smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C2)c1 ZINC000008698772 204339158 /nfs/dbraw/zinc/33/91/58/204339158.db2.gz LRITUYCLHOAXCD-HNNXBMFYSA-N 0 2 350.415 2.201 10 0 FEAELN COc1cccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C2)c1 ZINC000008698772 204339162 /nfs/dbraw/zinc/33/91/62/204339162.db2.gz LRITUYCLHOAXCD-HNNXBMFYSA-N 0 2 350.415 2.201 10 0 FEAELN CCc1ccc([C@@H](C)NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)cc1 ZINC000151526371 544552849 /nfs/dbraw/zinc/55/28/49/544552849.db2.gz UVTQGFNKCDRPAY-LLVKDONJSA-N 0 2 352.394 2.386 10 0 FEAELN CC(C)c1nnc2n1C[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)CC2 ZINC000185731890 327930036 /nfs/dbraw/zinc/93/00/36/327930036.db2.gz FYISKYPMZMMUFB-MRVPVSSYSA-N 0 2 354.332 2.269 10 0 FEAELN COC(=O)[C@@H]1CCCCN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000080473660 325132369 /nfs/dbraw/zinc/13/23/69/325132369.db2.gz HHZRHLPJJJXRGZ-AWEZNQCLSA-N 0 2 361.373 2.193 10 0 FEAELN O=C([O-])c1cccc(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)[nH+]1 ZINC000263387843 328936870 /nfs/dbraw/zinc/93/68/70/328936870.db2.gz FJAWBVYBCDFLKD-LLVKDONJSA-N 0 2 367.452 2.107 10 0 FEAELN CC1=NN(C2=NS(=O)(=O)c3ccccc3N2c2ccccc2)C(=O)C1 ZINC000005487665 535253964 /nfs/dbraw/zinc/25/39/64/535253964.db2.gz IJMXWLDPQZCZMZ-UHFFFAOYSA-N 0 2 354.391 2.491 10 0 FEAELN Cc1cc(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)n(-c2ccc(C)cc2)n1 ZINC000263214181 549886039 /nfs/dbraw/zinc/88/60/39/549886039.db2.gz ZOGCXTUECMCNQO-CQSZACIVSA-N 0 2 356.426 2.365 10 0 FEAELN Cc1cc(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CC2)n(-c2ccc(C)cc2)n1 ZINC000263214181 549886042 /nfs/dbraw/zinc/88/60/42/549886042.db2.gz ZOGCXTUECMCNQO-CQSZACIVSA-N 0 2 356.426 2.365 10 0 FEAELN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCS1 ZINC000630670097 676915691 /nfs/dbraw/zinc/91/56/91/676915691.db2.gz BQFZQELOWCGHTL-PVAVHDDUSA-N 0 2 362.495 2.458 10 0 FEAELN C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCS1 ZINC000630670097 676915693 /nfs/dbraw/zinc/91/56/93/676915693.db2.gz BQFZQELOWCGHTL-PVAVHDDUSA-N 0 2 362.495 2.458 10 0 FEAELN Nc1ccc(F)cc1S(=O)(=O)Nc1ncc(Br)s1 ZINC000037929871 205036114 /nfs/dbraw/zinc/03/61/14/205036114.db2.gz JPXNNBTTWXZRPH-UHFFFAOYSA-N 0 2 352.210 2.428 10 0 FEAELN Nc1ccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C(=O)[O-])[nH+]1 ZINC000065356181 205338155 /nfs/dbraw/zinc/33/81/55/205338155.db2.gz XDUKBLJTRZKGPO-UHFFFAOYSA-N 0 2 361.423 2.204 10 0 FEAELN O=c1[nH]c(-c2ccc(Br)o2)ncc1I ZINC000097631136 543013905 /nfs/dbraw/zinc/01/39/05/543013905.db2.gz VGTQVIYWJFENHS-UHFFFAOYSA-N 0 2 366.940 2.397 10 0 FEAELN CCOCC[N@@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000116769250 543614905 /nfs/dbraw/zinc/61/49/05/543614905.db2.gz ZBIRJONUFVHEAE-WOJBJXKFSA-N 0 2 361.530 2.119 10 0 FEAELN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3c3cnn(C)c3)=N2)cc1 ZINC000181039702 327713586 /nfs/dbraw/zinc/71/35/86/327713586.db2.gz JFDAHHKLCGUHFF-INIZCTEOSA-N 0 2 367.409 2.297 10 0 FEAELN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)=N2)cc1 ZINC000181215933 327720908 /nfs/dbraw/zinc/72/09/08/327720908.db2.gz GEMLPDIZNXQIQW-VBKZILBWSA-N 0 2 371.437 2.354 10 0 FEAELN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC(NC(=O)C4CC4)C3)=N2)cc1 ZINC000189364706 328143361 /nfs/dbraw/zinc/14/33/61/328143361.db2.gz OKSSYGXJBTXDGU-UHFFFAOYSA-N 0 2 368.437 2.052 10 0 FEAELN