smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000003914581 561684536 /nfs/dbraw/zinc/68/45/36/561684536.db2.gz LAQXJGUAIIHFMN-AELUVZMJSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000003914581 561684534 /nfs/dbraw/zinc/68/45/34/561684534.db2.gz LAQXJGUAIIHFMN-AELUVZMJSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1 ZINC000003937152 561688640 /nfs/dbraw/zinc/68/86/40/561688640.db2.gz MOZRNOTXRYBDCM-ZTTXAYQISA-N 1 2 668.880 2.780 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1 ZINC000003937152 561688638 /nfs/dbraw/zinc/68/86/38/561688638.db2.gz MOZRNOTXRYBDCM-ZTTXAYQISA-N 1 2 668.880 2.780 1 0 KFAFLO COC(=O)C1C(C)=NC(=O)N(CC(=O)NCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000003960913 561691146 /nfs/dbraw/zinc/69/11/46/561691146.db2.gz OYHBIUUZIRTADX-SANMLTNESA-N 1 2 584.620 2.801 1 0 KFAFLO COc1cc2c(cc1OC)C(c1ccnc(-n3ccc4c(OCC[NH+]5CCOCC5)cccc4c3=O)c1)=N[C@H](CO)C2 ZINC000003973874 561691770 /nfs/dbraw/zinc/69/17/70/561691770.db2.gz FWWXAPNNHWGQDC-QHCPKHFHSA-N 1 2 570.646 2.868 1 0 KFAFLO CCS(=O)(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000003985869 561692748 /nfs/dbraw/zinc/69/27/48/561692748.db2.gz VSAJEECGHQJYJT-UHFFFAOYSA-N 1 2 536.672 2.905 1 0 KFAFLO CC1(C)CNC[C@@](C)(OCc2ccccc2)C(=O)NC(C)(C)C[NH2+]C[C@@](C)(OCc2ccccc2)C(=O)N1 ZINC000005835773 561699077 /nfs/dbraw/zinc/69/90/77/561699077.db2.gz JSBUWPSHJRQPDC-LOYHVIPDSA-N 1 2 524.706 2.920 1 0 KFAFLO CC1(C)CNC[C@@](C)(OCc2ccccc2)C(=O)NC(C)(C)C[NH2+]C[C@](C)(OCc2ccccc2)C(=O)N1 ZINC000005835775 561699054 /nfs/dbraw/zinc/69/90/54/561699054.db2.gz JSBUWPSHJRQPDC-RNPORBBMSA-N 1 2 524.706 2.920 1 0 KFAFLO CC1(C)CNC[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)C[NH2+]C[C@@](C)(OCc2ccccc2)C(=O)N1 ZINC000005835775 561699052 /nfs/dbraw/zinc/69/90/52/561699052.db2.gz JSBUWPSHJRQPDC-RNPORBBMSA-N 1 2 524.706 2.920 1 0 KFAFLO CC1(C)CNC[C@](C)(OCc2ccccc2)C(=O)NC(C)(C)C[NH2+]C[C@](C)(OCc2ccccc2)C(=O)N1 ZINC000005835785 561699060 /nfs/dbraw/zinc/69/90/60/561699060.db2.gz JSBUWPSHJRQPDC-KYJUHHDHSA-N 1 2 524.706 2.920 1 0 KFAFLO CCOC(=O)c1sc(Nc2nc3c(c(N4CC[NH2+]CC4)n2)OCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000006733305 561703249 /nfs/dbraw/zinc/70/32/49/561703249.db2.gz YHHHXYFWLHDBNL-UHFFFAOYSA-N 1 2 585.687 2.996 1 0 KFAFLO Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000013560664 561719723 /nfs/dbraw/zinc/71/97/23/561719723.db2.gz UQVQBJWQKAPUBT-UHFFFAOYSA-N 1 2 502.623 2.547 1 0 KFAFLO Cc1cc(-c2ccccc2)c(C)c(C)[n+]1-c1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 ZINC000013560666 561719703 /nfs/dbraw/zinc/71/97/03/561719703.db2.gz BVCVYTLOMICPJW-UHFFFAOYSA-N 1 2 516.650 2.855 1 0 KFAFLO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(N2CC[NH+](CCO)CC2)c(F)c1 ZINC000013588303 561720947 /nfs/dbraw/zinc/72/09/47/561720947.db2.gz POIOHFUNIKZZMK-ATIYNZHBSA-N 1 2 534.673 2.698 1 0 KFAFLO COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1O ZINC000013760686 561727701 /nfs/dbraw/zinc/72/77/01/561727701.db2.gz PEZLAFKDOMGSEL-OPAMFIHVSA-N 1 2 507.495 2.514 1 0 KFAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1ccc2c(c1)OCO2 ZINC000013796704 561730121 /nfs/dbraw/zinc/73/01/21/561730121.db2.gz IMFCNBJRTYHSIN-UHFFFAOYSA-N 1 2 522.554 2.789 1 0 KFAFLO CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]c[nH+]2)C[C@@H]1CNC(=O)c1ccccc1 ZINC000013813397 561731871 /nfs/dbraw/zinc/73/18/71/561731871.db2.gz TYIREKPLERMDCV-FQEVSTJZSA-N 1 2 518.437 2.753 1 0 KFAFLO CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH+]c[nH]2)C[C@@H]1CNC(=O)c1ccccc1 ZINC000013813397 561731869 /nfs/dbraw/zinc/73/18/69/561731869.db2.gz TYIREKPLERMDCV-FQEVSTJZSA-N 1 2 518.437 2.753 1 0 KFAFLO COC(=O)C1C(C)=NC(=O)N(CC(=O)NCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096233 561736397 /nfs/dbraw/zinc/73/63/97/561736397.db2.gz OYHBIUUZIRTADX-AREMUKBSSA-N 1 2 584.620 2.801 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OC)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000014210459 561737793 /nfs/dbraw/zinc/73/77/93/561737793.db2.gz BNIYEGMNETZYGX-ZRRKCSAHSA-N 1 2 552.716 2.763 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000014942843 561740314 /nfs/dbraw/zinc/74/03/14/561740314.db2.gz DMVZKUWZKVVEEN-YNFNHKPXSA-N 1 2 599.841 2.532 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000014942843 561740313 /nfs/dbraw/zinc/74/03/13/561740313.db2.gz DMVZKUWZKVVEEN-YNFNHKPXSA-N 1 2 599.841 2.532 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000014942845 561740261 /nfs/dbraw/zinc/74/02/61/561740261.db2.gz DMVZKUWZKVVEEN-HTECONTDSA-N 1 2 599.841 2.532 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000014942845 561740259 /nfs/dbraw/zinc/74/02/59/561740259.db2.gz DMVZKUWZKVVEEN-HTECONTDSA-N 1 2 599.841 2.532 1 0 KFAFLO C[C@@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942850 561740339 /nfs/dbraw/zinc/74/03/39/561740339.db2.gz SSAWLODCPROYGG-JJEHWUSNSA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942850 561740337 /nfs/dbraw/zinc/74/03/37/561740337.db2.gz SSAWLODCPROYGG-JJEHWUSNSA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942852 561740275 /nfs/dbraw/zinc/74/02/75/561740275.db2.gz SSAWLODCPROYGG-PFDRMGOISA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942852 561740273 /nfs/dbraw/zinc/74/02/73/561740273.db2.gz SSAWLODCPROYGG-PFDRMGOISA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942854 561740330 /nfs/dbraw/zinc/74/03/30/561740330.db2.gz SSAWLODCPROYGG-VUCAYNMSSA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@H]1[C@@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942854 561740328 /nfs/dbraw/zinc/74/03/28/561740328.db2.gz SSAWLODCPROYGG-VUCAYNMSSA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942856 561740319 /nfs/dbraw/zinc/74/03/19/561740319.db2.gz SSAWLODCPROYGG-GSFGBMHFSA-N 1 2 613.868 2.921 1 0 KFAFLO C[C@@H]1[C@H](OC(=O)N[C@@H](CSc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCS[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000014942856 561740318 /nfs/dbraw/zinc/74/03/18/561740318.db2.gz SSAWLODCPROYGG-GSFGBMHFSA-N 1 2 613.868 2.921 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000014943089 561740765 /nfs/dbraw/zinc/74/07/65/561740765.db2.gz USQYZVYUUXQZHL-CRNZTWHPSA-N 1 2 574.747 2.560 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@H](CO)CCc1ccccc1 ZINC000014943090 561740781 /nfs/dbraw/zinc/74/07/81/561740781.db2.gz XYMBMWROXCSVHN-MDBSOONOSA-N 1 2 588.774 2.950 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@@H](CO)CCc1ccccc1 ZINC000014943091 561740705 /nfs/dbraw/zinc/74/07/05/561740705.db2.gz XYMBMWROXCSVHN-NFFKMHHLSA-N 1 2 588.774 2.950 1 0 KFAFLO CCCC[C@@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943094 561740710 /nfs/dbraw/zinc/74/07/10/561740710.db2.gz JRGKTJWRQVHKOO-DWIHMJRXSA-N 1 2 540.730 2.507 1 0 KFAFLO CCCC[C@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943095 561740793 /nfs/dbraw/zinc/74/07/93/561740793.db2.gz JRGKTJWRQVHKOO-KEHCTXMOSA-N 1 2 540.730 2.507 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1[nH]cc[nH+]1)C(N)=O ZINC000014943391 561741641 /nfs/dbraw/zinc/74/16/41/561741641.db2.gz RZVKOIRYWQKWJR-ROHNOIKCSA-N 1 2 549.672 2.668 1 0 KFAFLO COc1cccc(OC)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944116 561742158 /nfs/dbraw/zinc/74/21/58/561742158.db2.gz JZNYVCGRZGCBKY-DENIHFKCSA-N 1 2 550.564 2.759 1 0 KFAFLO O=C(N[C@@H]1C[NH2+]C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000014944136 561742209 /nfs/dbraw/zinc/74/22/09/561742209.db2.gz OMMPHCNBAQGWDC-HYBUGGRVSA-N 1 2 528.517 2.820 1 0 KFAFLO O=C(N[C@@H]1C[NH2+]C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1 ZINC000014944141 561742139 /nfs/dbraw/zinc/74/21/39/561742139.db2.gz KTTKZYWEKGBVIX-HYBUGGRVSA-N 1 2 532.549 2.546 1 0 KFAFLO [NH3+]CCOc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944147 561742122 /nfs/dbraw/zinc/74/21/22/561742122.db2.gz KSHBJCKAAPGSEC-XMSQKQJNSA-N 1 2 536.537 2.585 1 0 KFAFLO CCCCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944169 561742336 /nfs/dbraw/zinc/74/23/36/561742336.db2.gz NXOILRDXHDPZAY-HYBUGGRVSA-N 1 2 578.574 2.624 1 0 KFAFLO CN(c1ccc(NC(=O)NCC[NH+]2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1 ZINC000014945166 561742813 /nfs/dbraw/zinc/74/28/13/561742813.db2.gz UHEFETJAUKNRQO-UHFFFAOYSA-N 1 2 539.662 2.986 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC=CC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946420 561743838 /nfs/dbraw/zinc/74/38/38/561743838.db2.gz SFWDZUDCHHDDNN-BSFSEUAMSA-N 1 2 519.598 2.556 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC=CC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946420 561743836 /nfs/dbraw/zinc/74/38/36/561743836.db2.gz SFWDZUDCHHDDNN-BSFSEUAMSA-N 1 2 519.598 2.556 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC=CC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946421 561743882 /nfs/dbraw/zinc/74/38/82/561743882.db2.gz SFWDZUDCHHDDNN-MBCHCOBRSA-N 1 2 519.598 2.556 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC=CC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946421 561743881 /nfs/dbraw/zinc/74/38/81/561743881.db2.gz SFWDZUDCHHDDNN-MBCHCOBRSA-N 1 2 519.598 2.556 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946422 561743814 /nfs/dbraw/zinc/74/38/14/561743814.db2.gz NJQZGKXPQSYAMD-BSFSEUAMSA-N 1 2 521.614 2.780 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946422 561743811 /nfs/dbraw/zinc/74/38/11/561743811.db2.gz