smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2c[nH]c3ccccc23)NC=O)CC[NH2+]CC1 ZINC000013493970 561716685 /nfs/dbraw/zinc/71/66/85/561716685.db2.gz PFJXRSKIAGAAGG-JWQCQUIFSA-N 2 2 515.618 1.188 1 0 KDAFLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[C@H]2CN(c3nc4nc(-c5ccco5)nn4c(N)n3)CC[N@H+]2C1 ZINC000013585867 561720413 /nfs/dbraw/zinc/72/04/13/561720413.db2.gz VLARWIPUMWYZST-CVEARBPZSA-N 2 2 512.022 1.747 1 0 KDAFLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CC[C@H]2CN(c3nc4nc(-c5ccco5)nn4c(N)n3)CC[N@@H+]2C1 ZINC000013585867 561720411 /nfs/dbraw/zinc/72/04/11/561720411.db2.gz VLARWIPUMWYZST-CVEARBPZSA-N 2 2 512.022 1.747 1 0 KDAFLP NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000013765414 561728404 /nfs/dbraw/zinc/72/84/04/561728404.db2.gz SVQXGJDWUSQUPO-XMMPIXPASA-N 2 2 509.632 1.150 1 0 KDAFLP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000013765416 561728419 /nfs/dbraw/zinc/72/84/19/561728419.db2.gz SVQXGJDWUSQUPO-DEOSSOPVSA-N 2 2 509.632 1.150 1 0 KDAFLP [NH3+]CCNC(=O)c1ccc(C[NH+]2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 ZINC000022940154 561760834 /nfs/dbraw/zinc/76/08/34/561760834.db2.gz BMFWWGQJIXNFNW-UHFFFAOYSA-N 2 2 513.602 1.818 1 0 KDAFLP CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000026258068 561775062 /nfs/dbraw/zinc/77/50/62/561775062.db2.gz SMADVSFCWKOSPV-SSUZURRFSA-N 2 2 551.688 1.387 1 0 KDAFLP CC[C@@H](C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1=O ZINC000026262540 561775746 /nfs/dbraw/zinc/77/57/46/561775746.db2.gz RUGISWDTRCEARY-MJGRMWDMSA-N 2 2 551.688 1.387 1 0 KDAFLP CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC[NH2+]CC1 ZINC000026381758 561783436 /nfs/dbraw/zinc/78/34/36/561783436.db2.gz SFHASZWKUUAYBP-STVCLKQXSA-N 2 2 639.842 1.886 1 0 KDAFLP CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC[NH2+]CC1 ZINC000026381758 561783434 /nfs/dbraw/zinc/78/34/34/561783434.db2.gz SFHASZWKUUAYBP-STVCLKQXSA-N 2 2 639.842 1.886 1 0 KDAFLP COC(=O)[C@@H](CC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH2+]C[C@H](C)[NH3+])C(C)C)C(C)C ZINC000026389054 561785325 /nfs/dbraw/zinc/78/53/25/561785325.db2.gz LUSRQWCJRNORIW-GHXSILMLSA-N 2 2 562.752 1.726 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000026398600 561787793 /nfs/dbraw/zinc/78/77/93/561787793.db2.gz UBSOHDSAEHUAAU-IMCABRTFSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000026398600 561787791 /nfs/dbraw/zinc/78/77/91/561787791.db2.gz UBSOHDSAEHUAAU-IMCABRTFSA-N 2 2 684.883 1.087 1 0 KDAFLP C[NH2+]CCCCC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1 ZINC000026403060 561788863 /nfs/dbraw/zinc/78/88/63/561788863.db2.gz FPCWIZSRYXQTTQ-PXQDMKDRSA-N 2 2 587.762 2.000 1 0 KDAFLP C[NH2+]CCCCC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1 ZINC000026403060 561788862 /nfs/dbraw/zinc/78/88/62/561788862.db2.gz FPCWIZSRYXQTTQ-PXQDMKDRSA-N 2 2 587.762 2.000 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752167 561819908 /nfs/dbraw/zinc/81/99/08/561819908.db2.gz LDLKDIAFJQWVNM-ACQYNFKHSA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752167 561819906 /nfs/dbraw/zinc/81/99/06/561819906.db2.gz LDLKDIAFJQWVNM-ACQYNFKHSA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752172 561820040 /nfs/dbraw/zinc/82/00/40/561820040.db2.gz LDLKDIAFJQWVNM-FSJACQRISA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752172 561820038 /nfs/dbraw/zinc/82/00/38/561820038.db2.gz LDLKDIAFJQWVNM-FSJACQRISA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752178 561819925 /nfs/dbraw/zinc/81/99/25/561819925.db2.gz LDLKDIAFJQWVNM-KLGVQLDVSA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752178 561819923 /nfs/dbraw/zinc/81/99/23/561819923.db2.gz LDLKDIAFJQWVNM-KLGVQLDVSA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752184 561820018 /nfs/dbraw/zinc/82/00/18/561820018.db2.gz LDLKDIAFJQWVNM-YTTLQHOZSA-N 2 2 718.900 1.033 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000026752184 561820016 /nfs/dbraw/zinc/82/00/16/561820016.db2.gz LDLKDIAFJQWVNM-YTTLQHOZSA-N 2 2 718.900 1.033 1 0 KDAFLP Cn1c2ccccc2c2nc3c(nc21)N(C)C(=O)N1[C@H]3OC[C@H](CN2CC[NH+](C)CC2)O[C@@H]1CN1CC[NH+](C)CC1 ZINC000026829402 561822632 /nfs/dbraw/zinc/82/26/32/561822632.db2.gz LVVIDPGBFNDMAW-PYHHMDQSSA-N 2 2 563.707 1.228 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NCCNC(=O)[C@@H]2[NH2+][C@@H](CNC(=O)Cc3ccccc3)SC2(C)C)C(C)(C)S1 ZINC000026841952 561825901 /nfs/dbraw/zinc/82/59/01/561825901.db2.gz NRHQSCBNXQVHDR-HPLNQGHOSA-N 2 2 711.955 1.061 1 0 KDAFLP CC1(C)S[C@H](CNC(=O)Cc2ccccc2)[NH2+][C@H]1C(=O)NCCNC(=O)[C@@H]1[NH2+][C@@H](CNC(=O)Cc2ccccc2)SC1(C)C ZINC000026841958 561826003 /nfs/dbraw/zinc/82/60/03/561826003.db2.gz WEWOEWMQDXTZHN-VIJSPRBVSA-N 2 2 640.876 1.556 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952460 561828932 /nfs/dbraw/zinc/82/89/32/561828932.db2.gz CDSSCUZXBPIMBD-HBMCJLEFSA-N 2 2 525.679 1.382 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2C[N@H+](CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952460 561828930 /nfs/dbraw/zinc/82/89/30/561828930.db2.gz CDSSCUZXBPIMBD-HBMCJLEFSA-N 2 2 525.679 1.382 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2C[N@@H+](CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952472 561828968 /nfs/dbraw/zinc/82/89/68/561828968.db2.gz CDSSCUZXBPIMBD-ACRUOGEOSA-N 2 2 525.679 1.382 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2C[N@H+](CCCc3ccccc3)CC(=O)N21)C(=O)c1nccs1 ZINC000026952472 561828967 /nfs/dbraw/zinc/82/89/67/561828967.db2.gz CDSSCUZXBPIMBD-ACRUOGEOSA-N 2 2 525.679 1.382 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCc1c[nH+]c(C)nc1N ZINC000026985902 561831889 /nfs/dbraw/zinc/83/18/89/561831889.db2.gz OJUXFOTVKMYAOQ-MMTDUKOKSA-N 2 2 666.868 1.797 1 0 KDAFLP C[NH+]1CCN(CC(=O)Nc2nc3cc4nc(NC(=O)CN5CC[NH+](C)CC5)sc4cc3s2)CC1 ZINC000027182293 561842017 /nfs/dbraw/zinc/84/20/17/561842017.db2.gz YIMJOHYZNPBDFL-UHFFFAOYSA-N 2 2 502.670 1.278 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C[C@@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027193005 561843879 /nfs/dbraw/zinc/84/38/79/561843879.db2.gz SRLQMLZZYWJJOR-XUQMDECTSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@H+](C[C@@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027193005 561843878 /nfs/dbraw/zinc/84/38/78/561843878.db2.gz SRLQMLZZYWJJOR-XUQMDECTSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C[C@@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027193011 561843874 /nfs/dbraw/zinc/84/38/74/561843874.db2.gz SRLQMLZZYWJJOR-UNVCINIWSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@H+](C[C@@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027193011 561843873 /nfs/dbraw/zinc/84/38/73/561843873.db2.gz SRLQMLZZYWJJOR-UNVCINIWSA-N 2 2 710.942 1.711 1 0 KDAFLP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027196658 561844458 /nfs/dbraw/zinc/84/44/58/561844458.db2.gz JJAYONCXRDEGFA-PSWJWLENSA-N 3 2 739.922 1.566 1 0 KDAFLP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027196658 561844456 /nfs/dbraw/zinc/84/44/56/561844456.db2.gz JJAYONCXRDEGFA-PSWJWLENSA-N 3 2 739.922 1.566 1 0 KDAFLP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027197906 561844648 /nfs/dbraw/zinc/84/46/48/561844648.db2.gz QYLXULCMJGFMGL-UYEZAFAQSA-N 3 2 725.895 1.224 1 0 KDAFLP CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(C)(C)[NH3+])[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000027197906 561844646 /nfs/dbraw/zinc/84/46/46/561844646.db2.gz QYLXULCMJGFMGL-UYEZAFAQSA-N 3 2 725.895 1.224 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199308 561844768 /nfs/dbraw/zinc/84/47/68/561844768.db2.gz ZQBPDINJRGRTDJ-APIDWYLMSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199308 561844766 /nfs/dbraw/zinc/84/47/66/561844766.db2.gz ZQBPDINJRGRTDJ-APIDWYLMSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199314 561844802 /nfs/dbraw/zinc/84/48/02/561844802.db2.gz ZQBPDINJRGRTDJ-AZUPLVCYSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199314 561844801 /nfs/dbraw/zinc/84/48/01/561844801.db2.gz ZQBPDINJRGRTDJ-AZUPLVCYSA-N 2 2 666.889 1.696 1 0 KDAFLP COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199732 561844879 /nfs/dbraw/zinc/84/48/79/561844879.db2.gz IDYCGGAEUOLTTN-WBHRADKISA-N 2 2 659.894 1.969 1 0 KDAFLP COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199732 561844878 /nfs/dbraw/zinc/84/48/78/561844878.db2.gz IDYCGGAEUOLTTN-WBHRADKISA-N 2 2 659.894 1.969 1 0 KDAFLP COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199739 561844884 /nfs/dbraw/zinc/84/48/84/561844884.db2.gz IDYCGGAEUOLTTN-DPXUFRLUSA-N 2 2 659.894 1.969 1 0 KDAFLP COC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027199739 561844883 /nfs/dbraw/zinc/84/48/83/561844883.db2.gz IDYCGGAEUOLTTN-DPXUFRLUSA-N 2 2 659.894 1.969 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200658 561845086 /nfs/dbraw/zinc/84/50/86/561845086.db2.gz UOMNATPTVGYJEJ-LUDYKOSASA-N 2 2 644.883 1.281 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200658 561845085 /nfs/dbraw/zinc/84/50/85/561845085.db2.gz UOMNATPTVGYJEJ-LUDYKOSASA-N 2 2 644.883 1.281 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200663 561845124 /nfs/dbraw/zinc/84/51/24/561845124.db2.gz UOMNATPTVGYJEJ-CJMQBAMTSA-N 2 2 644.883 1.281 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(N)=O)SC1(C)C ZINC000027200663 561845123 /nfs/dbraw/zinc/84/51/23/561845123.db2.gz UOMNATPTVGYJEJ-CJMQBAMTSA-N 2 2 644.883 1.281 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200675 561845108 /nfs/dbraw/zinc/84/51/08/561845108.db2.gz VXAILNYGQSEVPN-VNWPYSKFSA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200675 561845107 /nfs/dbraw/zinc/84/51/07/561845107.db2.gz VXAILNYGQSEVPN-VNWPYSKFSA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200681 561845078 /nfs/dbraw/zinc/84/50/78/561845078.db2.gz VXAILNYGQSEVPN-UDSRUNNLSA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200681 561845076 /nfs/dbraw/zinc/84/50/76/561845076.db2.gz VXAILNYGQSEVPN-UDSRUNNLSA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200690 561845119 /nfs/dbraw/zinc/84/51/19/561845119.db2.gz VXAILNYGQSEVPN-MCNBTJAASA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200690 561845118 /nfs/dbraw/zinc/84/51/18/561845118.db2.gz VXAILNYGQSEVPN-MCNBTJAASA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200697 561845095 /nfs/dbraw/zinc/84/50/95/561845095.db2.gz VXAILNYGQSEVPN-WNJSPSCPSA-N 2 2 672.937 1.932 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027200697 561845094 /nfs/dbraw/zinc/84/50/94/561845094.db2.gz VXAILNYGQSEVPN-WNJSPSCPSA-N 2 2 672.937 1.932 1 0 KDAFLP O=C(N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CN2CCC1CC2 ZINC000027205343 561845881 /nfs/dbraw/zinc/84/58/81/561845881.db2.gz KUQRLGWOANPHCW-OUOPBPENSA-N 2 2 725.928 1.554 1 0 KDAFLP O=C(N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CN2CCC1CC2 ZINC000027205348 561845806 /nfs/dbraw/zinc/84/58/06/561845806.db2.gz KUQRLGWOANPHCW-NLSCPPDKSA-N 2 2 725.928 1.554 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C[C@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027205983 561845949 /nfs/dbraw/zinc/84/59/49/561845949.db2.gz SRLQMLZZYWJJOR-RXTYHSNLSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@H+](C[C@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027205983 561845948 /nfs/dbraw/zinc/84/59/48/561845948.db2.gz SRLQMLZZYWJJOR-RXTYHSNLSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C[C@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027205990 561845942 /nfs/dbraw/zinc/84/59/42/561845942.db2.gz SRLQMLZZYWJJOR-QSJQZRHUSA-N 2 2 710.942 1.711 1 0 KDAFLP CCO[C@@H]1C[C@@H](C(=O)NC(C)(C)C)[N@H+](C[C@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)C1 ZINC000027205990 561845941 /nfs/dbraw/zinc/84/59/41/561845941.db2.gz SRLQMLZZYWJJOR-QSJQZRHUSA-N 2 2 710.942 1.711 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207158 561846106 /nfs/dbraw/zinc/84/61/06/561846106.db2.gz ORRSQVJMZHWXEE-UWSZERFLSA-N 2 2 660.926 1.980 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207164 561846057 /nfs/dbraw/zinc/84/60/57/561846057.db2.gz ORRSQVJMZHWXEE-HQUBPGAVSA-N 2 2 660.926 1.980 1 0 KDAFLP CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207169 561846092 /nfs/dbraw/zinc/84/60/92/561846092.db2.gz ORRSQVJMZHWXEE-MKHSYKJOSA-N 2 2 660.926 1.980 1 0 KDAFLP CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1[NH2+][C@@H](C(=O)NC[C@H](O)C[NH2+][C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027207175 561846071 /nfs/dbraw/zinc/84/60/71/561846071.db2.gz ORRSQVJMZHWXEE-NQPPXCKOSA-N 2 2 660.926 1.980 1 0 KDAFLP CC(C)([NH3+])CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027207749 561846343 /nfs/dbraw/zinc/84/63/43/561846343.db2.gz ZSPUXSIPYOHJGU-WMPLLBGISA-N 2 2 715.889 1.113 1 0 KDAFLP CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)[NH3+])OC1=O ZINC000027521585 561863995 /nfs/dbraw/zinc/86/39/95/561863995.db2.gz IEMSYEBYMKGXDX-NWBQTEKMSA-N 2 2 683.851 1.957 1 0 KDAFLP CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)[NH3+])OC1=O ZINC000027521585 561863993 /nfs/dbraw/zinc/86/39/93/561863993.db2.gz IEMSYEBYMKGXDX-NWBQTEKMSA-N 2 2 683.851 1.957 1 0 KDAFLP CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)c2ccccc21 ZINC000027522611 561864527 /nfs/dbraw/zinc/86/45/27/561864527.db2.gz IELGNCJBBFMEBL-BJKOFHAPSA-N 2 2 550.685 1.347 1 0 KDAFLP CC(=O)N(CCc1c[nH]c[nH+]1)CC(=O)N(CC(=O)N(CCCC[NH3+])CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 ZINC000027522725 561864671 /nfs/dbraw/zinc/86/46/71/561864671.db2.gz YYBOUVZNKIGKBH-UHFFFAOYSA-N 2 2 685.830 1.435 1 0 KDAFLP CC(=O)N(CCc1c[nH+]c[nH]1)CC(=O)N(CC(=O)N(CCCC[NH3+])CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1 ZINC000027522725 561864669 /nfs/dbraw/zinc/86/46/69/561864669.db2.gz YYBOUVZNKIGKBH-UHFFFAOYSA-N 2 2 685.830 1.435 1 0 KDAFLP COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)CC[NH2+]CCC[NH+](C)C)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027993679 561893418 /nfs/dbraw/zinc/89/34/18/561893418.db2.gz CJASQSIGTKSMFJ-QABMSTFYSA-N 2 2 604.770 1.561 1 0 KDAFLP COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)CC[NH2+]CCC[NH+](C)C)CCC[NH2+]C2)C(=O)[O-])cc1 ZINC000027993684 561893422 /nfs/dbraw/zinc/89/34/22/561893422.db2.gz CJASQSIGTKSMFJ-NGQVCNFZSA-N 2 2 604.770 1.561 1 0 KDAFLP CCC[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028137936 561906916 /nfs/dbraw/zinc/90/69/16/561906916.db2.gz LDLMWCPPJGGOSB-UHFFFAOYSA-N 2 2 508.685 1.647 1 0 KDAFLP CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC000028225304 561907900 /nfs/dbraw/zinc/90/79/00/561907900.db2.gz BGIJOXWSDSYECN-CLJLJLNGSA-N 2 2 529.645 1.579 1 0 KDAFLP O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028339771 561913853 /nfs/dbraw/zinc/91/38/53/561913853.db2.gz GWDQFGRJLZWPKB-UHFFFAOYSA-N 2 2 543.690 1.837 1 0 KDAFLP CC(C)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028343959 561914476 /nfs/dbraw/zinc/91/44/76/561914476.db2.gz JDOUMQWFBFWHEB-UHFFFAOYSA-N 2 2 508.685 1.646 1 0 KDAFLP CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000028470595 561926868 /nfs/dbraw/zinc/92/68/68/561926868.db2.gz YMLGGFFMAHXYRQ-JOCHJYFZSA-N 2 2 688.834 1.504 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028477946 561928732 /nfs/dbraw/zinc/92/87/32/561928732.db2.gz SBRWYSWQXKWUMO-STXQHDJLSA-N 2 2 572.714 1.867 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028477946 561928731 /nfs/dbraw/zinc/92/87/31/561928731.db2.gz SBRWYSWQXKWUMO-STXQHDJLSA-N 2 2 572.714 1.867 1 0 KDAFLP [NH3+]C1CC[NH+]([C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)CC1 ZINC000028638946 561942405 /nfs/dbraw/zinc/94/24/05/561942405.db2.gz GEENKHJJSICYPD-ODRDEDCPSA-N 2 2 663.823 1.962 1 0 KDAFLP C[NH2+][C@@H]1C[C@H]([NH2+]C)CN(c2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3C[C@H]([NH2+]C)C[C@H]([NH2+]C)C3)n2)C1 ZINC000028703869 561947874 /nfs/dbraw/zinc/94/78/74/561947874.db2.gz GKBWOSLVUYEDEU-USTZCAOPSA-N 4 2 523.517 1.694 1 0 KDAFLP C[NH2+][C@@H]1C[C@H]([NH2+]C)CN(c2nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4O)cc3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000028703895 561947839 /nfs/dbraw/zinc/94/78/39/561947839.db2.gz FEVVRWDBDHLVIX-OWPBHNNHSA-N 4 2 611.755 1.977 1 0 KDAFLP Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Nc3nc(N4C[C@@H]([NH3+])[C@@H]([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2O)cc1 ZINC000028703967 561948013 /nfs/dbraw/zinc/94/80/13/561948013.db2.gz NRTNVGMISPVZEM-XOMBCNSKSA-N 4 2 659.821 1.364 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028755928 561955814 /nfs/dbraw/zinc/95/58/14/561955814.db2.gz RPVJYTILLBNREF-ILQYKGERSA-N 2 2 581.758 1.582 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028755929 561955844 /nfs/dbraw/zinc/95/58/44/561955844.db2.gz RPVJYTILLBNREF-IBJNDKGOSA-N 2 2 581.758 1.582 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028755931 561955865 /nfs/dbraw/zinc/95/58/65/561955865.db2.gz