C[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CCS1(=O)=O ZINC000192327244 328313644 /nfs/dbraw/zinc/31/36/44/328313644.db2.gz LMJOUXMGVBVDNS-MRVPVSSYSA-N 0 2 352.239 2.348 10 0 FEAELN Cc1nc(C[C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)CC3=O)C2)no1 ZINC000175997694 327426957 /nfs/dbraw/zinc/42/69/57/327426957.db2.gz NOUOAEUOOKQAIN-AWEZNQCLSA-N 0 2 367.409 2.364 10 0 FEAELN Cc1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000155332894 545513074 /nfs/dbraw/zinc/51/30/74/545513074.db2.gz YJRPPFSSWRWTCL-GFCCVEGCSA-N 0 2 370.796 2.403 10 0 FEAELN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cc(F)c(O)c(Cl)c1 ZINC000184416605 547824260 /nfs/dbraw/zinc/82/42/60/547824260.db2.gz WFTSOTXOWFRXDO-LLVKDONJSA-N 0 2 350.781 2.374 10 0 FEAELN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1COc2ccccc21 ZINC000185291446 547965631 /nfs/dbraw/zinc/96/56/31/547965631.db2.gz MSVTVZNLMMPWEF-OAHLLOKOSA-N 0 2 365.393 2.317 10 0 FEAELN C[C@H](C(=O)[O-])[N@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000263062318 549874867 /nfs/dbraw/zinc/87/48/67/549874867.db2.gz FQUKWTUBQNRDDN-LLVKDONJSA-N 0 2 374.359 2.138 10 0 FEAELN C[C@H](C(=O)[O-])[N@@H+](CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000263062318 549874868 /nfs/dbraw/zinc/87/48/68/549874868.db2.gz FQUKWTUBQNRDDN-LLVKDONJSA-N 0 2 374.359 2.138 10 0 FEAELN NS(=O)(=O)c1c(F)cc(Br)c(F)c1Br ZINC000307420252 553751860 /nfs/dbraw/zinc/75/18/60/553751860.db2.gz LOYVQYMRFUHRTR-UHFFFAOYSA-N 0 2 350.966 2.137 10 0 FEAELN CC[N@@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000126995420 672031000 /nfs/dbraw/zinc/03/10/00/672031000.db2.gz UZJIBLQAFPNHOI-CQSZACIVSA-N 0 2 372.874 2.222 10 0 FEAELN CC[N@H+]1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000126995420 672031003 /nfs/dbraw/zinc/03/10/03/672031003.db2.gz UZJIBLQAFPNHOI-CQSZACIVSA-N 0 2 372.874 2.222 10 0 FEAELN CC1(C)CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCS1 ZINC000630662260 676915168 /nfs/dbraw/zinc/91/51/68/676915168.db2.gz BPBZWHWYKDVPNB-JKSUJKDBSA-N 0 2 362.495 2.458 10 0 FEAELN CC1(C)CN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCS1 ZINC000630662260 676915170 /nfs/dbraw/zinc/91/51/70/676915170.db2.gz BPBZWHWYKDVPNB-JKSUJKDBSA-N 0 2 362.495 2.458 10 0 FEAELN Cc1c(O)c(C=O)c2c(c1O)C(=O)[C@@H](Cc1ccc3c(c1)OCO3)CO2 ZINC000014757603 291053683 /nfs/dbraw/zinc/05/36/83/291053683.db2.gz AQUXTCZWTTUERG-NSHDSACASA-N 0 2 356.330 2.381 10 0 biogenic,in-vitro FEAELN O=C(c1cc(F)c(O)c(Cl)c1)N1CCCN(c2cccnn2)CC1 ZINC000184419733 327866961 /nfs/dbraw/zinc/86/69/61/327866961.db2.gz YBBRDIMDFWQZSO-UHFFFAOYSA-N 0 2 350.781 2.327 10 0 FEAELN C[C@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2O)CCS(=O)(=O)C1 ZINC000191906030 328287854 /nfs/dbraw/zinc/28/78/54/328287854.db2.gz ZFURZGSLIPNUKV-QMMMGPOBSA-N 0 2 352.239 2.206 10 0 FEAELN O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cc(F)cc(Cl)c1O ZINC000152098243 326698667 /nfs/dbraw/zinc/69/86/67/326698667.db2.gz PLRVDRNBZKBSOD-NSHDSACASA-N 0 2 350.781 2.374 10 0 FEAELN CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3c(C)cccn23)nc[nH+]1 ZINC000174361066 546295524 /nfs/dbraw/zinc/29/55/24/546295524.db2.gz NXZQJKKZJUZZPA-HNNXBMFYSA-N 0 2 351.458 2.233 10 0 FEAELN C[C@H]1CCS(=O)(=O)CCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000191818441 548351939 /nfs/dbraw/zinc/35/19/39/548351939.db2.gz QJEQDBLQSFRMAF-QMMMGPOBSA-N 0 2 352.239 2.348 10 0 FEAELN Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271204 