NJQZGKXPQSYAMD-BSFSEUAMSA-N 1 2 521.614 2.780 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946423 561743820 /nfs/dbraw/zinc/74/38/20/561743820.db2.gz NJQZGKXPQSYAMD-MBCHCOBRSA-N 1 2 521.614 2.780 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946423 561743818 /nfs/dbraw/zinc/74/38/18/561743818.db2.gz NJQZGKXPQSYAMD-MBCHCOBRSA-N 1 2 521.614 2.780 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC=CCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946426 561743801 /nfs/dbraw/zinc/74/38/01/561743801.db2.gz QKSUKTASTXUREP-RKXIUHAJSA-N 1 2 533.625 2.946 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC=CCC[C@@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946426 561743799 /nfs/dbraw/zinc/74/37/99/561743799.db2.gz QKSUKTASTXUREP-RKXIUHAJSA-N 1 2 533.625 2.946 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC=CCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946427 561743872 /nfs/dbraw/zinc/74/38/72/561743872.db2.gz QKSUKTASTXUREP-BQHYLKNRSA-N 1 2 533.625 2.946 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC=CCC[C@]12C(=O)Nc1ccccc12)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946427 561743871 /nfs/dbraw/zinc/74/38/71/561743871.db2.gz QKSUKTASTXUREP-BQHYLKNRSA-N 1 2 533.625 2.946 1 0 KFAFLO CN(C(=O)[C@H](Cc1ccc([C@@H]([NH3+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000019172663 561758287 /nfs/dbraw/zinc/75/82/87/561758287.db2.gz NLMUXOPHOVYUHL-UIOOFZCWSA-N 1 2 509.676 2.941 1 0 KFAFLO CN(C(=O)[C@H](Cc1ccc([C@H]([NH3+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000019172666 561758397 /nfs/dbraw/zinc/75/83/97/561758397.db2.gz NLMUXOPHOVYUHL-IZZNHLLZSA-N 1 2 509.676 2.941 1 0 KFAFLO CN(C(=O)[C@H](Cc1ccc([C@@H]([NH3+])NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1 ZINC000019172682 561758284 /nfs/dbraw/zinc/75/82/84/561758284.db2.gz AXMQONLDXIGLCG-UIOOFZCWSA-N 1 2 513.708 2.667 1 0 KFAFLO CN(C(=O)[C@H](Cc1ccc([C@H]([NH3+])NN)cc1)NS(=O)(=O)c1ccc2c(c1)CCCCC2)C1CCCC1 ZINC000019172685 561758271 /nfs/dbraw/zinc/75/82/71/561758271.db2.gz AXMQONLDXIGLCG-IZZNHLLZSA-N 1 2 513.708 2.667 1 0 KFAFLO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000020102956 561758582 /nfs/dbraw/zinc/75/85/82/561758582.db2.gz XNALGKVPPWJYQH-UHFFFAOYSA-N 1 2 517.449 2.948 1 0 KFAFLO Nc1cc2cccc3c2c(c1)C(=O)N(CCN1CC[NH+](CCN2C(=O)c4cccc5cc(N)cc(c54)C2=O)CC1)C3=O ZINC000022863260 561759606 /nfs/dbraw/zinc/75/96/06/561759606.db2.gz VGLPNKLNRWHDQR-UHFFFAOYSA-N 1 2 562.630 2.667 1 0 KFAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc([C@@H]([NH3+])NN)cc1)C(=O)N(C)C1CCCC1 ZINC000025998320 561765210 /nfs/dbraw/zinc/76/52/10/561765210.db2.gz LZIUPSRPZFFNPG-IGKIAQTJSA-N 1 2 538.718 2.617 1 0 KFAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1ccc([C@H]([NH3+])NN)cc1)C(=O)N(C)C1CCCC1 ZINC000025998327 561765207 /nfs/dbraw/zinc/76/52/07/561765207.db2.gz LZIUPSRPZFFNPG-RPLLCQBOSA-N 1 2 538.718 2.617 1 0 KFAFLO COP(=O)(OC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026153759 561767912 /nfs/dbraw/zinc/76/79/12/561767912.db2.gz RQAGKXXVQNGWPF-WKUVLXMOSA-N 1 2 676.752 2.740 1 0 KFAFLO COP(=O)(OC)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026153759 561767909 /nfs/dbraw/zinc/76/79/09/561767909.db2.gz RQAGKXXVQNGWPF-WKUVLXMOSA-N 1 2 676.752 2.740 1 0 KFAFLO COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026153766 561767965 /nfs/dbraw/zinc/76/79/65/561767965.db2.gz RQAGKXXVQNGWPF-KFZSMJGVSA-N 1 2 676.752 2.740 1 0 KFAFLO COP(=O)(OC)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026153766 561767963 /nfs/dbraw/zinc/76/79/63/561767963.db2.gz RQAGKXXVQNGWPF-KFZSMJGVSA-N 1 2 676.752 2.740 1 0 KFAFLO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4ccccn4)cn3C)cc2)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026169205 561769587 /nfs/dbraw/zinc/76/95/87/561769587.db2.gz CJIVBSXKOYYOHV-UHFFFAOYSA-N 1 2 598.664 2.578 1 0 KFAFLO Cn1cc(NC(=O)c2nc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026172053 561770129 /nfs/dbraw/zinc/77/01/29/561770129.db2.gz XCHBUNKLGYBTMD-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)nn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026174953 561770701 /nfs/dbraw/zinc/77/07/01/561770701.db2.gz BXPNNOQWTKNDJM-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCC[NH+]3CCOCC3)n(C)n2)n(C)c1 ZINC000026176750 561770955 /nfs/dbraw/zinc/77/09/55/561770955.db2.gz GECNOZHZSFCKSQ-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)nn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026178507 561771147 /nfs/dbraw/zinc/77/11/47/561771147.db2.gz BFWUIJSCRILVPD-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2sccc2Cl)cc1C(=O)Nc1cc(C(=O)Nc2cn(C)c(C(=O)NCC[NH+]3CCOCC3)n2)n(C)c1 ZINC000026178918 561771341 /nfs/dbraw/zinc/77/13/41/561771341.db2.gz MCUJNYWHFVFUGB-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180131 561771517 /nfs/dbraw/zinc/77/15/17/561771517.db2.gz BWFCCDKJQPXGEV-UHFFFAOYSA-N 1 2 642.142 2.631 1 0 KFAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)on3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180495 561771584 /nfs/dbraw/zinc/77/15/84/561771584.db2.gz PDEQHLOINZQVST-UHFFFAOYSA-N 1 2 639.673 2.719 1 0 KFAFLO CCOC(=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 ZINC000026185509 561772534 /nfs/dbraw/zinc/77/25/34/561772534.db2.gz VYPMLUUVIPUWEX-DZUOILHNSA-N 1 2 741.916 2.731 1 0 KFAFLO CCOC(=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 ZINC000026185509 561772532 /nfs/dbraw/zinc/77/25/32/561772532.db2.gz VYPMLUUVIPUWEX-DZUOILHNSA-N 1 2 741.916 2.731 1 0 KFAFLO 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 ZINC000026248338 561773575 /nfs/dbraw/zinc/77/35/75/561773575.db2.gz ZEBZSKDNYBGBLN-FWEHEUNISA-N 1 2 669.853 2.705 1 0 KFAFLO 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 ZINC000026248338 561773573 /nfs/dbraw/zinc/77/35/73/561773573.db2.gz ZEBZSKDNYBGBLN-FWEHEUNISA-N 1 2 669.853 2.705 1 0 KFAFLO CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1 ZINC000026249925 561773901 /nfs/dbraw/zinc/77/39/01/561773901.db2.gz ISHCZZSJERQWIU-UYVIBWFJSA-N 1 2 677.865 2.796 1 0 KFAFLO CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1 ZINC000026249925 561773899 /nfs/dbraw/zinc/77/38/99/561773899.db2.gz ISHCZZSJERQWIU-UYVIBWFJSA-N 1 2 677.865 2.796 1 0 KFAFLO O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](Cc4ccc(CN5CC[NH2+]CC5)cc4)CC3)c(F)cc2c1=O ZINC000026254137 561774562 /nfs/dbraw/zinc/77/45/62/561774562.db2.gz HFPVYECPJUAGMF-UHFFFAOYSA-N 1 2 519.621 2.901 1 0 KFAFLO O=C(c1ccco1)N1CCN(c2cnn(CC[NH+]3CCN(c4ccccc4Cl)CC3)c(=O)c2Cl)CC1 ZINC000026263329 561775953 /nfs/dbraw/zinc/77/59/53/561775953.db2.gz LCRBRIXRBALAPX-UHFFFAOYSA-N 1 2 531.444 2.928 1 0 KFAFLO O=C(NCCC[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000026273634 561777772 /nfs/dbraw/zinc/77/77/72/561777772.db2.gz XCUWJUVRTCFEJC-PMERELPUSA-N 1 2 584.717 2.827 1 0 KFAFLO O=C(NCCC[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000026273643 561777776 /nfs/dbraw/zinc/77/77/76/561777776.db2.gz XCUWJUVRTCFEJC-SSEXGKCCSA-N 1 2 584.717 2.827 1 0 KFAFLO CC(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1 ZINC000026274958 561778058 /nfs/dbraw/zinc/77/80/58/561778058.db2.gz WKQCQHXLFWUDFJ-ZZDWIIDQSA-N 1 2 675.893 2.822 1 0 KFAFLO CC(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C)[C@@H](C)OCc1ccccc1 ZINC000026274958 561778056 /nfs/dbraw/zinc/77/80/56/561778056.db2.gz WKQCQHXLFWUDFJ-ZZDWIIDQSA-N 1 2 675.893 2.822 1 0 KFAFLO O=C(C1CCN(c2cc[nH+]cc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000026285778 561779735 /nfs/dbraw/zinc/77/97/35/561779735.db2.gz GJJQQXOCONOIOC-UHFFFAOYSA-N 1 2 500.518 2.989 1 0 KFAFLO CC1(C)S[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000026377038 581094705 /nfs/dbraw/zinc/09/47/05/581094705.db2.gz USQYZVYUUXQZHL-BJJDYEEQSA-N 1 2 574.747 2.560 1 0 KFAFLO CC1(C)S[C@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000026377040 581094707 /nfs/dbraw/zinc/09/47/07/581094707.db2.gz USQYZVYUUXQZHL-JDCTXFJWSA-N 1 2 574.747 2.560 1 0 KFAFLO CC1(C)S[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000026377042 581094703 /nfs/dbraw/zinc/09/47/03/581094703.db2.gz USQYZVYUUXQZHL-JBGDWIKQSA-N 1 2 574.747 2.560 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000026377044 561782363 /nfs/dbraw/zinc/78/23/63/561782363.db2.gz USQYZVYUUXQZHL-QWOIFIOOSA-N 1 2 574.747 2.560 1 0 KFAFLO CCc1cc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026378164 561782691 /nfs/dbraw/zinc/78/26/91/561782691.db2.gz BRKFGSNMJMENFB-PCYHVKPNSA-N 1 2 671.905 2.955 1 0 KFAFLO CCc1cc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)ccn1 ZINC000026378164 561782690 /nfs/dbraw/zinc/78/26/90/561782690.db2.gz BRKFGSNMJMENFB-PCYHVKPNSA-N 1 2 671.905 2.955 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383494 561783858 /nfs/dbraw/zinc/78/38/58/561783858.db2.gz SZVGGXRNUYPZQE-QEUNAIBPSA-N 1 2 654.853 2.655 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383494 561783857 /nfs/dbraw/zinc/78/38/57/561783857.db2.gz SZVGGXRNUYPZQE-QEUNAIBPSA-N 1 2 654.853 2.655 1 0 KFAFLO 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](CCc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383845 561783878 /nfs/dbraw/zinc/78/38/78/561783878.db2.gz WGCPZAUVBBFSKE-QEUNAIBPSA-N 1 2 654.853 2.703 1 0 KFAFLO 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](CCc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383845 561783877 /nfs/dbraw/zinc/78/38/77/561783877.db2.gz WGCPZAUVBBFSKE-QEUNAIBPSA-N 1 2 654.853 2.703 1 0 KFAFLO 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)N(C)C ZINC000026384290 561783999 /nfs/dbraw/zinc/78/39/99/561783999.db2.gz BUTLRPLOHRQFSC-MYHRABSESA-N 1 2 598.789 2.543 1 0 KFAFLO 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)N(C)C ZINC000026384290 561783998 /nfs/dbraw/zinc/78/39/98/561783998.db2.gz BUTLRPLOHRQFSC-MYHRABSESA-N 1 2 598.789 2.543 1 0 KFAFLO 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](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000026384724 561784131 /nfs/dbraw/zinc/78/41/31/561784131.db2.gz BZLKEVBCMKAFEF-QCZWDIFZSA-N 1 2 639.838 2.768 1 0 KFAFLO 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](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000026384724 561784130 /nfs/dbraw/zinc/78/41/30/561784130.db2.gz BZLKEVBCMKAFEF-QCZWDIFZSA-N 1 2 639.838 2.768 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(=Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026385389 561784249 /nfs/dbraw/zinc/78/42/49/561784249.db2.gz YDWHNNCMHCFRIL-ZJZJZCOZSA-N 1 2 638.810 2.743 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(=Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026385389 561784248 /nfs/dbraw/zinc/78/42/48/561784248.db2.gz YDWHNNCMHCFRIL-ZJZJZCOZSA-N 1 2 638.810 2.743 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C(=Cc1ccccc1)CC(=O)N1CCOCC1 ZINC000026385393 561784238 /nfs/dbraw/zinc/78/42/38/561784238.db2.gz YJRMSIGIZFUSEF-DIUKSWKISA-N 1 2 637.822 2.993 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C(=Cc1ccccc1)CC(=O)N1CCOCC1 ZINC000026385393 561784236 /nfs/dbraw/zinc/78/42/36/561784236.db2.gz YJRMSIGIZFUSEF-DIUKSWKISA-N 1 2 637.822 2.993 1 0 KFAFLO 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)OC(=O)N1CCOCC1 ZINC000026389016 561785201 /nfs/dbraw/zinc/78/52/01/561785201.db2.gz JLXIREFYHQBCCG-STVCLKQXSA-N 1 2 641.810 2.740 1 0 KFAFLO 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)OC(=O)N1CCOCC1 ZINC000026389016 561785200 /nfs/dbraw/zinc/78/52/00/561785200.db2.gz JLXIREFYHQBCCG-STVCLKQXSA-N 1 2 641.810 2.740 1 0 KFAFLO Cc1ccc(C[N@@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cn1 ZINC000026389767 561785466 /nfs/dbraw/zinc/78/54/66/561785466.db2.gz DGGXBEKTNLTNMJ-OXMBMXHISA-N 1 2 657.878 2.701 1 0 KFAFLO Cc1ccc(C[N@H+]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCS(=O)(=O)[C@@H]3C(C)C)[C@H](C(=O)NC(C)(C)C)C2)cn1 ZINC000026389767 561785464 /nfs/dbraw/zinc/78/54/64/561785464.db2.gz DGGXBEKTNLTNMJ-OXMBMXHISA-N 1 2 657.878 2.701 1 0 KFAFLO CC(=O)N1CC[NH+](Cc2ccc(S(=O)(=O)NCCNC(=O)C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000026468415 561789962 /nfs/dbraw/zinc/78/99/62/561789962.db2.gz YJGVAQDDIGMUQR-NDEPHWFRSA-N 1 2 688.634 2.662 1 0 KFAFLO CCOC(=O)CN1CC[NH+](C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4cccc(C(F)(F)F)c4)cc3)C(=O)O2)CC1 ZINC000026475815 561791070 /nfs/dbraw/zinc/79/10/70/561791070.db2.gz NCGBMINFKNKUPQ-JOCHJYFZSA-N 1 2 561.561 2.967 1 0 KFAFLO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026497695 561794679 /nfs/dbraw/zinc/79/46/79/561794679.db2.gz QZFMDUIJQLWDSF-VGWIIAMSSA-N 1 2 639.719 2.631 1 0 KFAFLO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026497695 561794677 /nfs/dbraw/zinc/79/46/77/561794677.db2.gz QZFMDUIJQLWDSF-VGWIIAMSSA-N 1 2 639.719 2.631 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000026501388 561795575 /nfs/dbraw/zinc/79/55/75/561795575.db2.gz VWBSXMCGLZGNHB-DTXPUJKBSA-N 1 2 621.698 2.669 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000026501388 561795573 /nfs/dbraw/zinc/79/55/73/561795573.db2.gz VWBSXMCGLZGNHB-DTXPUJKBSA-N 1 2 621.698 2.669 1 0 KFAFLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026501840 561795636 /nfs/dbraw/zinc/79/56/36/561795636.db2.gz VQXIKQVYEMDLBG-AWCRTANDSA-N 1 2 597.672 2.875 1 0 KFAFLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026501840 561795634 /nfs/dbraw/zinc/79/56/34/561795634.db2.gz VQXIKQVYEMDLBG-AWCRTANDSA-N 1 2 597.672 2.875 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026504519 561796214 /nfs/dbraw/zinc/79/62/14/561796214.db2.gz LAHLWYYVIVTLGE-DTXPUJKBSA-N 1 2 621.698 2.669 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026504519 561796212 /nfs/dbraw/zinc/79/62/12/561796212.db2.gz LAHLWYYVIVTLGE-DTXPUJKBSA-N 1 2 621.698 2.669 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026566897 561797243 /nfs/dbraw/zinc/79/72/43/561797243.db2.gz RKXHGESKEAOTMO-ZYADHFCISA-N 1 2 729.838 2.915 1 0 KFAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026566897 561797241 /nfs/dbraw/zinc/79/72/41/561797241.db2.gz RKXHGESKEAOTMO-ZYADHFCISA-N 1 2 729.838 2.915 1 0 KFAFLO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 ZINC000026575980 561799652 /nfs/dbraw/zinc/79/96/52/561799652.db2.gz UIWIBGNKCXMZLN-UIOOFZCWSA-N 1 2 548.773 2.791 1 0 KFAFLO C[NH+](C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[nH]c2=O)s1 ZINC000026576012 561799672 /nfs/dbraw/zinc/79/96/72/561799672.db2.gz OKVYOKDFBQYYIE-SGAFJUGLSA-N 1 2 524.693 2.750 1 0 KFAFLO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026576484 561800355 /nfs/dbraw/zinc/80/03/55/561800355.db2.gz DMJAKJXRBBTEDQ-UHFFFAOYSA-N 1 2 618.156 2.820 1 0 KFAFLO C[NH+](C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2=O)s1 ZINC000026577467 561801584 /nfs/dbraw/zinc/80/15/84/561801584.db2.gz GEAIAIPAHMQOLH-IDUDEYGOSA-N 1 2 518.664 2.688 1 0 KFAFLO [NH3+]CCOc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578632 561803548 /nfs/dbraw/zinc/80/35/48/561803548.db2.gz KSHBJCKAAPGSEC-PGRDOPGGSA-N 1 2 536.537 2.585 1 0 KFAFLO [NH3+]CCOc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578633 561803530 /nfs/dbraw/zinc/80/35/30/561803530.db2.gz KSHBJCKAAPGSEC-AVRDEDQJSA-N 1 2 536.537 2.585 1 0 KFAFLO [NH3+]CCOc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026578634 561803563 /nfs/dbraw/zinc/80/35/63/561803563.db2.gz KSHBJCKAAPGSEC-GCJKJVERSA-N 1 2 536.537 2.585 1 0 KFAFLO O=C(N[C@@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578965 561804068 /nfs/dbraw/zinc/80/40/68/561804068.db2.gz OMMPHCNBAQGWDC-YKSBVNFPSA-N 1 2 528.517 2.820 1 0 KFAFLO O=C(N[C@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578966 561804048 /nfs/dbraw/zinc/80/40/48/561804048.db2.gz OMMPHCNBAQGWDC-RDPSFJRHSA-N 1 2 528.517 2.820 1 0 KFAFLO O=C(N[C@H]1C[NH2+]C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc32)c(O)c1)c1ccc(O)cc1 ZINC000026578967 561804045 /nfs/dbraw/zinc/80/40/45/561804045.db2.gz OMMPHCNBAQGWDC-GBXCKJPGSA-N 1 2 528.517 2.820 1 0 KFAFLO O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCN(c4ncccn4)CC3)ccc1-2 ZINC000026579228 561804268 /nfs/dbraw/zinc/80/42/68/561804268.db2.gz OOKBCIWBXSVSRE-UHFFFAOYSA-N 1 2 646.756 2.780 1 0 KFAFLO O=C(N[C@@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1 ZINC000026639033 561806311 /nfs/dbraw/zinc/80/63/11/561806311.db2.gz KTTKZYWEKGBVIX-YKSBVNFPSA-N 1 2 532.549 2.546 1 0 KFAFLO O=C(N[C@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1 ZINC000026639039 561806389 /nfs/dbraw/zinc/80/63/89/561806389.db2.gz KTTKZYWEKGBVIX-RDPSFJRHSA-N 1 2 532.549 2.546 1 0 KFAFLO O=C(N[C@H]1C[NH2+]C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1 ZINC000026639046 561806341 /nfs/dbraw/zinc/80/63/41/561806341.db2.gz KTTKZYWEKGBVIX-GBXCKJPGSA-N 1 2 532.549 2.546 1 0 KFAFLO COc1cccc(OC)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026640783 561806650 /nfs/dbraw/zinc/80/66/50/561806650.db2.gz JZNYVCGRZGCBKY-SIKLNZKXSA-N 1 2 550.564 2.759 1 0 KFAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000026650798 561808335 /nfs/dbraw/zinc/80/83/35/561808335.db2.gz LAQXJGUAIIHFMN-DPKNHNCWSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000026650798 561808334 /nfs/dbraw/zinc/80/83/34/561808334.db2.gz LAQXJGUAIIHFMN-DPKNHNCWSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000026650804 561808319 /nfs/dbraw/zinc/80/83/19/561808319.db2.gz LAQXJGUAIIHFMN-ALXSWLNFSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000026650804 561808318 /nfs/dbraw/zinc/80/83/18/561808318.db2.gz LAQXJGUAIIHFMN-ALXSWLNFSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000026655902 561809267 /nfs/dbraw/zinc/80/92/67/561809267.db2.gz XYGPJCYTYWXAFA-BSRAHXRFSA-N 1 2 683.806 2.738 1 0 KFAFLO CC(C)OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000026655902 561809264 /nfs/dbraw/zinc/80/92/64/561809264.db2.gz XYGPJCYTYWXAFA-BSRAHXRFSA-N 1 2 683.806 2.738 1 0 KFAFLO CC(C)OC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000026655907 561809256 /nfs/dbraw/zinc/80/92/56/561809256.db2.gz XYGPJCYTYWXAFA-IYGIBWMDSA-N 1 2 683.806 2.738 1 0 KFAFLO CC(C)OC(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21 ZINC000026655907 561809255 /nfs/dbraw/zinc/80/92/55/561809255.db2.gz XYGPJCYTYWXAFA-IYGIBWMDSA-N 1 2 683.806 2.738 1 0 KFAFLO O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)N1CCOCC1 ZINC000026671902 561812677 /nfs/dbraw/zinc/81/26/77/561812677.db2.gz ANIGPMUHHIUEKJ-DIIQFSBDSA-N 1 2 688.870 2.750 1 0 KFAFLO O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1)N1CCOCC1 ZINC000026671902 561812676 /nfs/dbraw/zinc/81/26/76/561812676.db2.gz ANIGPMUHHIUEKJ-DIIQFSBDSA-N 1 2 688.870 2.750 1 0 KFAFLO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000026716152 561814244 /nfs/dbraw/zinc/81/42/44/561814244.db2.gz BVKOLKJKMVRTSB-KQLGDFJMSA-N 1 2 654.849 2.682 1 0 KFAFLO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000026716156 