.gz GYAMXDWITZPGLQ-FIXISWKDSA-N -1 0 352.818 2.308 10 0 FEAERM CCC[C@H](NC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000237000810 328500810 /nfs/dbraw/zinc/50/08/10/328500810.db2.gz HSARUDRPRULGBZ-STQMWFEESA-N -1 0 365.821 2.314 10 0 FEAERM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc(-c3cccc(Cl)c3)no2)C1 ZINC000237243492 328509711 /nfs/dbraw/zinc/50/97/11/328509711.db2.gz CJKZVJFIZJZSIT-AAEUAGOBSA-N -1 0 350.758 2.309 10 0 FEAERM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000119657698 326185137 /nfs/dbraw/zinc/18/51/37/326185137.db2.gz FBKNPKWOUBRRIT-KDOFPFPSSA-N -1 0 366.483 2.215 10 0 FEAERM Cn1cc(CN2CCCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)cn1 ZINC000174653903 327341717 /nfs/dbraw/zinc/34/17/17/327341717.db2.gz OHAFNPXPXUYSHB-UHFFFAOYSA-N -1 0 371.466 2.198 10 0 FEAERM Cc1nnc([C@H]2CN(C(=O)c3c([O-])cc(Cl)cc3Cl)CCO2)[nH]1 ZINC000175257958 327382952 /nfs/dbraw/zinc/38/29/52/327382952.db2.gz SSBVPXIVYATTAC-LLVKDONJSA-N -1 0 357.197 2.339 10 0 FEAERM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)C1 ZINC000262136700 328845101 /nfs/dbraw/zinc/84/51/01/328845101.db2.gz LIVKXZQSSSBBJK-BZHVJNSISA-N -1 0 362.209 2.461 10 0 FEAERM COc1ccc(-c2ncc(C(=O)N3C[C@H](OC)C[C@H]3C(=O)[O-])s2)cc1 ZINC000262165662 328847435 /nfs/dbraw/zinc/84/74/35/328847435.db2.gz PSJOTDCIHXJENU-OLZOCXBDSA-N -1 0 362.407 2.133 10 0 FEAERM C[C@H](NC(=O)CC1CCCCC1)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262171847 328848162 /nfs/dbraw/zinc/84/81/62/328848162.db2.gz CNRIWELNZQJANC-ZUEVXXBESA-N -1 0 350.459 2.175 10 0 FEAERM C[C@@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H](CCOC(C)(C)C)C(=O)[O-] ZINC000262203396 328850844 /nfs/dbraw/zinc/85/08/44/328850844.db2.gz SKZPOYNABMNIBZ-HIFRSBDPSA-N -1 0 370.490 2.236 10 0 FEAERM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262300295 328857722 /nfs/dbraw/zinc/85/77/22/328857722.db2.gz AIAHYZMLFAQLFP-AWEZNQCLSA-N -1 0 368.430 2.201 10 0 FEAERM C[C@H](OCc1ccccc1)C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000262711498 328882975 /nfs/dbraw/zinc/88/29/75/328882975.db2.gz FMCQKSNMPHKYJW-HNNXBMFYSA-N -1 0 357.406 2.414 10 0 FEAERM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(=O)c1cnc(C)cn1)CC2 ZINC000262732614 328885111 /nfs/dbraw/zinc/88/51/11/328885111.db2.gz HLCRTUNHSMABFS-HNNXBMFYSA-N -1 0 371.393 2.017 10 0 FEAERM CSc1ccc(Cl)c(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])c1 ZINC000262748914 328886502 /nfs/dbraw/zinc/88/65/02/328886502.db2.gz ABBRWEGFEWYWKV-LBPRGKRZSA-N -1 0 366.830 2.071 10 0 FEAERM C[C@@H](NC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)c1ccc(-n2cncn2)cc1 ZINC000263018603 328908760 /nfs/dbraw/zinc/90/87/60/328908760.db2.gz OHIRIAKLAHDECL-FRIZHTMISA-N -1 0 369.425 2.225 10 0 FEAERM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2CCCN2C(=O)c2cccs2)C1 ZINC000263044052 328910672 /nfs/dbraw/zinc/91/06/72/328910672.db2.gz DIBMYDFLEQTYOD-PXAZEXFGSA-N -1 0 350.440 2.066 10 0 FEAERM O=C([O-])[C@H]1CCO[C@H]1C1CCN(C(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000263055792 328911731 /nfs/dbraw/zinc/91/17/31/328911731.db2.gz AWAYHGXOMZAEID-LRDDRELGSA-N -1 0 361.373 2.044 10 0 FEAERM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)cc1 ZINC000263063482 328912287 /nfs/dbraw/zinc/91/22/87/328912287.db2.gz