548607548 /nfs/dbraw/zinc/60/75/48/548607548.db2.gz RCCLTCMTJCUSTK-NRFANRHFSA-N 0 2 366.509 2.460 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000600983885 673816582 /nfs/dbraw/zinc/81/65/82/673816582.db2.gz MGNAKCZEEDMLSS-ULQDDVLXSA-N 0 2 362.495 2.458 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000600983885 673816583 /nfs/dbraw/zinc/81/65/83/673816583.db2.gz MGNAKCZEEDMLSS-ULQDDVLXSA-N 0 2 362.495 2.458 10 0 FEAELN C[C@]1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CC1(F)F ZINC000630648112 676913450 /nfs/dbraw/zinc/91/34/50/676913450.db2.gz CAQVKPMLAWMPCO-GRDNDAEWSA-N 0 2 352.381 2.266 10 0 FEAELN C[C@]1(CNC(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CC1(F)F ZINC000630648112 676913453 /nfs/dbraw/zinc/91/34/53/676913453.db2.gz CAQVKPMLAWMPCO-GRDNDAEWSA-N 0 2 352.381 2.266 10 0 FEAELN O=C([O-])[C@@H]1CC[C@H](C(=O)N(CC(F)F)C2CC2)[N@@H+]1Cc1ccccc1 ZINC000630660737 676914937 /nfs/dbraw/zinc/91/49/37/676914937.db2.gz XDMVEWFHCYEEAP-CABCVRRESA-N 0 2 352.381 2.360 10 0 FEAELN O=C([O-])[C@@H]1CC[C@H](C(=O)N(CC(F)F)C2CC2)[N@H+]1Cc1ccccc1 ZINC000630660737 676914939 /nfs/dbraw/zinc/91/49/39/676914939.db2.gz XDMVEWFHCYEEAP-CABCVRRESA-N 0 2 352.381 2.360 10 0 FEAELN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C[C@@H](C)S1 ZINC000630672564 676915998 /nfs/dbraw/zinc/91/59/98/676915998.db2.gz MPSDQTZQGSPVGV-JHNDHUHGSA-N 0 2 362.495 2.457 10 0 FEAELN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C[C@@H](C)S1 ZINC000630672564 676916000 /nfs/dbraw/zinc/91/60/00/676916000.db2.gz MPSDQTZQGSPVGV-JHNDHUHGSA-N 0 2 362.495 2.457 10 0 FEAELN CC[N@H+](CCCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O)c1ccccc1 ZINC000070460608 541734967 /nfs/dbraw/zinc/73/49/67/541734967.db2.gz PVWKGLQJNFXIMS-UHFFFAOYSA-N 0 2 367.405 2.305 10 0 FEAELN CC[N@@H+](CCCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O)c1ccccc1 ZINC000070460608 541734970 /nfs/dbraw/zinc/73/49/70/541734970.db2.gz PVWKGLQJNFXIMS-UHFFFAOYSA-N 0 2 367.405 2.305 10 0 FEAELN CCOc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106124068 543203599 /nfs/dbraw/zinc/20/35/99/543203599.db2.gz SYDICDAOMFEMRN-HXUWFJFHSA-N 0 2 361.530 2.312 10 0 FEAELN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@H](c3nccs3)C1)c2=O ZINC000111620678 543409786 /nfs/dbraw/zinc/40/97/86/543409786.db2.gz DDYFHCNOILJBOZ-ZDUSSCGKSA-N 0 2 356.407 2.314 10 0 FEAELN N#Cc1ccc(O)c(I)c1I ZINC000140063962 544406552 /nfs/dbraw/zinc/40/65/52/544406552.db2.gz PQXZBJZOQDEDHT-UHFFFAOYSA-N 0 2 370.915 2.473 10 0 FEAELN Cc1nc(C[C@H]2CCCN(C(=O)c3c[nH]c4nc(C)ccc4c3=O)C2)no1 ZINC000171485756 327142265 /nfs/dbraw/zinc/14/22/65/327142265.db2.gz QQNLOZSLLIGLGH-CYBMUJFWSA-N 0 2 367.409 2.430 10 0 FEAELN CCOCC[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1CC ZINC000246901001 549238888 /nfs/dbraw/zinc/23/88/88/549238888.db2.gz AIIKLLFZBCSNKX-IAGOWNOFSA-N 0 2 366.506 2.025 10 0 FEAELN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262655089 549835584 /nfs/dbraw/zinc/83/55/84/549835584.db2.gz MFMLIGSIESVHSF-OAHLLOKOSA-N 0 2 356.422 2.287 10 0 FEAELN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCc1ccc(COc2ccccc2)cc1 ZINC000262655089 549835585 /nfs/dbraw/zinc/83/55/85/549835585.db2.gz MFMLIGSIESVHSF-OAHLLOKOSA-N 0 2 356.422 2.287 10 0 FEAELN O=C([O-])[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C(F)(F)F ZINC000263081308 549876406 /nfs/dbraw/zinc/87/64/06/549876406.db2.gz XOGWRANIOUZTOZ-BREBYQMCSA-N 0 2 