RPVJYTILLBNREF-AAMRELFESA-N 2 2 581.758 1.582 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028755933 561955808 /nfs/dbraw/zinc/95/58/08/561955808.db2.gz RPVJYTILLBNREF-JSDGYEMZSA-N 2 2 581.758 1.582 1 0 KDAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000028763866 561958924 /nfs/dbraw/zinc/95/89/24/561958924.db2.gz ONSDGSQYTZTOGO-XLIKFSOKSA-N 2 2 641.814 1.383 1 0 KDAFLP COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CC=C[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC000028765227 561959562 /nfs/dbraw/zinc/95/95/62/561959562.db2.gz HUPDLDFSMGXKKJ-FGYHSWKASA-N 2 2 568.719 1.798 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC(=O)[C@H](CCC[NH3+])NC1=O ZINC000028823441 561968082 /nfs/dbraw/zinc/96/80/82/561968082.db2.gz NJQDGJVEBGAIQO-OUWCSBRQSA-N 2 2 551.688 1.479 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CC[NH3+])NC1=O ZINC000028823443 561968073 /nfs/dbraw/zinc/96/80/73/561968073.db2.gz ISISZWCVQIEXQM-BFLUCZKCSA-N 2 2 539.677 1.009 1 0 KDAFLP CC(C)[NH2+]C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000028823446 561968117 /nfs/dbraw/zinc/96/81/17/561968117.db2.gz KNBPGHPBDKIFEI-FULLSBAXSA-N 2 2 567.731 1.658 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](C[NH3+])NC1=O ZINC000028823448 561968119 /nfs/dbraw/zinc/96/81/19/561968119.db2.gz WYYBCZKSXSIUBO-GIFXNVAJSA-N 2 2 544.096 1.566 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](C[NH3+])NC1=O ZINC000028823449 561968281 /nfs/dbraw/zinc/96/82/81/561968281.db2.gz GIGOFXNPNLWMME-GIFXNVAJSA-N 2 2 544.096 1.566 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](C[NH3+])NC1=O ZINC000028823451 561968248 /nfs/dbraw/zinc/96/82/48/561968248.db2.gz DVDWIPVKYMAQFW-GIFXNVAJSA-N 2 2 577.648 1.932 1 0 KDAFLP C[NH2+]C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000028823452 561968215 /nfs/dbraw/zinc/96/82/15/561968215.db2.gz PLHRYBWQMPIXPZ-RMTZWNOUSA-N 2 2 558.123 1.827 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=[NH2+])NC1=O ZINC000028823456 561968208 /nfs/dbraw/zinc/96/82/08/561968208.db2.gz ABVYORDZFPNGAL-GIFXNVAJSA-N 2 2 586.137 1.091 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=[NH2+])NC1=O ZINC000028823457 561968223 /nfs/dbraw/zinc/96/82/23/561968223.db2.gz FOPMEOGNSDLKOM-GIFXNVAJSA-N 2 2 619.689 1.456 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC2=[NH+]CCN2)NC1=O ZINC000028823461 561968263 /nfs/dbraw/zinc/96/82/63/561968263.db2.gz MHMGFOWRNHIOLN-CMTIAEDTSA-N 2 2 612.175 1.157 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC2=[NH+]CCCN2)NC1=O ZINC000028823463 561968181 /nfs/dbraw/zinc/96/81/81/561968181.db2.gz ZKKSOCYZPAWTOY-FULLSBAXSA-N 2 2 626.202 1.547 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNC(N)=[NH2+])NC1=O ZINC000028823465 561968253 /nfs/dbraw/zinc/96/82/53/561968253.db2.gz SVAAEIIODLRBGT-GIFXNVAJSA-N 2 2 586.137 1.091 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CCNC(N)=[NH2+])NC1=O ZINC000028823467 561968272 /nfs/dbraw/zinc/96/82/72/561968272.db2.gz LBSJXANNUQDGPG-BFLUCZKCSA-N 2 2 600.164 1.481 1 0 KDAFLP CC(=[NH2+])Nc1cc(C(=O)N(C)c2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000028864254 561973125 /nfs/dbraw/zinc/97/31/25/561973125.db2.gz MVIOHEIFMQNQCK-UHFFFAOYSA-N 2 2 551.652 1.702 1 0 KDAFLP Nc1ncnc2c1ncn2CCOCP(=O)(OCCOC(=O)[C@@H]([NH3+])Cc1ccccc1)OCCOC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028886229 561977583 /nfs/dbraw/zinc/97/75/83/561977583.db2.gz GGXQRPRWKWXVGA-DQEYMECFSA-N 2 2 655.649 1.835 1 0 KDAFLP Nc1ncnc2c1ncn2CCOCP(=O)(OCOC(=O)[C@@H]([NH3+])Cc1ccccc1)OCOC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000028886366 561977559 /nfs/dbraw/zinc/97/75/59/561977559.db2.gz URKFZPLOXOXUTR-GOTSBHOMSA-N 2 2 627.595 1.750 1 0 KDAFLP COc1cc(CC(=O)N(C)[C@H](C[N@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1OC ZINC000029042944 561991821 /nfs/dbraw/zinc/99/18/21/561991821.db2.gz HYJLRKAZCMRYMO-BJKOFHAPSA-N 2 2 560.717 1.449 1 0 KDAFLP COc1cc(CC(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1OC ZINC000029042944 561991820 /nfs/dbraw/zinc/99/18/20/561991820.db2.gz HYJLRKAZCMRYMO-BJKOFHAPSA-N 2 2 560.717 1.449 1 0 KDAFLP Cc1[nH+]cn(CC(=O)NCC(C)(C)[NH3+])c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125500 561997622 /nfs/dbraw/zinc/99/76/22/561997622.db2.gz ZIOISBSNHJZBRR-UHFFFAOYSA-N 2 2 500.625 1.505 1 0 KDAFLP Cc1[nH+]cn(CC(=O)NC(C)(C)C[NH3+])c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125541 561997710 /nfs/dbraw/zinc/99/77/10/561997710.db2.gz GVMSYYQSSUXFQT-UHFFFAOYSA-N 2 2 500.625 1.505 1 0 KDAFLP Cc1[nH+]cn(CC(=O)N[C@@H]2CCC[NH2+]C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125542 561997665 /nfs/dbraw/zinc/99/76/65/561997665.db2.gz VWTMLJCRZUXEAS-OAQYLSRUSA-N 2 2 512.636 1.520 1 0 KDAFLP Cc1[nH+]cn(CC(=O)N[C@H]2CCC[NH2+]C2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125543 561997733 /nfs/dbraw/zinc/99/77/33/561997733.db2.gz VWTMLJCRZUXEAS-NRFANRHFSA-N 2 2 512.636 1.520 1 0 KDAFLP CCN1C[C@@H](CNc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)[nH+]c21 ZINC000029390303 562017152 /nfs/dbraw/zinc/01/71/52/562017152.db2.gz NUNSPBDMVNESKJ-JUMFHWHPSA-N 2 2 657.772 1.920 1 0 KDAFLP CCN1C[C@H](CNc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)[nH+]c21 ZINC000029390306 562017139 /nfs/dbraw/zinc/01/71/39/562017139.db2.gz NUNSPBDMVNESKJ-ZBAJWAEMSA-N 2 2 657.772 1.920 1 0 KDAFLP CCN1C[C@@H](C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)[nH+]c21 ZINC000029395103 562018271 /nfs/dbraw/zinc/01/82/71/562018271.db2.gz JVWRCSCYWJKNMR-QPVYNBJUSA-N 2 2 671.755 1.447 1 0 KDAFLP CCN1C[C@H](C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO3)C(=O)c2ccc(C)[nH+]c21 ZINC000029395106 562018227 /nfs/dbraw/zinc/01/82/27/562018227.db2.gz JVWRCSCYWJKNMR-UIUQJESISA-N 2 2 671.755 1.447 1 0 KDAFLP CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(NC(=O)NCc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)cc1 ZINC000029462746 562023352 /nfs/dbraw/zinc/02/33/52/562023352.db2.gz FEQRYMPEKXKKLU-UHFFFAOYSA-N 3 2 504.603 1.379 1 0 KDAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CNC(=O)Nc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)cc1 ZINC000029462746 562023351 /nfs/dbraw/zinc/02/33/51/562023351.db2.gz FEQRYMPEKXKKLU-UHFFFAOYSA-N 4 2 504.603 1.379 1 0 KDAFLP Cc1cc(S(=O)(=O)c2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2)ccc1N1C(=N)NC(=[NH2+])NC1(C)C ZINC000029464142 562023635 /nfs/dbraw/zinc/02/36/35/562023635.db2.gz FDLLJWZGPNXRSQ-UHFFFAOYSA-N 2 2 510.628 1.199 1 0 KDAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCCCOc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)cc1 ZINC000029464399 562023832 /nfs/dbraw/zinc/02/38/32/562023832.db2.gz BCFDXGPRBNAMPG-UHFFFAOYSA-N 4 2 506.615 1.906 1 0 KDAFLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CC(Cc2ccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)cc2)C(=O)[O-])cc1 ZINC000029464770 562023854 /nfs/dbraw/zinc/02/38/54/562023854.db2.gz HGBPHPQOEBZCHO-UHFFFAOYSA-N 3 2 518.626 1.544 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564802 562034211 /nfs/dbraw/zinc/03/42/11/562034211.db2.gz KXKATHUXLQOZQK-MZBLVXSRSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564802 562034209 /nfs/dbraw/zinc/03/42/09/562034209.db2.gz KXKATHUXLQOZQK-MZBLVXSRSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564806 562034248 /nfs/dbraw/zinc/03/42/48/562034248.db2.gz KXKATHUXLQOZQK-IIZANFQQSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564806 562034246 /nfs/dbraw/zinc/03/42/46/562034246.db2.gz KXKATHUXLQOZQK-IIZANFQQSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564809 562034170 /nfs/dbraw/zinc/03/41/70/562034170.db2.gz KXKATHUXLQOZQK-ABVIYVDXSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH3+] ZINC000029564809 562034168 /nfs/dbraw/zinc/03/41/68/562034168.db2.gz KXKATHUXLQOZQK-ABVIYVDXSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564812 562034226 /nfs/dbraw/zinc/03/42/26/562034226.db2.gz KXKATHUXLQOZQK-VFFRCKCKSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000029564812 562034224 /nfs/dbraw/zinc/03/42/24/562034224.db2.gz KXKATHUXLQOZQK-VFFRCKCKSA-N 2 2 714.909 1.461 1 0 KDAFLP CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000036160655 562048543 /nfs/dbraw/zinc/04/85/43/562048543.db2.gz UGLQNSFGWCGECE-AWBUAIGWSA-N 2 2 565.715 1.870 1 0 KDAFLP CC(=O)NCc1ccc[nH+]c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285104 562053762 /nfs/dbraw/zinc/05/37/62/562053762.db2.gz