561814173 /nfs/dbraw/zinc/81/41/73/561814173.db2.gz BVKOLKJKMVRTSB-LIRVCHIBSA-N 1 2 654.849 2.682 1 0 KFAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[NH+]4CCOCC4)cc(=O)oc3c2C)OC1(C)C ZINC000026723067 561815529 /nfs/dbraw/zinc/81/55/29/561815529.db2.gz ZMSFRIPMEFSKFC-SQCBCDKRSA-N 1 2 586.638 2.564 1 0 KFAFLO CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000026738392 561817795 /nfs/dbraw/zinc/81/77/95/561817795.db2.gz GGTXGRWUWSFTKQ-OAQYLSRUSA-N 1 2 562.117 2.541 1 0 KFAFLO CN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000026738392 561817793 /nfs/dbraw/zinc/81/77/93/561817793.db2.gz GGTXGRWUWSFTKQ-OAQYLSRUSA-N 1 2 562.117 2.541 1 0 KFAFLO CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000026748637 561819202 /nfs/dbraw/zinc/81/92/02/561819202.db2.gz QWXSOLJLDGVQNB-QFIPXVFZSA-N 1 2 576.144 2.978 1 0 KFAFLO CC(C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000026748637 561819201 /nfs/dbraw/zinc/81/92/01/561819201.db2.gz QWXSOLJLDGVQNB-QFIPXVFZSA-N 1 2 576.144 2.978 1 0 KFAFLO CC(C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000026748642 561819231 /nfs/dbraw/zinc/81/92/31/561819231.db2.gz QWXSOLJLDGVQNB-JOCHJYFZSA-N 1 2 576.144 2.978 1 0 KFAFLO 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CCOC(=O)c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)c2cc(N3CC[NH+](C)CC3)c(F)cc2c1=O ZINC000027426509 561858552 /nfs/dbraw/zinc/85/85/52/561858552.db2.gz WRXXAYOEKLKCIX-IBGZPJMESA-N 1 2 583.592 2.659 1 0 KFAFLO Nc1nc(C[C@@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)[nH+]c(NC2Cc3ccccc3C2)n1 ZINC000027437150 561860306 /nfs/dbraw/zinc/86/03/06/561860306.db2.gz CZSYFYKSLPZYIO-PABCKOPISA-N 1 2 514.051 2.652 1 0 KFAFLO Nc1nc(NC2Cc3ccccc3C2)nc(C[C@@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)[nH+]1 ZINC000027437150 561860303 /nfs/dbraw/zinc/86/03/03/561860303.db2.gz CZSYFYKSLPZYIO-PABCKOPISA-N 1 2 514.051 2.652 1 0 KFAFLO Nc1nc(C[C@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)[nH+]c(NC2Cc3ccccc3C2)n1 ZINC000027437154 561860373 /nfs/dbraw/zinc/86/03/73/561860373.db2.gz CZSYFYKSLPZYIO-YXPKMTABSA-N 1 2 514.051 2.652 1 0 KFAFLO Nc1nc(NC2Cc3ccccc3C2)nc(C[C@H]2O[C@H](CSCc3ccc(Cl)cc3)[C@@H](O)[C@H]2O)[nH+]1 ZINC000027437154 561860371 /nfs/dbraw/zinc/86/03/71/561860371.db2.gz CZSYFYKSLPZYIO-YXPKMTABSA-N 1 2 514.051 2.652 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000027522704 561864643 /nfs/dbraw/zinc/86/46/43/561864643.db2.gz DSZGOKARGFBAHP-YVNNRUMDSA-N 1 2 653.865 2.778 1 0 KFAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000027524025 561865422 /nfs/dbraw/zinc/86/54/22/561865422.db2.gz QYECWSWYOHXQPJ-WJUOLASASA-N 1 2 639.838 2.699 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027562702 561871036 /nfs/dbraw/zinc/87/10/36/561871036.db2.gz RKIFFDNMEAOXHM-DBJAASCVSA-N 1 2 649.236 2.915 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2cccc(Cl)c2C[C@H]1O ZINC000027562702 561871034 /nfs/dbraw/zinc/87/10/34/561871034.db2.gz RKIFFDNMEAOXHM-DBJAASCVSA-N 1 2 649.236 2.915 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)C[N@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563301 561871397 /nfs/dbraw/zinc/87/13/97/561871397.db2.gz LNPHIOMCOASJCF-JBVVTXKKSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563301 561871395 /nfs/dbraw/zinc/87/13/95/561871395.db2.gz LNPHIOMCOASJCF-JBVVTXKKSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563301 561871393 /nfs/dbraw/zinc/87/13/93/561871393.db2.gz LNPHIOMCOASJCF-JBVVTXKKSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563301 561871391 /nfs/dbraw/zinc/87/13/91/561871391.db2.gz LNPHIOMCOASJCF-JBVVTXKKSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)C[N@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563304 561871371 /nfs/dbraw/zinc/87/13/71/561871371.db2.gz LNPHIOMCOASJCF-KPRVNNOFSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563304 561871369 /nfs/dbraw/zinc/87/13/69/561871369.db2.gz LNPHIOMCOASJCF-KPRVNNOFSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563304 561871367 /nfs/dbraw/zinc/87/13/67/561871367.db2.gz LNPHIOMCOASJCF-KPRVNNOFSA-N 1 2 597.776 2.507 1 0 KFAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccc(F)cc1)C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027563304 561871365 /nfs/dbraw/zinc/87/13/65/561871365.db2.gz LNPHIOMCOASJCF-KPRVNNOFSA-N 1 2 597.776 2.507 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O ZINC000027624158 561872906 /nfs/dbraw/zinc/87/29/06/561872906.db2.gz OIRAUZNFSQUBAZ-DUYFQHRWSA-N 1 2 595.760 2.563 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CC1)C(=O)N[C@H]1c2cccc(F)c2C[C@H]1O ZINC000027624158 561872904 /nfs/dbraw/zinc/87/29/04/561872904.db2.gz OIRAUZNFSQUBAZ-DUYFQHRWSA-N 1 2 595.760 2.563 1 0 KFAFLO CC[NH+](CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C ZINC000027642587 561875482 /nfs/dbraw/zinc/87/54/82/561875482.db2.gz WWZIAYWNIGKIJW-GRDZGFKTSA-N 1 2 610.887 2.903 1 0 KFAFLO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc(F)c(F)cc1N1CC[NH+](CCO)CC1 ZINC000027656324 561877637 /nfs/dbraw/zinc/87/76/37/561877637.db2.gz GNMHZXHBDNRMPA-FQRUVTKNSA-N 1 2 552.663 2.837 1 0 KFAFLO CCOC(=O)C[C@@H](NC(=O)c1ccc(NCc2ccc3[nH+]c(N)nc(N)c3c2Cl)cc1)C(=O)OCC ZINC000027657603 561878088 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COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000027754811 561883452 /nfs/dbraw/zinc/88/34/52/561883452.db2.gz JNHZXGXHSIXVBS-LHGVVLJVSA-N 1 2 619.763 2.917 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000027754811 561883450 /nfs/dbraw/zinc/88/34/50/561883450.db2.gz JNHZXGXHSIXVBS-LHGVVLJVSA-N 1 2 619.763 2.917 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C ZINC000027756228 561883625 /nfs/dbraw/zinc/88/36/25/561883625.db2.gz UXEBFVSPJTVVLH-QVEYCFQASA-N 1 2 663.816 2.932 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C ZINC000027756228 561883624 /nfs/dbraw/zinc/88/36/24/561883624.db2.gz UXEBFVSPJTVVLH-QVEYCFQASA-N 1 2 663.816 2.932 1 0 KFAFLO CC(C)c1cc(O)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CC[NH+](C)CC3)c1Cl)S2(=O)=O 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/nfs/dbraw/zinc/93/11/98/561931198.db2.gz HZBIYAYMRFNKDR-UHFFFAOYSA-N 1 2 510.620 2.660 1 0 KFAFLO O[C@](Cn1cncn1)(C[NH+]1CCN(Cc2cccc(I)c2)CC1)c1ccc(F)cc1F ZINC000028571045 561939122 /nfs/dbraw/zinc/93/91/22/561939122.db2.gz RAFKXEPCOMBLFS-QFIPXVFZSA-N 1 2 539.368 2.867 1 0 KFAFLO O[C@@](Cn1cncn1)(C[NH+]1CCN(Cc2cccc(I)c2)CC1)c1ccc(F)cc1F ZINC000028571046 561939129 /nfs/dbraw/zinc/93/91/29/561939129.db2.gz RAFKXEPCOMBLFS-JOCHJYFZSA-N 1 2 539.368 2.867 1 0 KFAFLO O[C@](Cn1cncn1)(C[NH+]1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1F ZINC000028572189 561939781 /nfs/dbraw/zinc/93/97/81/561939781.db2.gz ZCMADSCTBVVTRQ-QFIPXVFZSA-N 1 2 539.368 2.867 1 0 KFAFLO O[C@@](Cn1cncn1)(C[NH+]1CCN(Cc2ccc(I)cc2)CC1)c1ccc(F)cc1F ZINC000028572190 561939745 /nfs/dbraw/zinc/93/97/45/561939745.db2.gz ZCMADSCTBVVTRQ-JOCHJYFZSA-N 1 2 539.368 2.867 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH]c[nH+]2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000028572339 561940028 /nfs/dbraw/zinc/94/00/28/561940028.db2.gz RXGRTVPDLCLHHK-WXVAWEFUSA-N 1 2 537.642 2.696 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH+]c[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000028572339 561940026 /nfs/dbraw/zinc/94/00/26/561940026.db2.gz RXGRTVPDLCLHHK-WXVAWEFUSA-N 1 2 537.642 2.696 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH]c[nH+]2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000028572340 561940045 /nfs/dbraw/zinc/94/00/45/561940045.db2.gz RXGRTVPDLCLHHK-CUNXSJBXSA-N 1 2 537.642 2.696 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(CCc2c[nH+]c[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000028572340 561940043 /nfs/dbraw/zinc/94/00/43/561940043.db2.gz RXGRTVPDLCLHHK-CUNXSJBXSA-N 1 2 537.642 2.696 1 0 KFAFLO Cn1nc(C(F)(F)F)c(C[N@H+]2CCN3C[C@@H](CNc4nc5nc(-c6ccco6)nn5c(N)n4)CC[C@@H]3C2)c1Cl ZINC000028635723 561941175 /nfs/dbraw/zinc/94/11/75/561941175.db2.gz ANYPNSMNRSQVDF-ZIAGYGMSSA-N 1 2 565.992 2.776 1 0 KFAFLO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCN3C[C@@H](CNc4nc5nc(-c6ccco6)nn5c(N)n4)CC[C@@H]3C2)c1Cl ZINC000028635723 561941173 /nfs/dbraw/zinc/94/11/73/561941173.db2.gz ANYPNSMNRSQVDF-ZIAGYGMSSA-N 1 2 565.992 2.776 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4NS(C)(=O)=O)cc[nH]c3=O)[nH]c21 ZINC000028703496 561947750 /nfs/dbraw/zinc/94/77/50/561947750.db2.gz JWXGLLDOYYMWJF-OAQYLSRUSA-N 1 2 519.587 2.929 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@H](O)c4ccccc4NS(C)(=O)=O)cc[nH]c3=O)[nH]c21 ZINC000028703497 561947756 /nfs/dbraw/zinc/94/77/56/561947756.db2.gz JWXGLLDOYYMWJF-NRFANRHFSA-N 1 2 519.587 2.929 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@@H](O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)[nH]c21 ZINC000028703520 561947733 /nfs/dbraw/zinc/94/77/33/561947733.db2.gz ITOBIOBRLRLTTQ-OAQYLSRUSA-N 1 2 519.587 2.929 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@H](O)c4cccc(NS(C)(=O)=O)c4)cc[nH]c3=O)[nH]c21 ZINC000028703522 561947725 /nfs/dbraw/zinc/94/77/25/561947725.db2.gz ITOBIOBRLRLTTQ-NRFANRHFSA-N 1 2 519.587 2.929 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@@H](O)c4ccc(NS(C)(=O)=O)cc4)cc[nH]c3=O)[nH]c21 ZINC000028703547 561947722 /nfs/dbraw/zinc/94/77/22/561947722.db2.gz GTKSBZJIGPPPTB-OAQYLSRUSA-N 1 2 519.587 2.929 1 0 