360.307 2.126 10 0 FEAELN O=C([O-])[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3F)C2=O)C[C@H]1C(F)(F)F ZINC000263081308 549876410 /nfs/dbraw/zinc/87/64/10/549876410.db2.gz XOGWRANIOUZTOZ-BREBYQMCSA-N 0 2 360.307 2.126 10 0 FEAELN C[C@@H]1SCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)[C@H]1C ZINC000630657879 676914425 /nfs/dbraw/zinc/91/44/25/676914425.db2.gz ALRUTLIILPEWNF-NXNVCVFFSA-N 0 2 362.495 2.457 10 0 FEAELN C[C@@H]1SCCN(C(=O)[C@@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)[C@H]1C ZINC000630657879 676914426 /nfs/dbraw/zinc/91/44/26/676914426.db2.gz ALRUTLIILPEWNF-NXNVCVFFSA-N 0 2 362.495 2.457 10 0 FEAELN C[C@@H]1CCSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630668935 676915650 /nfs/dbraw/zinc/91/56/50/676915650.db2.gz UATLOTYWLVRINR-OIISXLGYSA-N 0 2 362.495 2.458 10 0 FEAELN C[C@@H]1CCSCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630668935 676915652 /nfs/dbraw/zinc/91/56/52/676915652.db2.gz UATLOTYWLVRINR-OIISXLGYSA-N 0 2 362.495 2.458 10 0 FEAELN O=C([O-])C1=C(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CCCC1 ZINC000039982179 205047785 /nfs/dbraw/zinc/04/77/85/205047785.db2.gz DFULJPCRTIMCDH-UHFFFAOYSA-N 0 2 372.421 2.015 10 0 FEAELN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000128556522 544059750 /nfs/dbraw/zinc/05/97/50/544059750.db2.gz CFBOTZJHJRABPE-HTQZYQBOSA-N 0 2 352.239 2.347 10 0 FEAELN O=C(NC1CN(C(=O)c2cc(Br)cc(Cl)c2O)C1)C1CC1 ZINC000189054437 328126006 /nfs/dbraw/zinc/12/60/06/328126006.db2.gz FAGYSGWWYIVDMF-UHFFFAOYSA-N 0 2 373.634 2.159 10 0 FEAELN CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000192677910 328332588 /nfs/dbraw/zinc/33/25/88/328332588.db2.gz BVXLDFYMBTWFDV-SKDRFNHKSA-N 0 2 355.753 2.478 10 0 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C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1)c1cscn1 ZINC000630654196 676913894 /nfs/dbraw/zinc/91/38/94/676913894.db2.gz WPANOSUXKNYMAD-APHBMKBZSA-N 0 2 359.451 2.438 10 0 FEAELN C[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1)c1cscn1 ZINC000630654196 676913896 /nfs/dbraw/zinc/91/38/96/676913896.db2.gz WPANOSUXKNYMAD-APHBMKBZSA-N 0 2 359.451 2.438 10 0 FEAELN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)no1 ZINC000027933470 539820844 /nfs/dbraw/zinc/82/08/44/539820844.db2.gz YVMZGUNHGKNXMR-UHFFFAOYSA-N 0 2 358.379 2.431 10 0 FEAELN Cn1cc(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)cn1 ZINC000061881803 221135063 /nfs/dbraw/zinc/13/50/63/221135063.db2.gz NRMNQFFJRFZGCC-UHFFFAOYSA-N 0 2 365.640 2.219 10 0 FEAELN O=C(CN1CCCC[C@@H]1c1nnc2n1CCCC2)NOCc1ccccc1 ZINC000093169924 542914466 /nfs/dbraw/zinc/91/44/66/542914466.db2.gz LIXUSNAIYPKBRY-QGZVFWFLSA-N 0 2 369.469 2.389 10 0 FEAELN O=C(C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)[N-]OCc1ccccc1 ZINC000093169924 542914470 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545523918 /nfs/dbraw/zinc/52/39/18/545523918.db2.gz WBKFOLQCICECRO-HNNXBMFYSA-N 0 2 372.469 2.152 10 0 FEAELN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)=N2)cc1 ZINC000181215951 547272065 /nfs/dbraw/zinc/27/20/65/547272065.db2.gz GEMLPDIZNXQIQW-XOBRGWDASA-N 0 2 371.437 2.354 10 0 FEAELN Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080612 /nfs/dbraw/zinc/08/06/12/549080612.