URONERNFMHQUMD-OAQYLSRUSA-N 2 2 521.449 1.749 1 0 KDAFLP COCC(=O)NCc1ccc[nH+]c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285123 562053828 /nfs/dbraw/zinc/05/38/28/562053828.db2.gz UZIGAJAPNOUWNH-OAQYLSRUSA-N 2 2 551.475 1.376 1 0 KDAFLP CN(C)C(=O)[C@@H](CO)[NH+](C)Cc1ccc2c(c1)CC[C@H](N1CC[N@@H+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764331 562079516 /nfs/dbraw/zinc/07/95/16/562079516.db2.gz CVRXJUWJTSBTOZ-RRPNLBNLSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@@H](CO)[NH+](C)Cc1ccc2c(c1)CC[C@H](N1CC[N@H+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764331 562079514 /nfs/dbraw/zinc/07/95/14/562079514.db2.gz CVRXJUWJTSBTOZ-RRPNLBNLSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@@H](CO)[N@@H+](C)Cc1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764331 562079512 /nfs/dbraw/zinc/07/95/12/562079512.db2.gz CVRXJUWJTSBTOZ-RRPNLBNLSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@@H](CO)[N@H+](C)Cc1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764331 562079510 /nfs/dbraw/zinc/07/95/10/562079510.db2.gz CVRXJUWJTSBTOZ-RRPNLBNLSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@H](CO)[NH+](C)Cc1ccc2c(c1)CC[C@H](N1CC[N@@H+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764332 562079499 /nfs/dbraw/zinc/07/94/99/562079499.db2.gz CVRXJUWJTSBTOZ-SVBPBHIXSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@H](CO)[NH+](C)Cc1ccc2c(c1)CC[C@H](N1CC[N@H+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764332 562079497 /nfs/dbraw/zinc/07/94/97/562079497.db2.gz CVRXJUWJTSBTOZ-SVBPBHIXSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@H](CO)[N@@H+](C)Cc1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764332 562079495 /nfs/dbraw/zinc/07/94/95/562079495.db2.gz CVRXJUWJTSBTOZ-SVBPBHIXSA-N 2 2 510.654 1.951 1 0 KDAFLP CN(C)C(=O)[C@H](CO)[N@H+](C)Cc1ccc2c(c1)CC[C@H](N1CC[NH+](CCc3ccc(F)cc3)CC1=O)C2 ZINC000040764332 562079494 /nfs/dbraw/zinc/07/94/94/562079494.db2.gz CVRXJUWJTSBTOZ-SVBPBHIXSA-N 2 2 510.654 1.951 1 0 KDAFLP CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CCCC[NH3+])[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000040767186 562079659 /nfs/dbraw/zinc/07/96/59/562079659.db2.gz OMRBFPOTXKVBNW-FVQQHVHLSA-N 2 2 501.672 1.721 1 0 KDAFLP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCC[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000043070664 562645496 /nfs/dbraw/zinc/64/54/96/562645496.db2.gz QOZVOJAVOGWBBG-UHFFFAOYSA-N 2 2 516.108 1.873 1 0 KDAFLP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000043226816 562647182 /nfs/dbraw/zinc/64/71/82/562647182.db2.gz WVWCNNDRPSTJGK-YDPTYEFTSA-N 2 2 623.758 1.598 1 0 KDAFLP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000043226816 562647181 /nfs/dbraw/zinc/64/71/81/562647181.db2.gz WVWCNNDRPSTJGK-YDPTYEFTSA-N 2 2 623.758 1.598 1 0 KDAFLP C[NH+]1CCN(c2ccc3nccc(CC[NH+]4CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1 ZINC000045191878 562658562 /nfs/dbraw/zinc/65/85/62/562658562.db2.gz CUSVTZGWSDWACT-UHFFFAOYSA-N 3 2 516.650 1.904 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(C2CCCCC2)[nH+]1)NC(=O)OC(C)(C)C ZINC000045290741 562660349 /nfs/dbraw/zinc/66/03/49/562660349.db2.gz NBSIDSFDXXMEFM-ROUUACIJSA-N 2 2 507.636 1.814 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c(C2CCCCC2)[nH]1)NC(=O)OC(C)(C)C ZINC000045290741 562660348 /nfs/dbraw/zinc/66/03/48/562660348.db2.gz NBSIDSFDXXMEFM-ROUUACIJSA-N 2 2 507.636 1.814 1 0 KDAFLP NC(=[NH2+])NCC[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000049627295 562667529 /nfs/dbraw/zinc/66/75/29/562667529.db2.gz UPVIZTSWVQCULU-RNTNBXDSSA-N 3 2 692.817 1.897 1 0 KDAFLP NC(=[NH2+])NCC[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000049627295 562667528 /nfs/dbraw/zinc/66/75/28/562667528.db2.gz UPVIZTSWVQCULU-RNTNBXDSSA-N 3 2 692.817 1.897 1 0 KDAFLP NC(=[NH2+])NCC[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000049627295 562667527 /nfs/dbraw/zinc/66/75/27/562667527.db2.gz UPVIZTSWVQCULU-RNTNBXDSSA-N 3 2 692.817 1.897 1 0 KDAFLP NC(=[NH2+])NCC[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2c([nH]c1[C@@H]3O5)[C@@H]1Oc3c4c(ccc3O)C[C@H]3[NH+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000049627295 562667526 /nfs/dbraw/zinc/66/75/26/562667526.db2.gz UPVIZTSWVQCULU-RNTNBXDSSA-N 3 2 692.817 1.897 1 0 KDAFLP CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000049654674 562668097 /nfs/dbraw/zinc/66/80/97/562668097.db2.gz QDUWEZGYZYPMBL-XYPUQJIVSA-N 2 2 720.875 1.589 1 0 KDAFLP CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000049654674 562668096 /nfs/dbraw/zinc/66/80/96/562668096.db2.gz QDUWEZGYZYPMBL-XYPUQJIVSA-N 2 2 720.875 1.589 1 0 KDAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCCNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)n2)c1 ZINC000049678116 562668481 /nfs/dbraw/zinc/66/84/81/562668481.db2.gz CPGDVADPYMWULY-UHFFFAOYSA-N 2 2 562.643 1.431 1 0 KDAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)n2)c1 ZINC000049678480 562668579 /nfs/dbraw/zinc/66/85/79/562668579.db2.gz GJCOTURCDIQEKP-UHFFFAOYSA-N 2 2 548.616 1.041 1 0 KDAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCOCCNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)n2)c1 ZINC000049679116 562668755 /nfs/dbraw/zinc/66/87/55/562668755.db2.gz HUQLESIKXDEJFQ-UHFFFAOYSA-N 2 2 592.669 1.057 1 0 KDAFLP Nc1cccc(Nc2nc(NCCO)[nH+]c(NCCCCNc3nc(Nc4cccc(N)c4)nc(NCCO)[nH+]3)n2)c1 ZINC000049679632 562668928 /nfs/dbraw/zinc/66/89/28/562668928.db2.gz DMZLDKHRMUNONV-UHFFFAOYSA-N 2 2 576.670 1.821 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C=Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000049694482 562669409 /nfs/dbraw/zinc/66/94/09/562669409.db2.gz AVSRZZMIFZBOQS-ZUQJSNLJSA-N 2 2 655.682 1.130 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C=Cc1cccc(C(F)(F)F)c1)C(N)=O ZINC000049694482 562669408 /nfs/dbraw/zinc/66/94/08/562669408.db2.gz AVSRZZMIFZBOQS-ZUQJSNLJSA-N 2 2 655.682 1.130 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c(C23CC4CC(CC(C4)C2)C3)[nH]1)C(=O)NCc1ccccc1 ZINC000049709535 562671384 /nfs/dbraw/zinc/67/13/84/562671384.db2.gz CFSDPSOKJLJSIF-FSLZXCMFSA-N 3 2 534.709 1.812 1 0 KDAFLP O=C(CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000049745176 562673695 /nfs/dbraw/zinc/67/36/95/562673695.db2.gz RVHUAXRXJRERIP-SVBPBHIXSA-N 2 2 616.679 1.200 1 0 KDAFLP NC(=O)CC[NH2+]C[C@H](Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)[NH2+]C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049774986 562678832 /nfs/dbraw/zinc/67/88/32/562678832.db2.gz ORQHCKNXGKDRRO-GSDHBNRESA-N 3 2 535.689 1.540 1 0 KDAFLP O=C(CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000049778103 562680935 /nfs/dbraw/zinc/68/09/35/562680935.db2.gz ZAHNAQZDVMSQLM-NSOVKSMOSA-N 2 2 630.706 1.590 1 0 KDAFLP [NH3+]CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C(=O)Nc1ccc(F)cc1F ZINC000049832546 562687210 /nfs/dbraw/zinc/68/72/10/562687210.db2.gz DZUVRJRNAJOKBK-GSDHBNRESA-N 2 2 613.666 1.078 1 0 KDAFLP [NH3+]CCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C(=O)Nc1ccc(F)cc1F ZINC000049832546 562687209 /nfs/dbraw/zinc/68/72/09/562687209.db2.gz DZUVRJRNAJOKBK-GSDHBNRESA-N 2 2 613.666 1.078 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877889 562690316 /nfs/dbraw/zinc/69/03/16/562690316.db2.gz ZQBPDINJRGRTDJ-LUJPHCLQSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877889 562690315 /nfs/dbraw/zinc/69/03/15/562690315.db2.gz ZQBPDINJRGRTDJ-LUJPHCLQSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877892 562690328 /nfs/dbraw/zinc/69/03/28/562690328.db2.gz ZQBPDINJRGRTDJ-SUFWOTQWSA-N 2 2 666.889 1.696 1 0 KDAFLP CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000049877892 562690327 /nfs/dbraw/zinc/69/03/27/562690327.db2.gz ZQBPDINJRGRTDJ-SUFWOTQWSA-N 2 2 666.889 1.696 1 0 KDAFLP COc1ccccc1OCC[NH+]1CCN(c2ccc(=O)n(Cn3nc(N4CC[NH+](CCOc5ccccc5OC)CC4)ccc3=O)n2)CC1 ZINC000049889316 562691954 /nfs/dbraw/zinc/69/19/54/562691954.db2.gz BISPAYOHCUASIF-UHFFFAOYSA-N 2 2 672.787 1.725 1 0 KDAFLP CN1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@H](O)CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000064527011 562706727 /nfs/dbraw/zinc/70/67/27/562706727.db2.gz SQIGKFCKAVAWAX-VSGBNLITSA-N 2 2 540.749 1.987 1 0 KDAFLP C[NH+]1CCN(C[C@@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@H](O)CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000064527011 562706726 /nfs/dbraw/zinc/70/67/26/562706726.db2.gz