KFAFLO Cc1cc(-n2cc[nH+]c2)cc2nc(-c3c(NC[C@H](O)c4ccc(NS(C)(=O)=O)cc4)cc[nH]c3=O)[nH]c21 ZINC000028703548 561947735 /nfs/dbraw/zinc/94/77/35/561947735.db2.gz GTKSBZJIGPPPTB-NRFANRHFSA-N 1 2 519.587 2.929 1 0 KFAFLO O=C(OCC[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000028704190 561948351 /nfs/dbraw/zinc/94/83/51/561948351.db2.gz RMCWAUUWUHKEKV-NRFANRHFSA-N 1 2 508.040 2.987 1 0 KFAFLO O=C(OCC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000028704193 561948400 /nfs/dbraw/zinc/94/84/00/561948400.db2.gz RMCWAUUWUHKEKV-OAQYLSRUSA-N 1 2 508.040 2.987 1 0 KFAFLO O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000028704283 561948556 /nfs/dbraw/zinc/94/85/56/561948556.db2.gz XEFMRJOPPTYVAW-GGAORHGYSA-N 1 2 508.040 2.981 1 0 KFAFLO COc1cc2cc(C(=O)N3CC[NH+](CCO)CC3)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000028756573 561956373 /nfs/dbraw/zinc/95/63/73/561956373.db2.gz RTLVAGXXNWRHIS-UHFFFAOYSA-N 1 2 540.613 2.792 1 0 KFAFLO COC(=O)c1c(C(=O)N2CC[NH+](CCO)CC2)cc2cc(OC)c(OC)cc2c1-c1cc(N)c(OC)c(OC)c1 ZINC000028756723 561956470 /nfs/dbraw/zinc/95/64/70/561956470.db2.gz QMHHXWUJQMGJMU-UHFFFAOYSA-N 1 2 553.612 2.660 1 0 KFAFLO COC(=O)CN([C@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)c[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816031 561963770 /nfs/dbraw/zinc/96/37/70/561963770.db2.gz WOTPDTDIGSXJJW-DEOSSOPVSA-N 1 2 534.642 2.616 1 0 KFAFLO COC(=O)CN([C@@H]1Cc2cc(-c3ccccc3)ccc2N(Cc2cn(C)c[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000028816033 561963789 /nfs/dbraw/zinc/96/37/89/561963789.db2.gz WOTPDTDIGSXJJW-XMMPIXPASA-N 1 2 534.642 2.616 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816111 561963920 /nfs/dbraw/zinc/96/39/20/561963920.db2.gz UDXSLPVNYJOUCH-VWLOTQADSA-N 1 2 624.812 2.753 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)NC4CCCCC4)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816113 561963911 /nfs/dbraw/zinc/96/39/11/561963911.db2.gz UDXSLPVNYJOUCH-RUZDIDTESA-N 1 2 624.812 2.753 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)NCc4ccccc4)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816126 561963928 /nfs/dbraw/zinc/96/39/28/561963928.db2.gz XLMBKBBMRJCKLV-SANMLTNESA-N 1 2 632.791 2.621 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)NCc4ccccc4)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816128 561963916 /nfs/dbraw/zinc/96/39/16/561963916.db2.gz XLMBKBBMRJCKLV-AREMUKBSSA-N 1 2 632.791 2.621 1 0 KFAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](CNc2ncccn2)NC1=O ZINC000028823459 561968188 /nfs/dbraw/zinc/96/81/88/561968188.db2.gz XMNRRUOHRJXJDV-FULLSBAXSA-N 1 2 655.722 2.875 1 0 KFAFLO Cc1cnnn1C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000028823469 561968192 /nfs/dbraw/zinc/96/81/92/561968192.db2.gz RHMBCCONNACJFV-FULLSBAXSA-N 1 2 643.711 2.573 1 0 KFAFLO Cc1nnn(C[C@@H]2NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)[NH2+]CCOc3ccccc3CCCNC2=O)c1C ZINC000028823470 561968184 /nfs/dbraw/zinc/96/81/84/561968184.db2.gz NFDQGTPOMHRTLM-IUAQSZDVSA-N 1 2 657.738 2.882 1 0 KFAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](Cn2cccn2)NC1=O ZINC000028823472 561968211 /nfs/dbraw/zinc/96/82/11/561968211.db2.gz WIDBVUQLEVBIGW-FULLSBAXSA-N 1 2 595.144 2.504 1 0 KFAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2cc[nH+]c2)NC1=O ZINC000028823473 561968278 /nfs/dbraw/zinc/96/82/78/561968278.db2.gz OJANYNHKONQMSR-FULLSBAXSA-N 1 2 595.144 2.504 1 0 KFAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(F)c2)[NH2+]CCOc2ccccc2CCCNC(=O)[C@H](Cc2cscn2)NC1=O ZINC000028823474 561968220 /nfs/dbraw/zinc/96/82/20/561968220.db2.gz KFWWTCXENVBKIA-FULLSBAXSA-N 1 2 595.741 2.793 1 0 KFAFLO O=C(OC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](CCO)CC1 ZINC000028827227 561971559 /nfs/dbraw/zinc/97/15/59/561971559.db2.gz MZAPDYQWIGAEQO-FCHUYYIVSA-N 1 2 512.072 2.941 1 0 KFAFLO CC[C@@H]1CCC[C@H](C2(OC(=O)N3CC[NH+](CCO)CC3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827228 561971604 /nfs/dbraw/zinc/97/16/04/561971604.db2.gz DJWUDIFTUQYCIR-TZIWHRDSSA-N 1 2 500.061 2.941 1 0 KFAFLO COc1ccc(Cn2c3[nH]c(Cc4c[nH+]cc5cc(OC)c(OC)cc54)nc3c(=O)n(C)c2=O)cc1OC ZINC000028882023 561977138 /nfs/dbraw/zinc/97/71/38/561977138.db2.gz GASIRQXRLNVZSO-UHFFFAOYSA-N 1 2 517.542 2.645 1 0 KFAFLO COc1cc2c[nH+]cc(Cc3nc4c([nH]3)n(Cc3ccc(NC(C)=O)cc3)c(=O)n(C)c4=O)c2cc1OC ZINC000028882038 561977116 /nfs/dbraw/zinc/97/71/16/561977116.db2.gz OSEDHANUBVQCTB-UHFFFAOYSA-N 1 2 514.542 2.586 1 0 KFAFLO COc1cc2c[nH+]cc(Cc3nc4c([nH]3)n(Cc3ccc(NS(=O)(=O)C(C)C)cc3)c(=O)n(C)c4=O)c2cc1OC ZINC000028882057 561977092 /nfs/dbraw/zinc/97/70/92/561977092.db2.gz WBRMBHGVOUPISJ-UHFFFAOYSA-N 1 2 578.651 2.778 1 0 KFAFLO Cc1cc(COc2ccc(C(=O)NCC3(N4CC[NH+](C(C)C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892637 561978493 /nfs/dbraw/zinc/97/84/93/561978493.db2.gz NIJRSBKAMIDLFF-UHFFFAOYSA-N 1 2 558.639 2.823 1 0 KFAFLO CN1CC[NH2+][C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028949897 561981072 /nfs/dbraw/zinc/98/10/72/561981072.db2.gz YDGSHFJUSTYFRE-IZZNHLLZSA-N 1 2 557.755 2.860 1 0 KFAFLO CN1CC[NH2+][C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)([C@H]3C=CCCC3)CC2)C1 ZINC000028949913 561981116 /nfs/dbraw/zinc/98/11/16/561981116.db2.gz JIITXTWOEYNJJB-AYRHNUGRSA-N 1 2 555.739 2.636 1 0 KFAFLO CN1CC[NH2+][C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)([C@@H]3C=CCCC3)CC2)C1 ZINC000028949915 561981137 /nfs/dbraw/zinc/98/11/37/561981137.db2.gz JIITXTWOEYNJJB-DMTNHVFBSA-N 1 2 555.739 2.636 1 0 KFAFLO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)C1=O ZINC000028952554 561982105 /nfs/dbraw/zinc/98/21/05/561982105.db2.gz FQZCADRHQRKIJZ-OFNKIYASSA-N 1 2 502.575 2.802 1 0 KFAFLO CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)C1=O ZINC000028952554 561982103 /nfs/dbraw/zinc/98/21/03/561982103.db2.gz FQZCADRHQRKIJZ-OFNKIYASSA-N 1 2 502.575 2.802 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@@H]2Cc3cc(Br)ccc3N(Cc3c[nH+]cn3C)C2=O)c1 ZINC000028965388 561984839 /nfs/dbraw/zinc/98/48/39/561984839.db2.gz COAIFQOAJIXUQV-XMMPIXPASA-N 1 2 647.577 2.669 1 0 KFAFLO Cn1cnc(S(=O)(=O)N(Cc2ccc(S(C)(=O)=O)cc2)[C@H]2Cc3cc(Br)ccc3N(Cc3c[nH+]cn3C)C2=O)c1 ZINC000028965394 561984897 /nfs/dbraw/zinc/98/48/97/561984897.db2.gz COAIFQOAJIXUQV-DEOSSOPVSA-N 1 2 647.577 2.669 1 0 KFAFLO CNC(=O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056367 561995052 /nfs/dbraw/zinc/99/50/52/561995052.db2.gz FNZASHSMTSVPGT-UHFFFAOYSA-N 1 2 554.072 2.942 1 0 KFAFLO NC(=O)Cc1cn2c(cccc2N2CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)[nH+]1 ZINC000029056371 561995049 /nfs/dbraw/zinc/99/50/49/561995049.db2.gz YUOCGAKLLPWDIP-UHFFFAOYSA-N 1 2 540.045 2.681 1 0 KFAFLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000029127693 562000230 /nfs/dbraw/zinc/00/02/30/562000230.db2.gz CTLXKJIPWXBOCN-YMSRPXOMSA-N 1 2 529.703 2.561 1 0 KFAFLO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000029127693 562000228 /nfs/dbraw/zinc/00/02/28/562000228.db2.gz CTLXKJIPWXBOCN-YMSRPXOMSA-N 1 2 529.703 2.561 1 0 KFAFLO CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128356 562000860 /nfs/dbraw/zinc/00/08/60/562000860.db2.gz GWBGYFMKMILOEX-FXAWDEMLSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128356 562000858 /nfs/dbraw/zinc/00/08/58/562000858.db2.gz GWBGYFMKMILOEX-FXAWDEMLSA-N 1 2 544.081 2.598 1 0 KFAFLO CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128358 562000830 /nfs/dbraw/zinc/00/08/30/562000830.db2.gz FYDZQEXUUIMLEQ-FXAWDEMLSA-N 1 2 544.081 2.550 1 0 KFAFLO CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128358 562000828 /nfs/dbraw/zinc/00/08/28/562000828.db2.gz FYDZQEXUUIMLEQ-FXAWDEMLSA-N 1 2 544.081 2.550 1 0 KFAFLO CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128401 562000911 /nfs/dbraw/zinc/00/09/11/562000911.db2.gz RAMXCQDJYLSGRA-FXAWDEMLSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128401 562000909 /nfs/dbraw/zinc/00/09/09/562000909.db2.gz RAMXCQDJYLSGRA-FXAWDEMLSA-N 1 2 529.066 2.805 1 0 KFAFLO C[NH+]1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 ZINC000029128718 562001184 /nfs/dbraw/zinc/00/11/84/562001184.db2.gz JGESVFFMSKZGDK-UHFFFAOYSA-N 1 2 519.023 2.974 1 0 KFAFLO CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128801 562001230 /nfs/dbraw/zinc/00/12/30/562001230.db2.gz GWBGYFMKMILOEX-XLIONFOSSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128801 562001228 /nfs/dbraw/zinc/00/12/28/562001228.db2.gz GWBGYFMKMILOEX-XLIONFOSSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128802 562001302 /nfs/dbraw/zinc/00/13/02/562001302.db2.gz GWBGYFMKMILOEX-PXNSSMCTSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128802 562001301 /nfs/dbraw/zinc/00/13/01/562001301.db2.gz GWBGYFMKMILOEX-PXNSSMCTSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128803 562001240 /nfs/dbraw/zinc/00/12/40/562001240.db2.gz GWBGYFMKMILOEX-YLJYHZDGSA-N 1 2 544.081 2.598 1 0 KFAFLO CCNC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128803 562001239 /nfs/dbraw/zinc/00/12/39/562001239.db2.gz GWBGYFMKMILOEX-YLJYHZDGSA-N 1 2 544.081 2.598 1 0 KFAFLO CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128807 562001314 /nfs/dbraw/zinc/00/13/14/562001314.db2.gz FYDZQEXUUIMLEQ-PXNSSMCTSA-N 1 2 544.081 2.550 1 0 KFAFLO CN(C)C(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128807 562001312 /nfs/dbraw/zinc/00/13/12/562001312.db2.gz FYDZQEXUUIMLEQ-PXNSSMCTSA-N 1 2 544.081 2.550 1 0 KFAFLO CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128851 562001223 /nfs/dbraw/zinc/00/12/23/562001223.db2.gz RAMXCQDJYLSGRA-XLIONFOSSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128851 562001221 /nfs/dbraw/zinc/00/12/21/562001221.db2.gz RAMXCQDJYLSGRA-XLIONFOSSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128852 562001257 /nfs/dbraw/zinc/00/12/57/562001257.db2.gz RAMXCQDJYLSGRA-PXNSSMCTSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128852 562001255 /nfs/dbraw/zinc/00/12/55/562001255.db2.gz RAMXCQDJYLSGRA-PXNSSMCTSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128853 562001308 /nfs/dbraw/zinc/00/13/08/562001308.db2.gz RAMXCQDJYLSGRA-YLJYHZDGSA-N 1 2 529.066 2.805 1 0 KFAFLO CCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128853 562001306 /nfs/dbraw/zinc/00/13/06/562001306.db2.gz RAMXCQDJYLSGRA-YLJYHZDGSA-N 1 2 529.066 2.805 1 0 KFAFLO COCC[N@H+]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000029129061 562001632 /nfs/dbraw/zinc/00/16/32/562001632.db2.gz PISDRYDPMHRPDI-GHTZIAJQSA-N 1 2 531.082 2.515 1 0 KFAFLO COCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000029129061 562001631 /nfs/dbraw/zinc/00/16/31/562001631.db2.gz PISDRYDPMHRPDI-GHTZIAJQSA-N 1 2 531.082 2.515 1 0 KFAFLO O=C(N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)N1CCN(c2cccc[nH+]2)CC1)NC1N=NC(=S)S1 ZINC000029329442 562013732 /nfs/dbraw/zinc/01/37/32/562013732.db2.gz OHBSIIOTSUMCLG-NSHDSACASA-N 1 2 559.546 2.999 1 0 KFAFLO CN1C[C@@H]([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)OC1=O ZINC000029329821 562013740 /nfs/dbraw/zinc/01/37/40/562013740.db2.gz ZRAZVNVATHTTIC-OBBCHVIHSA-N 1 2 640.782 2.840 1 0 KFAFLO CN1C[C@@H]([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)OC1=O ZINC000029329821 562013739 /nfs/dbraw/zinc/01/37/39/562013739.db2.gz ZRAZVNVATHTTIC-OBBCHVIHSA-N 1 2 640.782 2.840 1 0 KFAFLO CON1C[C@@H]([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)OC1=O ZINC000029329831 562013726 /nfs/dbraw/zinc/01/37/26/562013726.db2.gz PKTPYJKZNRWOPT-OBBCHVIHSA-N 1 2 656.781 2.771 1 0 KFAFLO CON1C[C@@H]([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)OC1=O ZINC000029329831 562013725 /nfs/dbraw/zinc/01/37/25/562013725.db2.gz PKTPYJKZNRWOPT-OBBCHVIHSA-N 1 2 656.781 2.771 1 0 KFAFLO CCN1C[C@@H]([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)NC1=O ZINC000029342762 562015574 /nfs/dbraw/zinc/01/55/74/562015574.db2.gz PHSCYXHYNYENOQ-MYHRABSESA-N 1 2 653.825 2.803 1 0 KFAFLO CCN1C[C@@H]([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)NC1=O ZINC000029342762 562015573 /nfs/dbraw/zinc/01/55/73/562015573.db2.gz PHSCYXHYNYENOQ-MYHRABSESA-N 1 2 653.825 2.803 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1 ZINC000029343183 562015783 /nfs/dbraw/zinc/01/57/83/562015783.db2.gz NCXLMUDYABILBF-OBBCHVIHSA-N 1 2 640.782 2.888 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCNC(=O)O1 ZINC000029343183 562015782 /nfs/dbraw/zinc/01/57/82/562015782.db2.gz NCXLMUDYABILBF-OBBCHVIHSA-N 1 2 640.782 2.888 1 0 KFAFLO 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)CS(=O)(=O)CC(C)C ZINC000029343262 562015772 /nfs/dbraw/zinc/01/57/72/562015772.db2.gz GGJQHHDYMXXKAP-LGTXBLIGSA-N 1 2 635.828 2.536 1 0 KFAFLO 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)CS(=O)(=O)CC(C)C ZINC000029343262 562015770 /nfs/dbraw/zinc/01/57/70/562015770.db2.gz GGJQHHDYMXXKAP-LGTXBLIGSA-N 1 2 635.828 2.536 1 0 KFAFLO 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)COC(C)C ZINC000029343274 562015732 /nfs/dbraw/zinc/01/57/32/562015732.db2.gz HOFGDBTZCYBJSI-KEVKATSASA-N 1 2 573.735 2.890 1 0 KFAFLO 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)COC(C)C ZINC000029343274 562015730 /nfs/dbraw/zinc/01/57/30/562015730.db2.gz HOFGDBTZCYBJSI-KEVKATSASA-N 1 2 573.735 2.890 1 0 KFAFLO CC(C)CCS(=O)(=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 ZINC000029397044 562018848 /nfs/dbraw/zinc/01/88/48/562018848.db2.gz ALPWRSQIBZHTHM-WXIAYYLYSA-N 1 2 649.855 2.926 1 0 KFAFLO CC(C)CCS(=O)(=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 ZINC000029397044 562018847 /nfs/dbraw/zinc/01/88/47/562018847.db2.gz ALPWRSQIBZHTHM-WXIAYYLYSA-N 1 2 649.855 2.926 1 0 KFAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCS(=O)(=O)C(C)C ZINC000029465397 562024222 /nfs/dbraw/zinc/02/42/22/562024222.db2.gz ANXBKJHIJWQCHH-DZUOILHNSA-N 1 2 647.839 2.824 1 0 KFAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCS(=O)(=O)C(C)C ZINC000029465397 562024220 /nfs/dbraw/zinc/02/42/20/562024220.db2.gz ANXBKJHIJWQCHH-DZUOILHNSA-N 1 2 647.839 2.824 1 0 KFAFLO COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469755 562025358 /nfs/dbraw/zinc/02/53/58/562025358.db2.gz PEZLAFKDOMGSEL-KSFYIVLOSA-N 1 2 507.495 2.514 1 0 KFAFLO COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2C[NH2+]C[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469759 562025292 /nfs/dbraw/zinc/02/52/92/562025292.db2.gz PEZLAFKDOMGSEL-AOMKIAJQSA-N 1 2 507.495 2.514 1 0 KFAFLO COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2C[NH2+]C[C@H]2Cc2ccc(O)cc2)cc1O ZINC000029469765 562025277 /nfs/dbraw/zinc/02/52/77/562025277.db2.gz PEZLAFKDOMGSEL-ZHRRBRCNSA-N 1 2 507.495 2.514 1 0 KFAFLO CCOC(=O)CCCCn1c2ccsc2c(=O)n(CC[NH+]2CCN(c3ccccc3OC)CC2)c1=O ZINC000029479081 562026897 /nfs/dbraw/zinc/02/68/97/562026897.db2.gz GGDIFFLYPNXZQS-UHFFFAOYSA-N 1 2 514.648 2.789 1 0 KFAFLO COc1ccc(C(=O)n2c3cscc3c(=O)n(CC[NH+]3CCN(c4ccccc4OC)CC3)c2=O)cc1 ZINC000029480137 562027073 /nfs/dbraw/zinc/02/70/73/562027073.db2.gz UTYJNSWVFSDQFR-UHFFFAOYSA-N 1 2 520.611 2.753 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2cccnc2[nH]1 ZINC000029488629 562028993 /nfs/dbraw/zinc/02/89/93/562028993.db2.gz CSXSYYXSDINJPJ-LFBFJMOVSA-N 1 2 524.666 2.850 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2cccnc2[nH]1 ZINC000029488629 562028992 /nfs/dbraw/zinc/02/89/92/562028992.db2.gz CSXSYYXSDINJPJ-LFBFJMOVSA-N 1 2 524.666 2.850 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc2ccccc2[nH]1 ZINC000029489569 562029184 /nfs/dbraw/zinc/02/91/84/562029184.db2.gz BMAKJXIKYPDIHI-QORCZRPOSA-N 1 2 524.666 2.850 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc2ccccc2[nH]1 ZINC000029489569 562029183 /nfs/dbraw/zinc/02/91/83/562029183.db2.gz BMAKJXIKYPDIHI-QORCZRPOSA-N 1 2 524.666 2.850 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Cc2ccccc2N1 ZINC000029548916 562030609 /nfs/dbraw/zinc/03/06/09/562030609.db2.gz DICOSGSZTYGFQB-IRGGMKSGSA-N 1 2 525.694 2.697 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1Cc2ccccc2N1 ZINC000029548916 562030607 /nfs/dbraw/zinc/03/06/07/562030607.db2.gz DICOSGSZTYGFQB-IRGGMKSGSA-N 1 2 525.694 2.697 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1Cc2ccccc2N1 ZINC000029548920 562030592 /nfs/dbraw/zinc/03/05/92/562030592.db2.gz DICOSGSZTYGFQB-YUDMECHNSA-N 1 2 525.694 2.697 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1Cc2ccccc2N1 ZINC000029548920 562030590 /nfs/dbraw/zinc/03/05/90/562030590.db2.gz DICOSGSZTYGFQB-YUDMECHNSA-N 1 2 525.694 2.697 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000029553613 562031590 /nfs/dbraw/zinc/03/15/90/562031590.db2.gz XCMSMCVNTJWVOL-MNUOIFNESA-N 1 2 551.688 2.815 1 0 KFAFLO CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000029553613 562031588 /nfs/dbraw/zinc/03/15/88/562031588.db2.gz XCMSMCVNTJWVOL-MNUOIFNESA-N 1 2 551.688 2.815 1 0 KFAFLO O=C(Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000029559326 562032809 /nfs/dbraw/zinc/03/28/09/562032809.db2.gz SUZWWHNGHBKGBJ-UHFFFAOYSA-N 1 2 531.617 2.799 1 0 KFAFLO CCC(=O)N1CCN(c2ccc(NC(=O)c3cc(=O)c4cc(F)cc(N5CC[NH+](C)CC5)c4o3)cc2)CC1 ZINC000033975018 562038021 /nfs/dbraw/zinc/03/80/21/562038021.db2.gz CKBARMWSFIJZTL-UHFFFAOYSA-N 1 2 521.593 2.995 1 0 KFAFLO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033991827 562037985 /nfs/dbraw/zinc/03/79/85/562037985.db2.gz IBEANEPZNLVRRY-RCZVLFRGSA-N 1 2 530.666 2.635 1 0 KFAFLO COCC[NH+]1CC(C(N)=O)(N(C)Cc2cc3c(cc2OC)ncnc3Nc2cccc(Cl)c2F)C1 ZINC000034799995 562040781 /nfs/dbraw/zinc/04/07/81/562040781.db2.gz IKXPVMNZZLUFCI-UHFFFAOYSA-N 1 2 502.978 2.792 1 0 KFAFLO O=C(C[C@@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089223 562046801 /nfs/dbraw/zinc/04/68/01/562046801.db2.gz FYPLQLJHWZUXDJ-JOCHJYFZSA-N 1 2 540.584 2.820 1 0 KFAFLO O=C(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089227 562046769 /nfs/dbraw/zinc/04/67/69/562046769.db2.gz FYPLQLJHWZUXDJ-QFIPXVFZSA-N 1 2 540.584 2.820 1 0 KFAFLO O=C(C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089257 562046764 /nfs/dbraw/zinc/04/67/64/562046764.db2.gz JMRAUIYBGKHYPA-HSZRJFAPSA-N 1 2 555.595 2.925 1 0 KFAFLO O=C(C[C@H]1CN(C(=O)OCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089261 562046772 /nfs/dbraw/zinc/04/67/72/562046772.db2.gz JMRAUIYBGKHYPA-QHCPKHFHSA-N 1 2 555.595 2.925 1 0 KFAFLO O=C(C[C@@H]1CN(C(=O)Oc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089267 562046930 /nfs/dbraw/zinc/04/69/30/562046930.db2.gz CNWNPKTZNBJRTQ-OAQYLSRUSA-N 1 2 541.568 2.787 1 0 KFAFLO O=C(C[C@H]1CN(C(=O)Oc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089271 562046955 /nfs/dbraw/zinc/04/69/55/562046955.db2.gz CNWNPKTZNBJRTQ-NRFANRHFSA-N 1 2 541.568 2.787 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000036139649 562047766 /nfs/dbraw/zinc/04/77/66/562047766.db2.gz USQYZVYUUXQZHL-IIHCQYLKSA-N 1 2 574.747 2.560 1 0 in-vitro KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139725 