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 0 2 361.555 2.467 10 0 FEAELN CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000263431474 549901125 /nfs/dbraw/zinc/90/11/25/549901125.db2.gz NNNKUQUUTHHFNP-OAHLLOKOSA-N 0 2 355.394 2.139 10 0 FEAELN C[C@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CCS1(=O)=O ZINC000192327250 328313657 /nfs/dbraw/zinc/31/36/57/328313657.db2.gz LMJOUXMGVBVDNS-QMMMGPOBSA-N 0 2 352.239 2.348 10 0 FEAELN C[C@H]1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C[C@@H]1N1CCOCC1 ZINC000175258401 327382907 /nfs/dbraw/zinc/38/29/07/327382907.db2.gz HOTPKRGTVICSML-GWCFXTLKSA-N 0 2 359.253 2.492 10 0 FEAELN Cn1cc([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cn1 ZINC000176288970 327446304 /nfs/dbraw/zinc/44/63/04/327446304.db2.gz HUQRAAYBACUREB-OAHLLOKOSA-N 0 2 355.373 2.428 10 0 FEAELN Cc1nc(CN2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)no1 ZINC000178339361 327579203 /nfs/dbraw/zinc/57/92/03/327579203.db2.gz HWAUQUYIMLUWGQ-UHFFFAOYSA-N 0 2 368.796 2.224 10 0 FEAELN Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)cn2c1 ZINC000263056492 328911867 /nfs/dbraw/zinc/91/18/67/328911867.db2.gz RPCWYXQRHJAQLC-VXGBXAGGSA-N 0 2 370.331 2.047 10 0 FEAELN CCn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C1CCOCC1 ZINC000263446497 328940207 /nfs/dbraw/zinc/94/02/07/328940207.db2.gz RBZBVQQSRJAVEE-INIZCTEOSA-N 0 2 357.410 2.499 10 0 FEAELN Cc1cn2cc(NC(=O)N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)ccc2[nH+]1 ZINC000263496649 328943934 /nfs/dbraw/zinc/94/39/34/328943934.db2.gz RBHWWEMOGUBENH-GHMZBOCLSA-N 0 2 356.304 2.370 10 0 FEAELN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H]3CCc4ncnn4C3)=N2)c1 ZINC000176294466 546428527 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FEAELN CS(=O)(=O)CC1(CNC(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000177230106 546576017 /nfs/dbraw/zinc/57/60/17/546576017.db2.gz ZQRHVLNRXAYYCX-UHFFFAOYSA-N 0 2 352.239 2.254 10 0 FEAELN C[C@@H](CN(C)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(=O)[O-] ZINC000263399538 549899382 /nfs/dbraw/zinc/89/93/82/549899382.db2.gz RUTYZNGYJNGCOA-NSHDSACASA-N 0 2 350.806 2.388 10 0 FEAELN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)C[C@H](C)S1 ZINC000630672561 676915967 /nfs/dbraw/zinc/91/59/67/676915967.db2.gz MPSDQTZQGSPVGV-FSDCSDTHSA-N 0 2 362.495 2.457 10 0 FEAELN C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)[O-])[N@H+]2Cc2ccccc2)C[C@H](C)S1 ZINC000630672561 676915969 /nfs/dbraw/zinc/91/59/69/676915969.db2.gz MPSDQTZQGSPVGV-FSDCSDTHSA-N 0 2 362.495 2.457 10 0 FEAELN COc1ccc(C)cc1Nc1nc[nH+]c(N2CCC(C(=O)[O-])CC2)c1N ZINC000040684534 132948444 /nfs/dbraw/zinc/94/84/44/132948444.db2.gz QRHHREBEHIFIDI-UHFFFAOYSA-N 0 2 357.414 2.420 10 0 FEAELN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc(Cl)c(Cl)c1O ZINC000128556292 544059888 /nfs/dbraw/zinc/05/98/88/544059888.db2.gz CFBOTZJHJRABPE-YUMQZZPRSA-N 0 2 352.239 2.347 10 0 FEAELN CN1C(=O)C[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000121376061 326333564 /nfs/dbraw/zinc/33/35/64/326333564.db2.gz MFCFOVWGSGRDPP-CXAGYDPISA-N 0 2 353.357 2.255 10 0 FEAELN CC(C)CC(=O)N[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)C(C)C ZINC000170747635 327096847 /nfs/dbraw/zinc/09/68/47/327096847.db2.gz BBWWJFPPGYJWQN-OAHLLOKOSA-N 0 2 360.414 2.155 10 0 FEAELN O=C(N[C@H]1CCc2ncnn2C1)c1cc(Cl)cc(Br)c1O ZINC000176294410 327446503 /nfs/dbraw/zinc/44/65/03/327446503.db2.gz TZVCPHJJLNQZMD-QMMMGPOBSA-N 0 2 371.622 2.144 10 0 FEAELN CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262162868 328847035 /nfs/dbraw/zinc/84/70/35/328847035.db2.gz OFKDWZCXNGNHQG-HNNXBMFYSA-N 