SQIGKFCKAVAWAX-VSGBNLITSA-N 2 2 540.749 1.987 1 0 KDAFLP CN1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@@H](O)CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000064527013 562706771 /nfs/dbraw/zinc/70/67/71/562706771.db2.gz SQIGKFCKAVAWAX-NSOVKSMOSA-N 2 2 540.749 1.987 1 0 KDAFLP C[NH+]1CCN(C[C@H](O)COc2ccc(C(C)(C)c3ccc(OC[C@@H](O)CN4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000064527013 562706770 /nfs/dbraw/zinc/70/67/70/562706770.db2.gz SQIGKFCKAVAWAX-NSOVKSMOSA-N 2 2 540.749 1.987 1 0 KDAFLP Nc1nc2c(cnn2CC[NH+]2CCC([NH+]3CCOCC3)CC2)c2nn(Cc3cccc(Cl)c3)c(=O)n21 ZINC000071296897 562717675 /nfs/dbraw/zinc/71/76/75/562717675.db2.gz AQAADVKIZKSESP-UHFFFAOYSA-N 2 2 512.018 1.321 1 0 KDAFLP Cc1ccncc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071316981 562718098 /nfs/dbraw/zinc/71/80/98/562718098.db2.gz RJILMCQMDWXDNA-NTKDMRAZSA-N 2 2 501.657 1.271 1 0 KDAFLP Cc1ccncc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071316981 562718097 /nfs/dbraw/zinc/71/80/97/562718097.db2.gz RJILMCQMDWXDNA-NTKDMRAZSA-N 2 2 501.657 1.271 1 0 KDAFLP Cc1ccncc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071316981 562718096 /nfs/dbraw/zinc/71/80/96/562718096.db2.gz RJILMCQMDWXDNA-NTKDMRAZSA-N 2 2 501.657 1.271 1 0 KDAFLP Cc1ccncc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071316981 562718095 /nfs/dbraw/zinc/71/80/95/562718095.db2.gz RJILMCQMDWXDNA-NTKDMRAZSA-N 2 2 501.657 1.271 1 0 KDAFLP Nc1nc[nH+]c(N2CC[C@]3(C2)CCC[N@@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2F)C3)c1C1CC1 ZINC000071317050 562718125 /nfs/dbraw/zinc/71/81/25/562718125.db2.gz SELMTCIFGWTEAY-HOYKHHGWSA-N 2 2 504.632 1.707 1 0 KDAFLP Nc1nc[nH+]c(N2CC[C@]3(C2)CCC[N@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2F)C3)c1C1CC1 ZINC000071317050 562718124 /nfs/dbraw/zinc/71/81/24/562718124.db2.gz SELMTCIFGWTEAY-HOYKHHGWSA-N 2 2 504.632 1.707 1 0 KDAFLP Nc1[nH+]cnc(N2CC[C@]3(C2)CCC[N@@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2F)C3)c1C1CC1 ZINC000071317050 562718123 /nfs/dbraw/zinc/71/81/23/562718123.db2.gz SELMTCIFGWTEAY-HOYKHHGWSA-N 2 2 504.632 1.707 1 0 KDAFLP Nc1[nH+]cnc(N2CC[C@]3(C2)CCC[N@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2F)C3)c1C1CC1 ZINC000071317050 562718122 /nfs/dbraw/zinc/71/81/22/562718122.db2.gz SELMTCIFGWTEAY-HOYKHHGWSA-N 2 2 504.632 1.707 1 0 KDAFLP COc1cc(C[NH+]2CCN(C(=O)C[NH2+][C@H]3CCN(S(=O)(=O)Cc4ccccc4)C3)CC2)cc(OC)c1 ZINC000071317327 562718136 /nfs/dbraw/zinc/71/81/36/562718136.db2.gz SGGHGIVMNRUIQL-QHCPKHFHSA-N 2 2 516.664 1.542 1 0 KDAFLP Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071318171 562718393 /nfs/dbraw/zinc/71/83/93/562718393.db2.gz VWAPTRBPESSVKG-WZONZLPQSA-N 2 2 505.645 1.173 1 0 in-vivo KDAFLP Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071318171 562718392 /nfs/dbraw/zinc/71/83/92/562718392.db2.gz VWAPTRBPESSVKG-WZONZLPQSA-N 2 2 505.645 1.173 1 0 in-vivo KDAFLP Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071318171 562718391 /nfs/dbraw/zinc/71/83/91/562718391.db2.gz VWAPTRBPESSVKG-WZONZLPQSA-N 2 2 505.645 1.173 1 0 in-vivo KDAFLP Cc1noc(C)c1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071318171 562718390 /nfs/dbraw/zinc/71/83/90/562718390.db2.gz VWAPTRBPESSVKG-WZONZLPQSA-N 2 2 505.645 1.173 1 0 in-vivo KDAFLP Cc1ccccc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071329318 562718873 /nfs/dbraw/zinc/71/88/73/562718873.db2.gz DLRCBNSETSYSCB-CJFMBICVSA-N 2 2 500.669 1.876 1 0 KDAFLP Cc1ccccc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3[nH+]cnc(N)c3C3CC3)C2)C1 ZINC000071329318 562718872 /nfs/dbraw/zinc/71/88/72/562718872.db2.gz DLRCBNSETSYSCB-CJFMBICVSA-N 2 2 500.669 1.876 1 0 KDAFLP Cc1ccccc1S(=O)(=O)NC[C@@H](O)C[N@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071329318 562718871 /nfs/dbraw/zinc/71/88/71/562718871.db2.gz DLRCBNSETSYSCB-CJFMBICVSA-N 2 2 500.669 1.876 1 0 KDAFLP Cc1ccccc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3nc[nH+]c(N)c3C3CC3)C2)C1 ZINC000071329318 562718870 /nfs/dbraw/zinc/71/88/70/562718870.db2.gz DLRCBNSETSYSCB-CJFMBICVSA-N 2 2 500.669 1.876 1 0 KDAFLP C[NH+]1CC2(C1)CNC(=O)c1c3c([nH]c12)-c1nc(-c2ccc(OCC[NH+]4CCOCC4)cc2)ncc1CC3 ZINC000072109882 562721646 /nfs/dbraw/zinc/72/16/46/562721646.db2.gz YAYDEGVHJWTXHD-UHFFFAOYSA-N 2 2 500.603 1.875 1 0 KDAFLP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116693 562723200 /nfs/dbraw/zinc/72/32/00/562723200.db2.gz NULYECSOSOPIET-ZLNRFVROSA-N 2 2 507.639 1.357 1 0 KDAFLP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116693 562723199 /nfs/dbraw/zinc/72/31/99/562723199.db2.gz NULYECSOSOPIET-ZLNRFVROSA-N 2 2 507.639 1.357 1 0 KDAFLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116829 562723255 /nfs/dbraw/zinc/72/32/55/562723255.db2.gz ZBVVMEMXALQBEX-CYXNTTPDSA-N 2 2 557.655 1.259 1 0 KDAFLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116829 562723254 /nfs/dbraw/zinc/72/32/54/562723254.db2.gz ZBVVMEMXALQBEX-CYXNTTPDSA-N 2 2 557.655 1.259 1 0 KDAFLP [NH3+][C@@H](CCc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118494 562723543 /nfs/dbraw/zinc/72/35/43/562723543.db2.gz HMMGKQJKRKVOEQ-PFBJBMPXSA-N 2 2 571.682 1.649 1 0 KDAFLP [NH3+][C@@H](CCc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118494 562723542 /nfs/dbraw/zinc/72/35/42/562723542.db2.gz HMMGKQJKRKVOEQ-PFBJBMPXSA-N 2 2 571.682 1.649 1 0 KDAFLP [NH3+][C@@H](CCc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118603 562723609 /nfs/dbraw/zinc/72/36/09/562723609.db2.gz UAINEZURTJAREZ-PFBJBMPXSA-N 2 2 555.683 1.943 1 0 KDAFLP [NH3+][C@@H](CCc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118603 562723608 /nfs/dbraw/zinc/72/36/08/562723608.db2.gz UAINEZURTJAREZ-PFBJBMPXSA-N 2 2 555.683 1.943 1 0 KDAFLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118671 562723621 /nfs/dbraw/zinc/72/36/21/562723621.db2.gz DTYCHFISXFVVSN-CYXNTTPDSA-N 2 2 541.656 1.553 1 0 KDAFLP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118671 562723620 /nfs/dbraw/zinc/72/36/20/562723620.db2.gz DTYCHFISXFVVSN-CYXNTTPDSA-N 2 2 541.656 1.553 1 0 KDAFLP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118751 562723668 /nfs/dbraw/zinc/72/36/68/562723668.db2.gz ZLBMMFKGKSWKGV-VSKRKVRLSA-N 2 2 525.679 1.064 1 0 KDAFLP CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118751 562723667 /nfs/dbraw/zinc/72/36/67/562723667.db2.gz ZLBMMFKGKSWKGV-VSKRKVRLSA-N 2 2 525.679 1.064 1 0 KDAFLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118938 562723681 /nfs/dbraw/zinc/72/36/81/562723681.db2.gz QBMYVNKENULJFN-UTWPSFJPSA-N 2 2 507.639 1.357 1 0 KDAFLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118938 562723680 /nfs/dbraw/zinc/72/36/80/562723680.db2.gz QBMYVNKENULJFN-UTWPSFJPSA-N 2 2 507.639 1.357 1 0 KDAFLP COc1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C(=O)NCCc3c[nH]c[nH+]3)[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 ZINC000072119952 562723930 /nfs/dbraw/zinc/72/39/30/562723930.db2.gz SDJVVFFKDUXMKR-PFBJBMPXSA-N 2 2 571.682 1.562 1 0 KDAFLP COc1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C(=O)NCCc3c[nH+]c[nH]3)[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 ZINC000072119952 562723929 /nfs/dbraw/zinc/72/39/29/562723929.db2.gz SDJVVFFKDUXMKR-PFBJBMPXSA-N 2 2 571.682 1.562 1 0 KDAFLP COc1cc2c(cc1OCCOCC[NH+](C)C)[nH+]c(N1CC[NH+](C)CC1)nc2NC1CC[NH+](C)CC1 ZINC000072134947 562727440 /nfs/dbraw/zinc/72/74/40/562727440.db2.gz FXABVICSLKZOEC-UHFFFAOYSA-N 4 2 501.676 1.853 1 0 KDAFLP CC(C)(C)OC(=O)C[C@H]([NH2+]Cc1ccc(C(N)=[NH2+])cc1)C(=O)[C@@H](CCCNC(N)=[NH2+])NS(=O)(=O)Cc1ccccc1 ZINC000072178591 562732084 /nfs/dbraw/zinc/73/20/84/562732084.db2.gz ZZJGITAKIQCFNN-PKTZIBPZSA-N 3 2 587.747 1.481 1 0 KDAFLP CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](CCCC[NH3+])C1=O ZINC000073161442 562734138 /nfs/dbraw/zinc/73/41/38/562734138.db2.gz JHXHZLYNFQZEDP-LOSJGSFVSA-N 2 2 523.678 1.401 1 0 KDAFLP Cc1c(C[NH+]2CCN(C(=O)C(C)(C)[NH3+])CC2)sc2c1nc(-c1cnc(N)nc1)nc2N1CCOCC1 ZINC000073166746 562734520 /nfs/dbraw/zinc/73/45/20/562734520.db2.gz IRYPRNBFNRSBFQ-UHFFFAOYSA-N 2 2 511.656 1.257 1 0 KDAFLP CCCCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(CC)n(CC[NH+](C)C)nc2c(=O)[nH]1 ZINC000082149200 562739644 /nfs/dbraw/zinc/73/96/44/562739644.db2.gz KYLOFMQLLNEPBT-UHFFFAOYSA-N 2 2 560.725 1.811 1 0 KDAFLP [NH3+]CCC[NH2+]CCC[NH2+]CCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCC[NH2+]CCC[NH2+]CCC[NH3+])C4=O)cc2C1=O ZINC000084669405 562747979 /nfs/dbraw/zinc/74/79/79/562747979.db2.gz FQGZDNYWQFYBMG-UHFFFAOYSA-N 6 2 634.826 1.162 1 0 KDAFLP COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC000084704914 562749861 /nfs/dbraw/zinc/74/98/61/562749861.db2.gz RJCKXVIRXLYMSH-AIZNXBIQSA-N 2 2 522.712 1.719 1 0 KDAFLP COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC000084704914 562749860 /nfs/dbraw/zinc/74/98/60/562749860.db2.gz RJCKXVIRXLYMSH-AIZNXBIQSA-N 2 2 522.712 1.719 1 0 KDAFLP C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)[NH+](C)C)C(N)=O)[NH+](C)C ZINC000084708433 562750179 /nfs/dbraw/zinc/75/01/79/562750179.db2.gz HSOQGQGMIGIOPC-RMRAHUOJSA-N 2 2 661.848 1.050 1 0 KDAFLP C[C@H](O)C[NH2+][C@H](CCCCCCC[C@](O)(C[NH2+][C@]1(C)CCN[C@H]([NH3+])C1)CC(=O)[O-])C[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085487924 560075974 /nfs/dbraw/zinc/07/59/74/560075974.db2.gz NBMGLMJXPPFHTG-UURKVNEZSA-N 3 2 543.794 1.170 1 0 biogenic,in-vitro KDAFLP C[C@@H]1[NH2+][C@H](CCCCCC[C@H](CO)CC[C@](O)(C[NH2+][C@]2(C)CCN[C@H]([NH3+])C2)CC(=O)[O-])CC[C@H]1O ZINC000085487947 560075922 /nfs/dbraw/zinc/07/59/22/560075922.db2.gz SJHPEUNTDPUVHO-SDPLTCRTSA-N 2 2 500.725 1.439 1 0 biogenic,in-vitro KDAFLP C[NH2+]C[C@H](CCCCCC[C@](O)(C[NH2+][C@]1(C)CCN[C@H]([NH3+])C1)CC(=O)[O-])CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1 ZINC000085487977 291707490 /nfs/dbraw/zinc/70/74/90/291707490.db2.gz TXHYAVVCUSKTJF-VUOAYCHCSA-N 3 2 513.768 1.667 1 0 biogenic,in-vitro KDAFLP C[NH2+]CC(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)[C@]1(Cc2ccc(O)c(OC)c2)CC[NH2+][C@@H](O)C1 ZINC000085596785 291705383 /nfs/dbraw/zinc/70/53/83/291705383.db2.gz KAWCGNDYMAKBST-AZPPDPTFSA-N 2 2 510.628 1.636 1 0 biogenic,in-vitro KDAFLP CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2ccc(Nc4nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)nc(N5C[C@H]([NH3+])C[C@H]([NH3+])C5)n4)cc2)cn3C2CC2)CC1 ZINC000095540018 562755458 /nfs/dbraw/zinc/75/54/58/562755458.db2.gz IWVUSDQINBCVKA-OQQNJPJOSA-N 5 2 754.920 1.528 1 0 KDAFLP CCCC[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000095543478 562757277 /nfs/dbraw/zinc/75/72/77/562757277.db2.gz CISIOQFTZFUVDT-KMSCUOMXSA-N 3 2 756.953 1.465 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545478 562758107 /nfs/dbraw/zinc/75/81/07/562758107.db2.gz NPVNOTIZHSHLKZ-YRCZKMHPSA-N 2 2 818.361 1.122 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545478 562758106 /nfs/dbraw/zinc/75/81/06/562758106.db2.gz NPVNOTIZHSHLKZ-YRCZKMHPSA-N 2 2 818.361 1.122 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545486 562758132 /nfs/dbraw/zinc/75/81/32/562758132.db2.gz AUPOJQYWSLXSAP-CUPIEXAXSA-N 2 2 796.333 1.503 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095545486 562758131 /nfs/dbraw/zinc/75/81/31/562758131.db2.gz AUPOJQYWSLXSAP-CUPIEXAXSA-N 2 2 796.333 1.503 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095549042 562759691 /nfs/dbraw/zinc/75/96/91/562759691.db2.gz CHNMWUKSZIMHIX-KFIZHRIMSA-N 2 2 789.942 1.630 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095549042 562759690 /nfs/dbraw/zinc/75/96/90/562759690.db2.gz CHNMWUKSZIMHIX-KFIZHRIMSA-N 2 2 789.942 1.630 1 0 KDAFLP CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@@H+](C)CCOC(=O)[C@@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559736 562762839 /nfs/dbraw/zinc/76/28/39/562762839.db2.gz ZMTGCIRJJXOERC-SXUWDHNRSA-N 2 2 544.730 1.556 1 0 KDAFLP CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@H+](C)CCOC(=O)[C@@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559736 562762838 /nfs/dbraw/zinc/76/28/38/562762838.db2.gz ZMTGCIRJJXOERC-SXUWDHNRSA-N 2 2 544.730 1.556 1 0 KDAFLP CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@@H+](C)CCOC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559737 562762877 /nfs/dbraw/zinc/76/28/77/562762877.db2.gz ZMTGCIRJJXOERC-PPUYHPBHSA-N 2 2 544.730 1.556 1 0 KDAFLP CO[C@]1(C)C[C@@H](C)[C@H](O)[C@H](C)C[N@H+](C)CCOC(=O)[C@H](C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H]([NH+](C)C)[C@H]1O ZINC000095559737 562762876 /nfs/dbraw/zinc/76/28/76/562762876.db2.gz ZMTGCIRJJXOERC-PPUYHPBHSA-N 2 2 544.730 1.556 1 0 KDAFLP C[NH+]1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4C[NH+]4CCCC4)n3)cc2)CC1 ZINC000095574675 562770073 /nfs/dbraw/zinc/77/00/73/562770073.db2.gz XLQSAYDDCSLSMI-UHFFFAOYSA-N 2 2 536.662 1.905 1 0 KDAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCC(=O)[O-])[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095588270 562774623 /nfs/dbraw/zinc/77/46/23/562774623.db2.gz LAMGQYNSXAFGDG-DQEYMECFSA-N 2 2 581.718 1.353 1 0 KDAFLP C[C@H]([NH2+]CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCCNC(N)=[NH2+] ZINC000095589525 562775014 /nfs/dbraw/zinc/77/50/14/562775014.db2.gz JANGEUOQWPBHTC-RDPSFJRHSA-N 3 2 523.682 1.508 1 0 KDAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095589638 562774984 /nfs/dbraw/zinc/77/49/84/562774984.db2.gz LMJZMNOXEWZGIT-QHCPKHFHSA-N 3 2 509.655 1.119 1 0 KDAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCCC[NH3+])[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095591189 562775503 /nfs/dbraw/zinc/77/55/03/562775503.db2.gz AXIXLZXHFGVHGO-SXOMAYOGSA-N 4 2 580.778 1.617 1 0 KDAFLP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000095591682 562775714 /nfs/dbraw/zinc/77/57/14/562775714.db2.gz AXIXLZXHFGVHGO-SVBPBHIXSA-N 4 2 580.778 1.617 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCC[N@@H+](CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593213 562776169 /nfs/dbraw/zinc/77/61/69/562776169.db2.gz XLAHTLJMVQSDTK-PQQNNWGCSA-N 2 2 807.978 1.944 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCC[N@H+](CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593213 562776168 /nfs/dbraw/zinc/77/61/68/562776168.db2.gz XLAHTLJMVQSDTK-PQQNNWGCSA-N 2 2 807.978 1.944 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)C[N@H+]3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593213 562776167 /nfs/dbraw/zinc/77/61/67/562776167.db2.gz XLAHTLJMVQSDTK-PQQNNWGCSA-N 2 2 807.978 1.944 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)C[N@@H+]3CCCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095593213 562776166 /nfs/dbraw/zinc/77/61/66/562776166.db2.gz XLAHTLJMVQSDTK-PQQNNWGCSA-N 2 2 807.978 1.944 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)C[N@H+]3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095597516 562777241 /nfs/dbraw/zinc/77/72/41/562777241.db2.gz ZIDLTLIDVYHHIR-QPPIDDCLSA-N 2 2 822.005 1.621 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)C[N@@H+]3CCCN(CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095597516 562777240 /nfs/dbraw/zinc/77/72/40/562777240.db2.gz ZIDLTLIDVYHHIR-QPPIDDCLSA-N 2 2 822.005 1.621 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCC[N@@H+](CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095597516 562777239 /nfs/dbraw/zinc/77/72/39/562777239.db2.gz ZIDLTLIDVYHHIR-QPPIDDCLSA-N 2 2 822.005 1.621 1 0 KDAFLP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCC[N@H+](CC3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000095597516 562777238 /nfs/dbraw/zinc/77/72/38/562777238.db2.gz ZIDLTLIDVYHHIR-QPPIDDCLSA-N 2 2 822.005 1.621 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000095606898 562782507 /nfs/dbraw/zinc/78/25/07/562782507.db2.gz KYHILABVVZODQF-GZXHTMMISA-N 2 2 767.936 1.592 1 0 KDAFLP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)CCCCCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000095606898 562782506 /nfs/dbraw/zinc/78/25/06/562782506.db2.gz KYHILABVVZODQF-GZXHTMMISA-N 2 2 767.936 1.592 1 0 KDAFLP C[NH+](C)CCNC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095610019 562784143 /nfs/dbraw/zinc/78/41/43/562784143.db2.gz NOZQEEVAGHWFNT-ORYMTKCHSA-N 2 2 784.001 1.846 1 0 KDAFLP C[NH+](C)CCNC(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095610019 562784142 /nfs/dbraw/zinc/78/41/42/562784142.db2.gz NOZQEEVAGHWFNT-ORYMTKCHSA-N 2 2 784.001 1.846 1 0 KDAFLP C[NH+]1CCN(C(=O)Cn2nnnc2SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000095610214 562784250 /nfs/dbraw/zinc/78/42/50/562784250.db2.gz VMFSYJVCOABCNM-YDPTYEFTSA-N 2 2 796.012 1.942 1 0 KDAFLP C[NH+]1CCN(C(=O)Cn2nnnc2SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000095610214 562784249 /nfs/dbraw/zinc/78/42/49/562784249.db2.gz VMFSYJVCOABCNM-YDPTYEFTSA-N 2 2 796.012 1.942 1 0 KDAFLP CCCC[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH2+]C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O