XKROERIJXYDPLX-JLZZUVOBSA-N -1 0 374.437 2.138 10 0 FEAERM CCCOc1ccc(-c2nc(C(=O)NC[C@@H](OC)C(=O)[O-])cs2)cc1 ZINC000263073524 328913195 /nfs/dbraw/zinc/91/31/95/328913195.db2.gz KDDMYWQISMHJOI-CQSZACIVSA-N -1 0 364.423 2.428 10 0 FEAERM CCOCCC(=O)N1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000263072842 328913246 /nfs/dbraw/zinc/91/32/46/328913246.db2.gz RNGHXLZMHORQIT-CYBMUJFWSA-N -1 0 356.216 2.214 10 0 FEAERM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000263108141 328916166 /nfs/dbraw/zinc/91/61/66/328916166.db2.gz BNSWLHVPNNMEAZ-GHMZBOCLSA-N -1 0 372.343 2.147 10 0 FEAERM Cc1cnc([C@H](C)NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)s1 ZINC000263192802 328923888 /nfs/dbraw/zinc/92/38/88/328923888.db2.gz GOHZHYBCDIJSIR-DJLDLDEBSA-N -1 0 351.350 2.417 10 0 FEAERM Cc1cc(Br)cn2cc(CNC(=O)N(C)CCC(=O)[O-])nc12 ZINC000263311029 328932097 /nfs/dbraw/zinc/93/20/97/328932097.db2.gz YRAUHNVBLVIHSQ-UHFFFAOYSA-N -1 0 369.219 2.021 10 0 FEAERM C/C=C/C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000263317419 328932612 /nfs/dbraw/zinc/93/26/12/328932612.db2.gz ZKUKKEXESKYFBV-VNHAASDWSA-N -1 0 370.405 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/nfs/dbraw/zinc/93/29/11/328932911.db2.gz JKGMXDWXLAWFLV-MRXNPFEDSA-N -1 0 353.378 2.014 10 0 FEAERM COc1cc(OC)cc(N2CC[C@H](CNc3cnc(C(=O)[O-])cn3)C2)c1 ZINC000263402124 328937688 /nfs/dbraw/zinc/93/76/88/328937688.db2.gz JINMWPISPNYDRY-GFCCVEGCSA-N -1 0 358.398 2.130 10 0 FEAERM CC(=O)N(CC(=O)[O-])[C@@H]1CCCN(C(=O)c2c(F)ccc(F)c2F)CC1 ZINC000263448686 328940367 /nfs/dbraw/zinc/94/03/67/328940367.db2.gz RRDOFXHNDZQFGC-LLVKDONJSA-N -1 0 372.343 2.032 10 0 FEAERM Cc1csc(CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263460259 328941219 /nfs/dbraw/zinc/94/12/19/328941219.db2.gz VOHNSCDQEMBBGA-NXEZZACHSA-N -1 0 350.362 2.496 10 0 FEAERM O=C([O-])CCCNC(=O)N1C[C@H](O)C[C@H]1c1ccccc1C(F)(F)F ZINC000263471206 328942208 /nfs/dbraw/zinc/94/22/08/328942208.db2.gz LJCSDPGHFVFRGW-MFKMUULPSA-N -1 0 360.332 2.388 10 0 FEAERM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000263489091 328943361 /nfs/dbraw/zinc/94/33/61/328943361.db2.gz WGSXKEACBUZUPL-CABCVRRESA-N -1 0 373.384 2.135 10 0 FEAERM CCc1c(C)nc(N2CCN(c3ccccc3)CC2)nc1OCC(=O)[O-] ZINC000073709507 536070246 /nfs/dbraw/zinc/07/02/46/536070246.db2.gz KEASYYDVYJSVRZ-UHFFFAOYSA-N -1 0 356.426 2.137 10 0 FEAERM CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCCN(c2cccnn2)C1 ZINC000182740984 547544273 /nfs/dbraw/zinc/54/42/73/547544273.db2.gz VJFIKMNMIRBEHS-JTQLQIEISA-N -1 0 366.343 2.341 10 0 FEAERM CCOc1ccc(-n2nc(C(=O)[O-])c(N3CCCC[C@H]3CCO)n2)cc1 ZINC000256046055 549710739 /nfs/dbraw/zinc/71/07/39/549710739.db2.gz CJWHYCIICSVOIF-ZDUSSCGKSA-N -1 0 360.414 2.106 10 0 FEAERM CC1CCC(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)(C(=O)[O-])CC1 ZINC000262122374 549791185 /nfs/dbraw/zinc/79/11/85/549791185.db2.gz IVGMMDWDNDNGTM-HVEKOLDVSA-N -1 0 365.474 2.064 10 0 FEAERM Cc1cccc(NC(=O)NCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000262470234 549822410 /nfs/dbraw/zinc/82/24/10/549822410.db2.gz WTNGEOMWLYIHCE-BMFZPTHFSA-N -1 0 359.426 2.361 10 0 FEAERM CCOc1ccc(C(=O)N[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C(C)C)cc1 ZINC000262743031 549845116 /nfs/dbraw/zinc/84/51/16/549845116.db2.gz