0 2 359.426 2.462 10 0 FEAELN COc1ccc(N2CC(=O)C(C(=O)N3CCC(c4cc[nH]n4)CC3)=N2)cc1 ZINC000181107031 547250997 /nfs/dbraw/zinc/25/09/97/547250997.db2.gz QSCZMRZVNABAEK-UHFFFAOYSA-N 0 2 367.409 2.329 10 0 FEAELN COc1ccc(C)cc1S(=O)(=O)Nc1c(C)nc(N(C)C)nc1C ZINC000224296002 548727404 /nfs/dbraw/zinc/72/74/04/548727404.db2.gz MNTSTUYADYKNID-UHFFFAOYSA-N 0 2 350.444 2.277 10 0 FEAELN C[C@H](C(=O)[O-])[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000263183038 549883995 /nfs/dbraw/zinc/88/39/95/549883995.db2.gz UMJLMPIZZMUGCC-LLVKDONJSA-N 0 2 356.369 2.184 10 0 FEAELN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000263183038 549883996 /nfs/dbraw/zinc/88/39/96/549883996.db2.gz UMJLMPIZZMUGCC-LLVKDONJSA-N 0 2 356.369 2.184 10 0 FEAELN C[C@@H]1CCCN(c2cc(N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)[nH+]cn2)C1 ZINC000263567286 549909580 /nfs/dbraw/zinc/90/95/80/549909580.db2.gz XJDXYVNVBWSORI-IJLUTSLNSA-N 0 2 358.364 2.412 10 0 FEAELN C[C@@H]1CCCN(c2cc(N3C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C3)nc[nH+]2)C1 ZINC000263567286 549909581 /nfs/dbraw/zinc/90/95/81/549909581.db2.gz XJDXYVNVBWSORI-IJLUTSLNSA-N 0 2 358.364 2.412 10 0 FEAELN O=C([O-])[C@H]1CC[C@@H](C(=O)N(CC(F)F)C2CC2)[N@@H+]1Cc1ccccc1 ZINC000630660740 676914761 /nfs/dbraw/zinc/91/47/61/676914761.db2.gz XDMVEWFHCYEEAP-LSDHHAIUSA-N 0 2 352.381 2.360 10 0 FEAELN O=C([O-])[C@H]1CC[C@@H](C(=O)N(CC(F)F)C2CC2)[N@H+]1Cc1ccccc1 ZINC000630660740 676914764 /nfs/dbraw/zinc/91/47/64/676914764.db2.gz XDMVEWFHCYEEAP-LSDHHAIUSA-N 0 2 352.381 2.360 10 0 FEAELN CCCOc1ccc(Cc2c(O)nc(N3CCOCC3)[nH]c2=O)cc1C ZINC000027579394 539811336 /nfs/dbraw/zinc/81/13/36/539811336.db2.gz WONDAOSUZFPTBO-UHFFFAOYSA-N 0 2 359.426 2.000 10 0 FEAELN O=S(=O)(Nc1ncc(Br)s1)c1cnc(Cl)nc1 ZINC000037436484 208180368 /nfs/dbraw/zinc/18/03/68/208180368.db2.gz ZLHPCTDQKSZHFG-UHFFFAOYSA-N 0 2 355.626 2.150 10 0 FEAELN CNC(=O)[C@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)C(C)C ZINC000179127598 327627181 /nfs/dbraw/zinc/62/71/81/327627181.db2.gz XIGYGHHMAUJPFS-MRXNPFEDSA-N 0 2 358.442 2.202 10 0 FEAELN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC(NC(=O)C4CC4)C3)=N2)c1 ZINC000189053604 328125952 /nfs/dbraw/zinc/12/59/52/328125952.db2.gz BLMZPHXWUHUQNQ-UHFFFAOYSA-N 0 2 368.437 2.052 10 0 FEAELN C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189887387 328173875 /nfs/dbraw/zinc/17/38/75/328173875.db2.gz AZEDCIWIQGWNHK-CQSZACIVSA-N 0 2 367.409 2.142 10 0 FEAELN CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])C1(C)C ZINC000193043711 328354034 /nfs/dbraw/zinc/35/40/34/328354034.db2.gz NLMXJIUYBXPADM-HNAYVOBHSA-N 0 2 357.410 2.261 10 0 FEAELN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000178077544 327563872 /nfs/dbraw/zinc/56/38/72/327563872.db2.gz HJQXGZSJUYXENB-CABZTGNLSA-N 0 2 352.441 2.474 10 0 FEAELN Cn1cc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cn1 ZINC000176288956 546427418 /nfs/dbraw/zinc/42/74/18/546427418.db2.gz HUQRAAYBACUREB-HNNXBMFYSA-N 0 2 355.373 2.428 10 0 FEAELN O=C(c1ccc(Cl)c(Cl)c1O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000179541696 546974226 /nfs/dbraw/zinc/97/42/26/546974226.db2.gz UDOXZAJLFOQUPG-VIFPVBQESA-N 0 2 364.250 2.491 10 0 FEAELN [NH3+]Cc1nc(CN2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000261893508 549766692 /nfs/dbraw/zinc/76/66/92/549766692.db2.gz AOTLRJLQZDWQHZ-UHFFFAOYSA-N 0 2 369.391 2.255 10 0 FEAELN Cc1nc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)sc1C