ZINC000095610250 562784262 /nfs/dbraw/zinc/78/42/62/562784262.db2.gz JXNPRGCRKXHYPH-KFIZHRIMSA-N 3 2 770.980 1.901 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095613630 562786399 /nfs/dbraw/zinc/78/63/99/562786399.db2.gz PPISUPSPKCHLKT-CUPIEXAXSA-N 2 2 812.332 1.339 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095613630 562786398 /nfs/dbraw/zinc/78/63/98/562786398.db2.gz PPISUPSPKCHLKT-CUPIEXAXSA-N 2 2 812.332 1.339 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614539 562786683 /nfs/dbraw/zinc/78/66/83/562786683.db2.gz CHNMWUKSZIMHIX-ZYADHFCISA-N 2 2 789.942 1.630 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614539 562786682 /nfs/dbraw/zinc/78/66/82/562786682.db2.gz CHNMWUKSZIMHIX-ZYADHFCISA-N 2 2 789.942 1.630 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614758 562786860 /nfs/dbraw/zinc/78/68/60/562786860.db2.gz ZJRYSELENYTFKR-BBACVFHCSA-N 2 2 775.915 1.239 1 0 KDAFLP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095614758 562786859 /nfs/dbraw/zinc/78/68/59/562786859.db2.gz ZJRYSELENYTFKR-BBACVFHCSA-N 2 2 775.915 1.239 1 0 KDAFLP CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615256 562787201 /nfs/dbraw/zinc/78/72/01/562787201.db2.gz IAXQJICNQNNYCU-KFIZHRIMSA-N 2 2 775.915 1.217 1 0 KDAFLP CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615256 562787200 /nfs/dbraw/zinc/78/72/00/562787200.db2.gz IAXQJICNQNNYCU-KFIZHRIMSA-N 2 2 775.915 1.217 1 0 KDAFLP C[NH+](C)CCNc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000096271517 562793823 /nfs/dbraw/zinc/79/38/23/562793823.db2.gz GBBTUGFVODHLMQ-UHFFFAOYSA-N 2 2 503.558 1.795 1 0 KDAFLP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514817 562811225 /nfs/dbraw/zinc/81/12/25/562811225.db2.gz UNKDEYXEXSLRTF-UEQSERJNSA-N 2 2 560.765 1.965 1 0 KDAFLP CC(C)n1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)c2ccccc21 ZINC000101514818 562811177 /nfs/dbraw/zinc/81/11/77/562811177.db2.gz UNKDEYXEXSLRTF-KIHHCIJBSA-N 2 2 560.765 1.965 1 0 KDAFLP CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC[NH+]3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261881 562821578 /nfs/dbraw/zinc/82/15/78/562821578.db2.gz ABHVKYFWPPHTHF-UNMANBMVSA-N 2 2 625.689 1.928 1 0 KDAFLP CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC[NH+]3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261883 562821614 /nfs/dbraw/zinc/82/16/14/562821614.db2.gz ABHVKYFWPPHTHF-BTCYMDFISA-N 2 2 625.689 1.928 1 0 KDAFLP CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC[NH+]3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261885 562821599 /nfs/dbraw/zinc/82/15/99/562821599.db2.gz ABHVKYFWPPHTHF-RPMIOKOLSA-N 2 2 625.689 1.928 1 0 KDAFLP CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)OCC[NH+]3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261887 562821607 /nfs/dbraw/zinc/82/16/07/562821607.db2.gz ABHVKYFWPPHTHF-RAKSSTMPSA-N 2 2 625.689 1.928 1 0 KDAFLP COc1ccc(-c2[nH]c(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH+]2)cc1 ZINC000103297967 562824738 /nfs/dbraw/zinc/82/47/38/562824738.db2.gz IPAYZRMZBUNCNE-VXKWHMMOSA-N 3 2 506.611 1.020 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(C)cc2)[nH+]1)NC(=O)OC(C)(C)C ZINC000103297980 562824670 /nfs/dbraw/zinc/82/46/70/562824670.db2.gz ORIDHIXQMCECNK-OALUTQOASA-N 2 2 515.615 1.742 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c(-c2ccc(C)cc2)[nH]1)NC(=O)OC(C)(C)C ZINC000103297980 562824669 /nfs/dbraw/zinc/82/46/69/562824669.db2.gz ORIDHIXQMCECNK-OALUTQOASA-N 2 2 515.615 1.742 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH+]c(-c2ccc(OC)cc2)[nH]1)NC(=O)OC(C)(C)C ZINC000103297983 562824747 /nfs/dbraw/zinc/82/47/47/562824747.db2.gz MUOZNLAATHTDGM-OALUTQOASA-N 2 2 531.614 1.442 1 0 KDAFLP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(OC)cc2)[nH+]1)NC(=O)OC(C)(C)C ZINC000103297983 562824746 /nfs/dbraw/zinc/82/47/46/562824746.db2.gz MUOZNLAATHTDGM-OALUTQOASA-N 2 2 531.614 1.442 1 0 KDAFLP O=C(c1nn([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941506 562825810 /nfs/dbraw/zinc/82/58/10/562825810.db2.gz OJCJBVKNUFOBRH-LJQANCHMSA-N 2 2 510.620 1.843 1 0 KDAFLP O=C(c1nn([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941506 562825809 /nfs/dbraw/zinc/82/58/09/562825809.db2.gz OJCJBVKNUFOBRH-LJQANCHMSA-N 2 2 510.620 1.843 1 0 KDAFLP O=C(c1nn([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941508 562825817 /nfs/dbraw/zinc/82/58/17/562825817.db2.gz OJCJBVKNUFOBRH-IBGZPJMESA-N 2 2 510.620 1.843 1 0 KDAFLP O=C(c1nn([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941508 562825816 /nfs/dbraw/zinc/82/58/16/562825816.db2.gz OJCJBVKNUFOBRH-IBGZPJMESA-N 2 2 510.620 1.843 1 0 KDAFLP CC(C)c1cc(-c2nn(C(=O)[C@@H](C)N)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](C)[NH3+])cc1OC(=O)[C@@H](C)[NH3+] ZINC000115809078 562829080 /nfs/dbraw/zinc/82/90/80/562829080.db2.gz HGDRQWHUKHHRQF-ZACQAIPSSA-N 2 2 577.642 1.809 1 0 KDAFLP CC(C)c1cc(-c2nn(C(=O)[C@@H](C)[NH3+])c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](C)[NH3+])cc1OC(=O)[C@@H](C)[NH3+] ZINC000115809078 562829079 /nfs/dbraw/zinc/82/90/79/562829079.db2.gz HGDRQWHUKHHRQF-ZACQAIPSSA-N 3 2 577.642 1.809 1 0 KDAFLP CC(C)c1cc(-c2nn(C(=O)[C@@H](C)N)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](C)[NH3+])cc1OC(=O)[C@H](C)[NH3+] ZINC000115809083 562829087 /nfs/dbraw/zinc/82/90/87/562829087.db2.gz HGDRQWHUKHHRQF-IKGGRYGDSA-N 2 2 577.642 1.809 1 0 KDAFLP CC(C)c1cc(-c2nn(C(=O)[C@@H](C)[NH3+])c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](C)[NH3+])cc1OC(=O)[C@H](C)[NH3+] ZINC000115809083 562829086 /nfs/dbraw/zinc/82/90/86/562829086.db2.gz HGDRQWHUKHHRQF-IKGGRYGDSA-N 3 2 577.642 1.809 1 0 KDAFLP CN(C)C(=O)c1cc2cnc(Nc3ccc(C[NH+]4CCN(C(=O)C[NH3+])CC4)cn3)nc2n1C1CCCC1 ZINC000117723198 562829843 /nfs/dbraw/zinc/82/98/43/562829843.db2.gz WJCQRFVPIONZCD-UHFFFAOYSA-N 2 2 505.627 1.990 1 0 KDAFLP C[C@@]1(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2[nH+]1 ZINC000143203502 562834769 /nfs/dbraw/zinc/83/47/69/562834769.db2.gz OQVOJUUBDHGLFL-NSYGIPOTSA-N 2 2 506.615 1.644 1 0 KDAFLP C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](CC3CC3)C2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2[nH+]1 ZINC000143203502 562834768 /nfs/dbraw/zinc/83/47/68/562834768.db2.gz OQVOJUUBDHGLFL-NSYGIPOTSA-N 2 2 506.615 1.644 1 0 KDAFLP C[C@@]1(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)C2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2[nH+]1 ZINC000143203725 562834754 /nfs/dbraw/zinc/83/47/54/562834754.db2.gz OQVOJUUBDHGLFL-GKVSMKOHSA-N 2 2 506.615 1.644 1 0 KDAFLP C[C@@]1(C(=O)N[C@H]2CCC[N@H+](CC3CC3)C2)CCCN1c1nc(Nc2cc(C(N)=O)[nH]n2)c2cccn2[nH+]1 ZINC000143203725 562834753 /nfs/dbraw/zinc/83/47/53/562834753.db2.gz OQVOJUUBDHGLFL-GKVSMKOHSA-N 2 2 506.615 1.644 1 0 KDAFLP CC(C)([NH3+])C(=O)N1CCC[C@H](NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3[nH+]2)C1 ZINC000143262923 562834830 /nfs/dbraw/zinc/83/48/30/562834830.db2.gz WUBSRAGTWCKDLH-PXNSSMCTSA-N 2 2 520.642 1.887 1 0 KDAFLP CC(C)([NH3+])C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3[nH+]2)C1 ZINC000143263122 562834868 /nfs/dbraw/zinc/83/48/68/562834868.db2.gz WUBSRAGTWCKDLH-XLIONFOSSA-N 2 2 520.642 1.887 1 0 KDAFLP C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c2N1C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579837 562845441 /nfs/dbraw/zinc/84/54/41/562845441.db2.gz YKRNWEMYEHTWEP-ZWFSMPORSA-N 2 2 800.889 1.395 1 0 KDAFLP C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c2N1C[C@@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579841 562845447 /nfs/dbraw/zinc/84/54/47/562845447.db2.gz YKRNWEMYEHTWEP-ZLYYBZRSSA-N 2 2 800.889 1.395 1 0 KDAFLP C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c2N1C[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579844 562845443 /nfs/dbraw/zinc/84/54/43/562845443.db2.gz YKRNWEMYEHTWEP-OPAOLJBVSA-N 2 2 800.889 1.395 1 0 KDAFLP C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c2N1C[C@H](C(=O)Nc1ccc2c(c1)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)CO2)C3=O ZINC000150579849 562845445 /nfs/dbraw/zinc/84/54/45/562845445.db2.gz YKRNWEMYEHTWEP-GYONPCJKSA-N 2 2 800.889 1.395 1 0 KDAFLP C[NH+]1CCN(c2cc3c(cc2F)C(=O)[C@H](C(=O)Nc2ccc4c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO4)CN3C2CC2)CC1 ZINC000150584210 562845692 /nfs/dbraw/zinc/84/56/92/562845692.db2.gz FOOROZILKZHUGN-UGUZWBSBSA-N 2 2 784.890 1.777 1 0 KDAFLP