562047857 /nfs/dbraw/zinc/04/78/57/562047857.db2.gz HFEQKONSPKYSGC-NCCKIYDTSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccncc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139725 562047855 /nfs/dbraw/zinc/04/78/55/562047855.db2.gz HFEQKONSPKYSGC-NCCKIYDTSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139730 562047834 /nfs/dbraw/zinc/04/78/34/562047834.db2.gz GQXDRKLTUINFRX-MZKXUYMNSA-N 1 2 636.834 2.613 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(CC(=O)OC(C)(C)C)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000036139730 562047833 /nfs/dbraw/zinc/04/78/33/562047833.db2.gz GQXDRKLTUINFRX-MZKXUYMNSA-N 1 2 636.834 2.613 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[N@@H+](C)CCOc2ccccc2CCCNC1=O ZINC000036160606 562048551 /nfs/dbraw/zinc/04/85/51/562048551.db2.gz JNFMCJJADATECP-ZRRKCSAHSA-N 1 2 552.716 2.802 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[N@H+](C)CCOc2ccccc2CCCNC1=O ZINC000036160606 562048550 /nfs/dbraw/zinc/04/85/50/562048550.db2.gz JNFMCJJADATECP-ZRRKCSAHSA-N 1 2 552.716 2.802 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000036160615 562048490 /nfs/dbraw/zinc/04/84/90/562048490.db2.gz IUBNTNHADZNMIG-NQFIXEGCSA-N 1 2 520.674 2.835 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCc2ccccc2/C=C/CNC1=O ZINC000036160625 562048511 /nfs/dbraw/zinc/04/85/11/562048511.db2.gz SFWIYPIOGRXGTR-HXIFFVTASA-N 1 2 520.674 2.704 1 0 KFAFLO CCC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000036160651 562048521 /nfs/dbraw/zinc/04/85/21/562048521.db2.gz CXNVASKCTNQIAR-DEPHPPBSSA-N 1 2 536.673 2.541 1 0 KFAFLO CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000036160691 562048688 /nfs/dbraw/zinc/04/86/88/562048688.db2.gz NBIAEYWURXAHQI-OFYMXCLBSA-N 1 2 550.700 2.787 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000036160708 562048702 /nfs/dbraw/zinc/04/87/02/562048702.db2.gz CXNVASKCTNQIAR-WTKIFITDSA-N 1 2 536.673 2.541 1 0 KFAFLO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC(=O)[C@H](Cc2ccccc2)NC1=O ZINC000036160717 562048667 /nfs/dbraw/zinc/04/86/67/562048667.db2.gz JAVMKYBLYODMLB-WCWPRPRFSA-N 1 2 584.717 2.983 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000036188368 562051006 /nfs/dbraw/zinc/05/10/06/562051006.db2.gz JNHZXGXHSIXVBS-OMFWCPCBSA-N 1 2 619.763 2.917 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000036188368 562051005 /nfs/dbraw/zinc/05/10/05/562051005.db2.gz JNHZXGXHSIXVBS-OMFWCPCBSA-N 1 2 619.763 2.917 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nn2c(C3CCCC3)nc(CC)c2c(=O)[nH]1 ZINC000036242860 562052268 /nfs/dbraw/zinc/05/22/68/562052268.db2.gz VIFBFEHCTFXWRR-UHFFFAOYSA-N 1 2 514.652 2.639 1 0 KFAFLO CN1CC[NH2+][C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000036269901 562053014 /nfs/dbraw/zinc/05/30/14/562053014.db2.gz YDGSHFJUSTYFRE-FTJBHMTQSA-N 1 2 557.755 2.860 1 0 KFAFLO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH]c[nH+]2)CC1 ZINC000036286095 562054602 /nfs/dbraw/zinc/05/46/02/562054602.db2.gz PKLZEDVDEGTAFP-KAYWLYCHSA-N 1 2 546.668 2.979 1 0 KFAFLO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H](O)Cc2c[nH+]c[nH]2)CC1 ZINC000036286095 562054600 /nfs/dbraw/zinc/05/46/00/562054600.db2.gz PKLZEDVDEGTAFP-KAYWLYCHSA-N 1 2 546.668 2.979 1 0 KFAFLO CCCCNc1nc(NCCOCCOCCNC(=O)c2ccccc2)[nH+]c(NCc2ccccn2)n1 ZINC000036489895 562061144 /nfs/dbraw/zinc/06/11/44/562061144.db2.gz RUQCGMKFYNTBHZ-UHFFFAOYSA-N 1 2 508.627 2.966 1 0 KFAFLO CCCCNc1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(NCc2ccccn2)[nH+]1 ZINC000036489895 562061143 /nfs/dbraw/zinc/06/11/43/562061143.db2.gz RUQCGMKFYNTBHZ-UHFFFAOYSA-N 1 2 508.627 2.966 1 0 KFAFLO CCCCNc1nc(NCc2ccccn2)nc(NCCOCCOCCNC(=O)c2ccccc2)[nH+]1 ZINC000036489895 562061141 /nfs/dbraw/zinc/06/11/41/562061141.db2.gz RUQCGMKFYNTBHZ-UHFFFAOYSA-N 1 2 508.627 2.966 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000038149668 562066004 /nfs/dbraw/zinc/06/60/04/562066004.db2.gz CQYJNYALIHVMOZ-ZWEKWIFMSA-N 1 2 522.690 2.754 1 0 KFAFLO C[C@@H]1C[C@@]2([NH2+]CCS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1 ZINC000038153135 562067747 /nfs/dbraw/zinc/06/77/47/562067747.db2.gz YLDBWOUPHZGCJG-IGACXKNBSA-N 1 2 589.751 2.673 1 0 KFAFLO C[C@@H]1C[C@@]2([NH2+]CCS2)[C@@]2(O)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000038153137 562067764 /nfs/dbraw/zinc/06/77/64/562067764.db2.gz TVEWRDYBCPBMOT-RICVJFRXSA-N 1 2 605.794 2.714 1 0 KFAFLO C[C@@H]1C[C@@]2([NH2+]CCS2)[C@]2(O)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000038153139 562067756 /nfs/dbraw/zinc/06/77/56/562067756.db2.gz TVEWRDYBCPBMOT-IMQGVILPSA-N 1 2 605.794 2.714 1 0 KFAFLO Nc1nc(N2CCCCC2)nc2c1c(=O)c(C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)cn2C[C@@H]1CCCO1 ZINC000040428715 562076589 /nfs/dbraw/zinc/07/65/89/562076589.db2.gz CBTKEQMMDLNZJB-NRFANRHFSA-N 1 2 528.617 2.659 1 0 KFAFLO Nc1nc(N2CCCCC2)nc2c1c(=O)c(C(=O)NCc1ccc(-n3cc[nH+]c3)cc1)cn2C[C@H]1CCCO1 ZINC000040428716 562076595 /nfs/dbraw/zinc/07/65/95/562076595.db2.gz CBTKEQMMDLNZJB-OAQYLSRUSA-N 1 2 528.617 2.659 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH]c[nH+]2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000040764127 562079592 /nfs/dbraw/zinc/07/95/92/562079592.db2.gz HWXXUPJTADKUCU-LVXARBLLSA-N 1 2 523.615 2.653 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH+]c[nH]2)C(=O)[C@]1(C)c1cccc2ccccc21 ZINC000040764127 562079591 /nfs/dbraw/zinc/07/95/91/562079591.db2.gz HWXXUPJTADKUCU-LVXARBLLSA-N 1 2 523.615 2.653 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH]c[nH+]2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000040764128 562079532 /nfs/dbraw/zinc/07/95/32/562079532.db2.gz HWXXUPJTADKUCU-HFZDXXHNSA-N 1 2 523.615 2.653 1 0 KFAFLO COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH+]c[nH]2)C(=O)[C@@]1(C)c1cccc2ccccc21 ZINC000040764128 562079530 /nfs/dbraw/zinc/07/95/30/562079530.db2.gz HWXXUPJTADKUCU-HFZDXXHNSA-N 1 2 523.615 2.653 1 0 KFAFLO C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000040812625 562079820 /nfs/dbraw/zinc/07/98/20/562079820.db2.gz GHVKGLPRTGATCC-HBQHZQSESA-N 1 2 505.659 2.783 1 0 KFAFLO C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000040812629 562079832 /nfs/dbraw/zinc/07/98/32/562079832.db2.gz GHVKGLPRTGATCC-BQNLFAHSSA-N 1 2 505.659 2.783 1 0 KFAFLO CCCCN1C(=O)[C@H]2CC=C(c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)ccc3OCC)CN2C1=O ZINC000040860409 562080717 /nfs/dbraw/zinc/08/07/17/562080717.db2.gz QEOJDNZTRVSSGT-JOCHJYFZSA-N 1 2 504.653 2.632 1 0 KFAFLO C[C@@H]1C[N@@H+](CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040864466 562081202 /nfs/dbraw/zinc/08/12/02/562081202.db2.gz PJIHPWDQNLPHQA-HXOBKFHXSA-N 1 2 525.593 2.982 1 0 KFAFLO C[C@@H]1C[N@H+](CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1 ZINC000040864466 562081201 /nfs/dbraw/zinc/08/12/01/562081201.db2.gz PJIHPWDQNLPHQA-HXOBKFHXSA-N 1 2 525.593 2.982 1 0 KFAFLO C[N@H+]1CCc2nc(C(=O)N[C@@H]3C[C@@H](CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000040934427 562084816 /nfs/dbraw/zinc/08/48/16/562084816.db2.gz OEZRQXWNZZKJIM-SOVGHPHASA-N 1 2 502.040 2.955 1 0 KFAFLO C[N@@H+]1CCc2nc(C(=O)N[C@@H]3C[C@@H](CO)CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000040934427 562084814 /nfs/dbraw/zinc/08/48/14/562084814.db2.gz OEZRQXWNZZKJIM-SOVGHPHASA-N 1 2 502.040 2.955 1 0 KFAFLO COc1cc(C(C)C)c(Oc2c[nH+]c(NCC(C)(CO)CO)nc2N)cc1I ZINC000040952984 562086368 /nfs/dbraw/zinc/08/63/68/562086368.db2.gz KBKWHSURESTDNZ-UHFFFAOYSA-N 1 2 502.353 2.991 1 0 KFAFLO CCCN1CC(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)CN(CCC)C1=O ZINC000042803179 562088113 /nfs/dbraw/zinc/08/81/13/562088113.db2.gz QJVIDJIKMOAXEF-KCHLEUMXSA-N 1 2 585.696 2.527 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(CC)c(OC)cc(OC)c2c(=O)[nH]1 ZINC000043067020 562645399 /nfs/dbraw/zinc/64/53/99/562645399.db2.gz NLWJVIMTKKBUSV-UHFFFAOYSA-N 1 2 516.620 2.505 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(Br)c(OC)cc(OC)c2c(=O)[nH]1 ZINC000043068655 562645481 /nfs/dbraw/zinc/64/54/81/562645481.db2.gz SLOLBWOHEOMZKB-UHFFFAOYSA-N 1 2 567.462 2.705 1 0 KFAFLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043075003 562645659 /nfs/dbraw/zinc/64/56/59/562645659.db2.gz KLRWUZBGXAKCBB-RRPNLBNLSA-N 1 2 537.682 2.792 1 0 KFAFLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043075003 562645658 /nfs/dbraw/zinc/64/56/58/562645658.db2.gz KLRWUZBGXAKCBB-RRPNLBNLSA-N 1 2 537.682 2.792 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(I)c(OC)cc(OC)c2c(=O)[nH]1 ZINC000043075194 562645671 /nfs/dbraw/zinc/64/56/71/562645671.db2.gz QKZNLRUGWFXJAI-UHFFFAOYSA-N 1 2 614.462 2.547 1 0 KFAFLO CCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)[nH]c12 ZINC000043119156 562646029 /nfs/dbraw/zinc/64/60/29/562646029.db2.gz DTEATUMPIBRIJJ-UHFFFAOYSA-N 1 2 516.620 2.592 1 0 KFAFLO CCCCc1c(OC)cc(O)c2c(=O)nc(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)[nH]c12 ZINC000043119881 562646057 /nfs/dbraw/zinc/64/60/57/562646057.db2.gz JFPKHKJAPVUEDY-UHFFFAOYSA-N 1 2 530.647 2.982 1 0 KFAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)[NH2+][C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000043260458 562647219 /nfs/dbraw/zinc/64/72/19/562647219.db2.gz USQYZVYUUXQZHL-RNYPQSMOSA-N 1 2 574.747 2.560 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000043532543 562649405 /nfs/dbraw/zinc/64/94/05/562649405.db2.gz CXNVASKCTNQIAR-IPUUMNCNSA-N 1 2 