ZINC000262905108 549861065 /nfs/dbraw/zinc/86/10/65/549861065.db2.gz FANHRFRIQNWTMR-FXBDTBDDSA-N 0 2 365.377 2.282 10 0 FEAELN Cc1nc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)sc1C ZINC000262905108 549861068 /nfs/dbraw/zinc/86/10/68/549861068.db2.gz FANHRFRIQNWTMR-FXBDTBDDSA-N 0 2 365.377 2.282 10 0 FEAELN C[C@@H](C(=O)[O-])[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000263070662 549875386 /nfs/dbraw/zinc/87/53/86/549875386.db2.gz GRKYDALMELOTNI-VIFPVBQESA-N 0 2 362.323 2.398 10 0 FEAELN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000263070662 549875387 /nfs/dbraw/zinc/87/53/87/549875387.db2.gz GRKYDALMELOTNI-VIFPVBQESA-N 0 2 362.323 2.398 10 0 FEAELN COc1cc(NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c(OC)cc1Cl ZINC000263119431 549879277 /nfs/dbraw/zinc/87/92/77/549879277.db2.gz LUJKVADMUKMKMD-VIFPVBQESA-N 0 2 356.806 2.233 10 0 FEAELN COc1cc(NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c(OC)cc1Cl ZINC000263119431 549879281 /nfs/dbraw/zinc/87/92/81/549879281.db2.gz LUJKVADMUKMKMD-VIFPVBQESA-N 0 2 356.806 2.233 10 0 FEAELN NS(=O)(=O)c1c(F)c(Br)cc(F)c1Br ZINC000306644084 553751536 /nfs/dbraw/zinc/75/15/36/553751536.db2.gz YMBATUWBMKKGSY-UHFFFAOYSA-N 0 2 350.966 2.137 10 0 FEAELN O=S(=O)(/C=C/c1ccccc1)Nc1nc(CN2CCOCC2)cs1 ZINC000066248685 670439118 /nfs/dbraw/zinc/43/91/18/670439118.db2.gz TVSTXSWIGANLJS-IZZDOVSWSA-N 0 2 365.480 2.388 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000600983881 673816498 /nfs/dbraw/zinc/81/64/98/673816498.db2.gz MGNAKCZEEDMLSS-BBWFWOEESA-N 0 2 362.495 2.458 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000600983881 673816500 /nfs/dbraw/zinc/81/65/00/673816500.db2.gz MGNAKCZEEDMLSS-BBWFWOEESA-N 0 2 362.495 2.458 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000600983882 673816787 /nfs/dbraw/zinc/81/67/87/673816787.db2.gz MGNAKCZEEDMLSS-GVDBMIGSSA-N 0 2 362.495 2.458 10 0 FEAELN CSC[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000600983882 673816791 /nfs/dbraw/zinc/81/67/91/673816791.db2.gz MGNAKCZEEDMLSS-GVDBMIGSSA-N 0 2 362.495 2.458 10 0 FEAELN CC(C)c1ccc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3nccn3C)CC2)cc1 ZINC000095365705 209031521 /nfs/dbraw/zinc/03/15/21/209031521.db2.gz UVXBNTSRZKEGRR-IBGZPJMESA-N 0 2 356.470 2.487 10 0 FEAELN CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)(C(=O)[O-])C1(C)C ZINC000193043706 328353894 /nfs/dbraw/zinc/35/38/94/328353894.db2.gz NLMXJIUYBXPADM-DNVCBOLYSA-N 0 2 357.410 2.261 10 0 FEAELN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151009944 326672857 /nfs/dbraw/zinc/67/28/57/326672857.db2.gz LMZUZSXVCMFTDJ-BFUOFWGJSA-N 0 2 359.401 2.484 10 0 FEAELN Cc1nnc([C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3O)CCO2)[nH]1 ZINC000173755710 327281583 /nfs/dbraw/zinc/28/15/83/327281583.db2.gz VYDSFPOBDLZNIQ-SNVBAGLBSA-N 0 2 357.197 2.339 10 0 FEAELN CCCC(=O)N[C@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000176285462 327445995 /nfs/dbraw/zinc/44/59/95/327445995.db2.gz DOZILDSIVCNCJN-AWEZNQCLSA-N 0 2 374.416 2.238 10 0 FEAELN C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccc(F)cc1 ZINC000264703461 329050827 /nfs/dbraw/zinc/05/08/27/329050827.db2.gz QTOZSUQQDQYRAG-IRXDYDNUSA-N 0 2 359.449 2.292 10 0 FEAELN Cc1cc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000155332981 545512795 /nfs/dbraw/zinc/51/27/95/545512795.db2.gz YJRPPFSSWRWTCL-LBPRGKRZSA-N 0 2 370.796 2.403 10 0 FEAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000262789630 549849786 /nfs/dbraw/zinc/84/97/86/549849786.db2.gz AAJIGMOSBRNSEH-SFHVURJKSA-N 0 2 366.421 2.478 10 0 FEAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@H+](CCCOc1ccc3ccccc3c1)C2 ZINC000262789630 549849788 /nfs/dbraw/zinc/84/97/88/549849788.db2.gz AAJIGMOSBRNSEH-SFHVURJKSA-N 0 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327303724 /nfs/dbraw/zinc/30/37/24/327303724.db2.gz RPYGTFYZKGYYAN-UHFFFAOYSA-N 0 2 351.410 2.327 10 0 FEAELN Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266639 548608275 /nfs/dbraw/zinc/60/82/75/548608275.db2.gz HVHQIOMOZXFCDR-HOTGVXAUSA-N 0 2 352.548 2.366 10 0 FEAELN CCOC(=O)c1cncc(NS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000220888182 548702617 /nfs/dbraw/zinc/70/26/17/548702617.db2.gz ALVCQBUKSLEWKM-UHFFFAOYSA-N 0 2 366.395 2.076 10 0 FEAELN C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000261900586 549768014 /nfs/dbraw/zinc/76/80/14/549768014.db2.gz HQSYQRNQFCIXPB-FDMITFGQSA-N 0 2 360.502 2.264 10 0 FEAELN C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262941324 549864969 /nfs/dbraw/zinc/86/49/69/549864969.db2.gz IUXZDVZKCVZCDF-SZEHBUNVSA-N 0 2 366.286 2.487 10 0 FEAELN C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262941324 549864972 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C[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc(Cl)s1 ZINC000052639888 540479323 /nfs/dbraw/zinc/47/93/23/540479323.db2.gz RBPWSVFRWSCLJE-ZCFIWIBFSA-N 0 2 350.787 2.230 10 0 FEAELN Cc1nc(C)n(C[C@H]2CCCN(C(=O)c3cc(F)c(O)c(F)c3)C2)n1 ZINC000186816100 327984736 /nfs/dbraw/zinc/98/47/36/327984736.db2.gz NVQRJKCZMHXUKU-LBPRGKRZSA-N 0 2 350.369 2.431 10 0 FEAELN CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000186847020 327986046 /nfs/dbraw/zinc/98/60/46/327986046.db2.gz GOYBJYYUFUYCKR-AWEZNQCLSA-N 0 2 351.349 2.320 10 0 FEAELN COC(=O)[C@@H]1CCCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000193999696 328405915 /nfs/dbraw/zinc/40/59/15/328405915.db2.gz VVERQVLATFMZFO-LLVKDONJSA-N 0 2 363.801 2.257 10 0 FEAELN C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159571 327184777 /nfs/dbraw/zinc/18/47/77/327184777.db2.gz VTVYCDVCGPPYEP-CZUORRHYSA-N 0 2 352.429 2.057 10 0 FEAELN Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642405 549474928 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CC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@@H+]2Cc2ccccc2)CCS1 ZINC000630668867 676915658 /nfs/dbraw/zinc/91/56/58/676915658.db2.gz YLRCSQJSCWKKDN-BRWVUGGUSA-N 0 2 362.495 2.458 10 0 FEAELN CC[C@@H]1CN(C(=O)[C@H]2CC[C@H](C(=O)[O-])[N@H+]2Cc2ccccc2)CCS1 ZINC000630668867 676915660 /nfs/dbraw/zinc/91/56/60/676915660.db2.gz YLRCSQJSCWKKDN-BRWVUGGUSA-N 0 2 362.495 2.458 10 0 FEAELN O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1c1ncnc2sc3c(c21)CCCC3 ZINC000095528384 132215054 /nfs/dbraw/zinc/21/50/54/132215054.db2.gz QGPNYVIYBWOYHI-LBPRGKRZSA-N 0 2 355.423 2.309 10 0 FEAELN O=C([O-])[C@@H]1Cc2[nH+]c[nH]c2CN1c1ncnc2sc3c(c21)CCCC3 ZINC000095528384 132215056 /nfs/dbraw/zinc/21/50/56/132215056.db2.gz QGPNYVIYBWOYHI-LBPRGKRZSA-N 0 2 355.423 2.309 10 0 FEAELN O=C1NCc2cc(I)c(O)c(Br)c21 ZINC000089211454 542758492 /nfs/dbraw/zinc/75/84/92/542758492.db2.gz FKNRHCMHBBWYJL-UHFFFAOYSA-N 0 2 353.941 2.003 10 0 FEAELN Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2c(F)c1N1CCSCC1 ZINC000029412557 132377928 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