C[NH+]1CCN(c2cc3c(cc2F)C(=O)[C@@H](C(=O)Nc2ccc4c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccc(O)cc2)CO4)CN3C2CC2)CC1 ZINC000150584213 562845700 /nfs/dbraw/zinc/84/57/00/562845700.db2.gz FOOROZILKZHUGN-WJHQPOGDSA-N 2 2 784.890 1.777 1 0 KDAFLP CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C[N@@H+](C)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000169327302 562858086 /nfs/dbraw/zinc/85/80/86/562858086.db2.gz BNCWXZLEYYCTCC-COWFYMLESA-N 2 2 602.810 1.838 1 0 KDAFLP CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C[N@H+](C)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000169327302 562858085 /nfs/dbraw/zinc/85/80/85/562858085.db2.gz BNCWXZLEYYCTCC-COWFYMLESA-N 2 2 602.810 1.838 1 0 KDAFLP Cc1ccc(-c2[nH]cc(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH+]2)cc1 ZINC000169335890 562859755 /nfs/dbraw/zinc/85/97/55/562859755.db2.gz KEJOVPPWQJEUNE-AWCRTANDSA-N 3 2 746.918 1.633 1 0 KDAFLP Cc1ccc(-c2[nH]c(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH+]2)cc1 ZINC000169335890 562859754 /nfs/dbraw/zinc/85/97/54/562859754.db2.gz KEJOVPPWQJEUNE-AWCRTANDSA-N 3 2 746.918 1.633 1 0 KDAFLP COc1ccc(-c2[nH]cc(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)[nH+]2)cc1 ZINC000169335891 562859765 /nfs/dbraw/zinc/85/97/65/562859765.db2.gz WVJDGSCKHWFDPH-AWCRTANDSA-N 3 2 762.917 1.334 1 0 KDAFLP COc1ccc(-c2[nH]c(C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH+]2)cc1 ZINC000169335891 562859764 /nfs/dbraw/zinc/85/97/64/562859764.db2.gz WVJDGSCKHWFDPH-AWCRTANDSA-N 3 2 762.917 1.334 1 0 KDAFLP COc1c(Br)cc(/C=C/C(=O)NCC[NH2+]CCNCC[NH2+]CC[NH3+])cc1Br ZINC000169346611 562861830 /nfs/dbraw/zinc/86/18/30/562861830.db2.gz LMDFKPFYIWIFKK-NSCUHMNNSA-N 3 2 507.271 1.077 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829387 562884848 /nfs/dbraw/zinc/88/48/48/562884848.db2.gz UBSOHDSAEHUAAU-HDRMQKCRSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829387 562884847 /nfs/dbraw/zinc/88/48/47/562884847.db2.gz UBSOHDSAEHUAAU-HDRMQKCRSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829388 562884866 /nfs/dbraw/zinc/88/48/66/562884866.db2.gz UBSOHDSAEHUAAU-KGLZBPRHSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829388 562884865 /nfs/dbraw/zinc/88/48/65/562884865.db2.gz UBSOHDSAEHUAAU-KGLZBPRHSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829390 562884877 /nfs/dbraw/zinc/88/48/77/562884877.db2.gz UBSOHDSAEHUAAU-WYWZZSGGSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829390 562884876 /nfs/dbraw/zinc/88/48/76/562884876.db2.gz UBSOHDSAEHUAAU-WYWZZSGGSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829391 562884856 /nfs/dbraw/zinc/88/48/56/562884856.db2.gz UBSOHDSAEHUAAU-ZRHNEAHTSA-N 2 2 684.883 1.087 1 0 KDAFLP CC[C@H](C)[C@H](NC(=O)[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)NCc1ccccn1 ZINC000299829391 562884855 /nfs/dbraw/zinc/88/48/55/562884855.db2.gz UBSOHDSAEHUAAU-ZRHNEAHTSA-N 2 2 684.883 1.087 1 0 KDAFLP COC(=O)[C@H](Cc1cn(C(=O)c2ccccc2)cn1)NCc1cc(N(C)C)cc(CN[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)[nH+]1 ZINC000474609040 562905533 /nfs/dbraw/zinc/90/55/33/562905533.db2.gz NYIQTQZCAIPFEM-SVBPBHIXSA-N 2 2 588.669 1.504 1 0 KDAFLP CO[NH+]=C(N)NCCC[C@H](NC(=O)N1CC[NH+](C)CC1)C(=O)N[C@H](C=CS(=O)(=O)c1ccccc1)CCc1ccccc1 ZINC000653726609 562909191 /nfs/dbraw/zinc/90/91/91/562909191.db2.gz WBDIQCZIJLNLQL-GTBTXRJPSA-N 2 2 613.785 1.873 1 0 KDAFLP CO[NH+]=C(N)NCCC[C@H](NC(=O)N1CC[NH+](C)CC1)C(=O)N[C@H](C=CS(=O)(=O)c1ccccn1)CCc1ccccc1 ZINC000653726625 562909230 /nfs/dbraw/zinc/90/92/30/562909230.db2.gz XLEWMVFPHVWAGF-JEDGLQCNSA-N 2 2 614.773 1.268 1 0 KDAFLP C[NH+]1CCN(C(=O)N[C@@H](CCCO[NH+]=C(N)N)C(=O)N[C@H](C=CS(=O)(=O)c2ccccn2)CCc2ccccc2)CC1 ZINC000653735537 562909606 /nfs/dbraw/zinc/90/96/06/562909606.db2.gz HDXJTIZAGJGDNQ-JGFKBXGXSA-N 2 2 600.746 1.007 1 0 KDAFLP C[NH+]1CCN(C(=O)N[C@@H](CCO[NH+]=C(N)N)C(=O)N[C@H](C=CS(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000653735546 562909672 /nfs/dbraw/zinc/90/96/72/562909672.db2.gz KGHNEZBXADMWRS-BULGVLKTSA-N 2 2 585.731 1.222 1 0 KDAFLP [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)NCC[NH3+] ZINC000653799680 562913345 /nfs/dbraw/zinc/91/33/45/562913345.db2.gz OEMPVNGCQGNKCJ-RUZDIDTESA-N 2 2 559.671 1.888 1 0 KDAFLP CCN1CC[N@@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858617 562915854 /nfs/dbraw/zinc/91/58/54/562915854.db2.gz KUWYRRSXPGXTAI-DFZCOPKLSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858617 562915853 /nfs/dbraw/zinc/91/58/53/562915853.db2.gz KUWYRRSXPGXTAI-DFZCOPKLSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858618 562915875 /nfs/dbraw/zinc/91/58/75/562915875.db2.gz KUWYRRSXPGXTAI-DNEFNOKRSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858618 562915874 /nfs/dbraw/zinc/91/58/74/562915874.db2.gz KUWYRRSXPGXTAI-DNEFNOKRSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858619 562915841 /nfs/dbraw/zinc/91/58/41/562915841.db2.gz KUWYRRSXPGXTAI-NDMKBUGQSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858619 562915840 /nfs/dbraw/zinc/91/58/40/562915840.db2.gz KUWYRRSXPGXTAI-NDMKBUGQSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858620 562915866 /nfs/dbraw/zinc/91/58/66/562915866.db2.gz KUWYRRSXPGXTAI-XPSCAIQQSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[N@H+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)[C@@H](C)C1 ZINC000653858620 562915865 /nfs/dbraw/zinc/91/58/65/562915865.db2.gz KUWYRRSXPGXTAI-XPSCAIQQSA-N 2 2 697.951 1.770 1 0 KDAFLP CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866631 562916196 /nfs/dbraw/zinc/91/61/96/562916196.db2.gz PWLGWEMDKJZRBW-AWCRTANDSA-N 2 2 683.924 1.381 1 0 KDAFLP CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866632 562916221 /nfs/dbraw/zinc/91/62/21/562916221.db2.gz PWLGWEMDKJZRBW-SSBOKUKZSA-N 2 2 683.924 1.381 1 0 KDAFLP CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866633 562916210 /nfs/dbraw/zinc/91/62/10/562916210.db2.gz PWLGWEMDKJZRBW-ULNSLHSMSA-N 2 2 683.924 1.381 1 0 KDAFLP CCN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CC(=O)N[C@H](Cc3ccsc3)C(N)=O)CC(C)C)cc2)CC1 ZINC000653866634 562916239 /nfs/dbraw/zinc/91/62/39/562916239.db2.gz PWLGWEMDKJZRBW-YTCPBCGMSA-N 2 2 683.924 1.381 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882888 562916919 /nfs/dbraw/zinc/91/69/19/562916919.db2.gz SKXKXLCLBGQWQM-GIFPIDKJSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882888 562916918 /nfs/dbraw/zinc/91/69/18/562916918.db2.gz SKXKXLCLBGQWQM-GIFPIDKJSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882889 562916898 /nfs/dbraw/zinc/91/68/98/562916898.db2.gz SKXKXLCLBGQWQM-GKQHHHCTSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882889 562916897 /nfs/dbraw/zinc/91/68/97/562916897.db2.gz SKXKXLCLBGQWQM-GKQHHHCTSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882890 562916891 /nfs/dbraw/zinc/91/68/91/562916891.db2.gz SKXKXLCLBGQWQM-OVHUPFAXSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000653882890 562916890 /nfs/dbraw/zinc/91/68/90/562916890.db2.gz SKXKXLCLBGQWQM-OVHUPFAXSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882891 562916913 /nfs/dbraw/zinc/91/69/13/562916913.db2.gz SKXKXLCLBGQWQM-VVZGZWEYSA-N 3 2 683.924 1.427 1 0 KDAFLP CC(C)C[C@H](CC(=O)N[C@@H](Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000653882891 562916912 /nfs/dbraw/zinc/91/69/12/562916912.db2.gz SKXKXLCLBGQWQM-VVZGZWEYSA-N 3 2 683.924 1.427 1 0 KDAFLP O=C(NCCC[NH+]1CCOCC1)c1onc(CSc2ccccc2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000012477391 561710896 /nfs/dbraw/zinc/71/08/96/561710896.db2.gz ZBTYTFWBLWTATN-UHFFFAOYSA-N 2 2 531.679 1.871 3 0 KDAFLP O=C(NCCC[NH+]1CCOCC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000038153741 562067805 /nfs/dbraw/zinc/06/78/05/562067805.db2.gz LIKYMTBVFJDZGK-UHFFFAOYSA-N 2 2 571.704 1.747 3 0 KDAFLP COc1cccc(SCc2noc(C(=O)NCCC[NH+]3CCOCC3)c2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000059889104 562702447 /nfs/dbraw/zinc/70/24/47/562702447.db2.gz QTFAUOZZJGXZSV-UHFFFAOYSA-N 2 2 561.705 1.880 3 0 KDAFLP OCC[NH+]1CCN(c2ncnc3c2ncn3[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H](CO)O2)CC1 ZINC000072136213 562727848 /nfs/dbraw/zinc/72/78/48/562727848.db2.gz QHRNDZVYDBPILJ-IZZNHLLZSA-N 2 2 529.645 2.000 3 0 KDAFLP OCC[NH+]1CCN(c2ncnc3c2ncn3[C@H]2C[N@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H](CO)O2)CC1 ZINC000072136213 562727847 /nfs/dbraw/zinc/72/78/47/562727847.db2.gz QHRNDZVYDBPILJ-IZZNHLLZSA-N 2 2 529.645 2.000 3 0 KDAFLP