HBRRNNRFPKYRBQ-CJNGLKHVSA-N -1 0 364.442 2.019 10 0 FEAERM COCC[S@@](=O)Cc1cccc(NC(=O)C2CCC(C(=O)[O-])CC2)c1 ZINC000262744292 549845660 /nfs/dbraw/zinc/84/56/60/549845660.db2.gz WYEBKEDUJMPODT-JXCLUFJWSA-N -1 0 367.467 2.411 10 0 FEAERM COC[C@]1(C(=O)[O-])CCCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000262816995 549852916 /nfs/dbraw/zinc/85/29/16/549852916.db2.gz DUGAKMOFTJWASX-INIZCTEOSA-N -1 0 359.781 2.198 10 0 FEAERM Cc1c(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)cnn1-c1ccccc1 ZINC000262884487 549859371 /nfs/dbraw/zinc/85/93/71/549859371.db2.gz HIRDNIJXGUOJHX-QGZVFWFLSA-N -1 0 357.410 2.038 10 0 FEAERM Cc1oc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1C(=O)[O-] ZINC000263041868 549873408 /nfs/dbraw/zinc/87/34/08/549873408.db2.gz VVZFNXFJJJEYHB-UHFFFAOYSA-N -1 0 372.377 2.330 10 0 FEAERM O=C([O-])[C@@H]1CN([C@H](C(=O)NC2CC2)c2ccccc2)C[C@H]1C(F)(F)F ZINC000263062809 549874789 /nfs/dbraw/zinc/87/47/89/549874789.db2.gz VPKUNQWGHUGNHV-MCIONIFRSA-N -1 0 356.344 2.201 10 0 FEAERM COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC000263217335 549886442 /nfs/dbraw/zinc/88/64/42/549886442.db2.gz JVCLRKCFCDLFLF-WCQYABFASA-N -1 0 369.849 2.289 10 0 FEAERM C[C@H](CN(C)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)C(=O)[O-] ZINC000263235843 549887929 /nfs/dbraw/zinc/88/79/29/549887929.db2.gz NCLNSNQILFEPBJ-GHMZBOCLSA-N -1 0 357.813 2.420 10 0 FEAERM COc1cc(OC)c(C[C@@H](C)NC(=O)N(C)C[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000263428043 549900631 /nfs/dbraw/zinc/90/06/31/549900631.db2.gz YGZKORDJVDOBQQ-VXGBXAGGSA-N -1 0 368.430 2.006 10 0 FEAERM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)c1cc3cc(C)c(C)cc3o1)C2 ZINC000263452708 549902418 /nfs/dbraw/zinc/90/24/18/549902418.db2.gz SXOARVPQLIZWGH-CYBMUJFWSA-N -1 0 354.366 2.059 10 0 FEAERM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)c1sc3cc(F)ccc3c1C)C2 ZINC000263458879 549902909 /nfs/dbraw/zinc/90/29/09/549902909.db2.gz VFZMWYHRKRQDLW-GFCCVEGCSA-N -1 0 374.397 2.358 10 0 FEAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(C(=O)c1cccc(Cl)c1Cl)C2 ZINC000263478068 549904271 /nfs/dbraw/zinc/90/42/71/549904271.db2.gz ZQYNJVAIBYBYGJ-JTQLQIEISA-N -1 0 355.181 2.003 10 0 FEAERM Cn1ccc(N2[C@@H](C(=O)[O-])CC[C@H]2CNC(=O)OCc2ccccc2)c1 ZINC000536952633 562583172 /nfs/dbraw/zinc/58/31/72/562583172.db2.gz CUWHXSVYWCNMNU-DOTOQJQBSA-N -1 0 357.410 2.374 10 0 FEAERM CC(C)(C)OC(=O)Cn1cc(-c2cccc(C=O)c2)cc(C(=O)[O-])c1=O ZINC000725261934 570526362 /nfs/dbraw/zinc/52/63/62/570526362.db2.gz NVXREFURGRFKKT-UHFFFAOYSA-N -1 0 357.362 2.368 10 0 FEAERM COc1ccc(Cl)cc1CC(=O)NC[C@H](C(=O)[O-])C1CCOCC1 ZINC000262933160 571351623 /nfs/dbraw/zinc/35/16/23/571351623.db2.gz LKIFBZXABZKUIS-AWEZNQCLSA-N -1 0 355.818 2.135 10 0 FEAERM COCC[C@@H](NC(=O)N[C@@H](C)c1cccc(Br)c1)C(=O)[O-] ZINC000052787809 670317424 /nfs/dbraw/zinc/31/74/24/670317424.db2.gz LFSHAWNSBAAKDE-JOYOIKCWSA-N -1 0 359.220 2.299 10 0 FEAERM O=C([N-]S(=O)(=O)C[C@@H]1CCCO1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000180243134 672411686 /nfs/dbraw/zinc/41/16/86/672411686.db2.gz JELAHSDFCMACHJ-HBNTYKKESA-N 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ZINC000263370649 672931799 /nfs/dbraw/zinc/93/17/99/672931799.db2.gz MUNPPGCOLCSXDG-GFCCVEGCSA-N -1 0 370.247 2.144 10 0 FEAERM