536.673 2.541 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCc2ccccc2CCCNC1=O ZINC000043532547 562649392 /nfs/dbraw/zinc/64/93/92/562649392.db2.gz ASRVXTPFLGLIMH-OYUWMTPXSA-N 1 2 522.690 2.624 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]Cc2ccccc2CCCCNC1=O ZINC000043620420 562650272 /nfs/dbraw/zinc/65/02/72/562650272.db2.gz JYUPQDZMANQSKY-OYUWMTPXSA-N 1 2 522.690 2.971 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000044070084 562652163 /nfs/dbraw/zinc/65/21/63/562652163.db2.gz WQRLYQHCZSUFGF-ZRRKCSAHSA-N 1 2 552.716 2.802 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2/C=C/CNC1=O ZINC000044086405 562652211 /nfs/dbraw/zinc/65/22/11/562652211.db2.gz CXNVASKCTNQIAR-FHPOJIKLSA-N 1 2 536.673 2.541 1 0 KFAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCCc2ccccc2CCNC1=O ZINC000044280170 562652818 /nfs/dbraw/zinc/65/28/18/562652818.db2.gz AEGFCTCJEIVEAM-OYUWMTPXSA-N 1 2 522.690 2.624 1 0 KFAFLO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)[C@@H](CC)C1=O ZINC000044358304 562655333 /nfs/dbraw/zinc/65/53/33/562655333.db2.gz AOQDELDVXVGZSZ-MASCHLQQSA-N 1 2 570.681 2.638 1 0 KFAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@H](C)c3ccccn3)[nH]c(=O)c2nn1C ZINC000044358832 562655389 /nfs/dbraw/zinc/65/53/89/562655389.db2.gz FCMDGPPBCUEITO-QGZVFWFLSA-N 1 2 552.661 2.555 1 0 KFAFLO CCCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1 ZINC000044358861 562655380 /nfs/dbraw/zinc/65/53/80/562655380.db2.gz MXZLZRQRZAOIMU-UHFFFAOYSA-N 1 2 566.688 2.715 1 0 in-vivo KFAFLO CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C(C)C)Oc2ccc(cc2)CCNC1=O ZINC000044388055 562656269 /nfs/dbraw/zinc/65/62/69/562656269.db2.gz CUABQLKXTMFQOG-LJWNLINESA-N 1 2 536.717 2.951 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000045350477 562661706 /nfs/dbraw/zinc/66/17/06/562661706.db2.gz MFXVEJMJXBUBJG-ADLFWFRXSA-N 1 2 526.638 2.537 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000045350477 562661705 /nfs/dbraw/zinc/66/17/05/562661705.db2.gz MFXVEJMJXBUBJG-ADLFWFRXSA-N 1 2 526.638 2.537 1 0 KFAFLO 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KFAFLO 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)[C@@H](O)CC(C)C ZINC000049654758 581097174 /nfs/dbraw/zinc/09/71/74/581097174.db2.gz QZULYDKBGCTHOW-FAXBPMTLSA-N 1 2 587.762 2.777 1 0 KFAFLO 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)[C@@H](O)CC(C)C ZINC000049654758 581097173 /nfs/dbraw/zinc/09/71/73/581097173.db2.gz QZULYDKBGCTHOW-FAXBPMTLSA-N 1 2 587.762 2.777 1 0 KFAFLO CC(C)C[C@H](O)[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 ZINC000049654760 581097158 /nfs/dbraw/zinc/09/71/58/581097158.db2.gz QZULYDKBGCTHOW-LRXQMTBVSA-N 1 2 587.762 2.777 1 0 KFAFLO CC(C)C[C@H](O)[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 ZINC000049654760 581097157 /nfs/dbraw/zinc/09/71/57/581097157.db2.gz QZULYDKBGCTHOW-LRXQMTBVSA-N 1 2 587.762 2.777 1 0 KFAFLO 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)[C@@H](O)CC(C)C ZINC000049654762 581097139 /nfs/dbraw/zinc/09/71/39/581097139.db2.gz QZULYDKBGCTHOW-IQKWJPHWSA-N 1 2 587.762 2.777 1 0 KFAFLO 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)[C@@H](O)CC(C)C ZINC000049654762 581097138 /nfs/dbraw/zinc/09/71/38/581097138.db2.gz QZULYDKBGCTHOW-IQKWJPHWSA-N 1 2 587.762 2.777 1 0 KFAFLO CC(C)C[C@H](O)[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 ZINC000049654764 581097038 /nfs/dbraw/zinc/09/70/38/581097038.db2.gz QZULYDKBGCTHOW-UBMUWRQFSA-N 1 2 587.762 2.777 1 0 KFAFLO CC(C)C[C@H](O)[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 ZINC000049654764 581097037 /nfs/dbraw/zinc/09/70/37/581097037.db2.gz QZULYDKBGCTHOW-UBMUWRQFSA-N 1 2 587.762 2.777 1 0 KFAFLO CS(=O)(=O)c1cccc(Nc2nc(NCCO)nc(Nc3ccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)cc3)n2)c1 ZINC000049678169 562668466 /nfs/dbraw/zinc/66/84/66/562668466.db2.gz OACULOUPNYEODW-UHFFFAOYSA-N 1 2 687.791 2.736 1 0 KFAFLO Nc1cccc(Nc2nc(NCCO)nc(Nc3cccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)c3)n2)c1 ZINC000049679405 562668887 /nfs/dbraw/zinc/66/88/87/562668887.db2.gz HCBCVSYCAUTMEX-UHFFFAOYSA-N 1 2 624.714 2.915 1 0 KFAFLO Nc1cccc(Nc2nc(NCCO)nc(Nc3ccc(CCNc4nc(Nc5cccc(N)c5)nc(NCCO)[nH+]4)cc3)n2)c1 ZINC000049695411 562670480 /nfs/dbraw/zinc/67/04/80/562670480.db2.gz ZZIWOXOZXQXVSP-UHFFFAOYSA-N 1 2 624.714 2.915 1 0 KFAFLO COc1ncccc1CN1CC[N@@H+](C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049708060 562670832 /nfs/dbraw/zinc/67/08/32/562670832.db2.gz NMHZNRIVIFPIMI-NCCKIYDTSA-N 1 2 643.829 2.876 1 0 KFAFLO COc1ncccc1CN1CC[N@H+](C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049708060 562670831 /nfs/dbraw/zinc/67/08/31/562670831.db2.gz NMHZNRIVIFPIMI-NCCKIYDTSA-N 1 2 643.829 2.876 1 0 KFAFLO COc1ncccc1C[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049708060 562670830 /nfs/dbraw/zinc/67/08/30/562670830.db2.gz NMHZNRIVIFPIMI-NCCKIYDTSA-N 1 2 643.829 2.876 1 0 KFAFLO COc1ncccc1C[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000049708060 562670829 /nfs/dbraw/zinc/67/08/29/562670829.db2.gz NMHZNRIVIFPIMI-NCCKIYDTSA-N 1 2 643.829 2.876 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3c(c2)CCO3)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720229 562672093 /nfs/dbraw/zinc/67/20/93/562672093.db2.gz CFGOUUWGBUPZCL-XNJVZLJXSA-N 1 2 655.840 2.802 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cnc3c(c2)CCO3)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720229 562672092 /nfs/dbraw/zinc/67/20/92/562672092.db2.gz CFGOUUWGBUPZCL-XNJVZLJXSA-N 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CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ncc3cc(Cl)ccc3n2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049757364 562675960 /nfs/dbraw/zinc/67/59/60/562675960.db2.gz CYEYXDKPFTXXAG-ADLFWFRXSA-N 1 2 556.092 2.513 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ncc3cc(Cl)ccc3n2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049757364 562675959 /nfs/dbraw/zinc/67/59/59/562675959.db2.gz CYEYXDKPFTXXAG-ADLFWFRXSA-N 1 2 556.092 2.513 1 0 KFAFLO O=C(CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCc1ccccc1 ZINC000049762026 562676313 /nfs/dbraw/zinc/67/63/13/562676313.db2.gz ONDIIUHCASRYCA-UPVQGACJSA-N 1 2 544.616 2.688 1 0 KFAFLO O=C(CN(c1ncnc2c1ncn2[C@@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCc1ccccc1 ZINC000049762026 562676312 /nfs/dbraw/zinc/67/63/12/562676312.db2.gz ONDIIUHCASRYCA-UPVQGACJSA-N 1 2 544.616 2.688 1 0 KFAFLO O=C(CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCc1ccccc1 ZINC000049762028 562676300 /nfs/dbraw/zinc/67/63/00/562676300.db2.gz ONDIIUHCASRYCA-LADGPHEKSA-N 1 2 544.616 2.688 1 0 KFAFLO O=C(CN(c1ncnc2c1ncn2[C@H]1CCCCO1)C1CC1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCc1ccccc1 ZINC000049762028 562676299 /nfs/dbraw/zinc/67/62/99/562676299.db2.gz ONDIIUHCASRYCA-LADGPHEKSA-N 1 2 544.616 2.688 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Cc3ccc(Cl)cc3OC2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049762040 562676326 /nfs/dbraw/zinc/67/63/26/562676326.db2.gz BRGHULUVIQNSDA-NBHGPNQESA-N 1 2 558.104 2.732 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Cc3ccc(Cl)cc3OC2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049762040 562676325 /nfs/dbraw/zinc/67/63/25/562676325.db2.gz BRGHULUVIQNSDA-NBHGPNQESA-N 1 2 558.104 2.732 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049762136 562676348 /nfs/dbraw/zinc/67/63/48/562676348.db2.gz PNQXOEXOFLZKCD-RIFZZMRRSA-N 1 2 556.092 2.513 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049762136 562676347 /nfs/dbraw/zinc/67/63/47/562676347.db2.gz PNQXOEXOFLZKCD-RIFZZMRRSA-N 1 2 556.092 2.513 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C=O)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049762212 562676402 /nfs/dbraw/zinc/67/64/02/562676402.db2.gz CFKFDPIYKGDUPV-ONTRVFCTSA-N 1 2 571.103 2.864 1 0 KFAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C=O)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049762212 562676401 /nfs/dbraw/zinc/67/64/01/562676401.db2.gz CFKFDPIYKGDUPV-ONTRVFCTSA-N 1 2 571.103 2.864 1 0 KFAFLO CCc1cn([C@H]2C[C@@H](n3cnc4c3nc(NCCc3cn(CC)c[nH+]3)nc4NCC(CC)CC)[C@H](O)[C@@H]2O)nn1 ZINC000049763181 562676850 /nfs/dbraw/zinc/67/68/50/562676850.db2.gz XUFSLOHWIRUYOK-AWAHEQQVSA-N 1 2 551.700 2.607 1 0 KFAFLO CNC(=O)Nc1ccc(-c2nc3cc(C[NH+]4CCN(S(C)(=O)=O)CC4)sc3c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000049766729 562677195 /nfs/dbraw/zinc/67/71/95/562677195.db2.gz XUYPPKAYBHIWJO-BGYRXZFFSA-N 1 2 571.729 2.554 1 0 KFAFLO C[C@@H]1C[C@@]2([NH+]=C(N)CS2)[C@@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049772026 562678568 /nfs/dbraw/zinc/67/85/68/562678568.db2.gz IENLQPVYLUUMKB-YZZPAOTKSA-N 1 2 616.777 2.688 1 0 KFAFLO C[C@@H]1C[C@@]2([NH+]=C(N)CS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 ZINC000049772027 562678547 /nfs/dbraw/zinc/67/85/47/562678547.db2.gz IENLQPVYLUUMKB-DMHYMSEJSA-N 1 2 616.777 2.688 1 0 KFAFLO C[C@@H](NC(=O)c1cc(COC(=O)[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777293 562679854 /nfs/dbraw/zinc/67/98/54/562679854.db2.gz BTLIREXMGMYALU-WHLCRQNOSA-N 1 2 557.644 2.688 1 0 KFAFLO C[C@@H](NC(=O)c1cc(COC(=O)[C@@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777294 562679846 /nfs/dbraw/zinc/67/98/46/562679846.db2.gz BTLIREXMGMYALU-GDJIYFAZSA-N 1 2 557.644 2.688 1 0 KFAFLO CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CC[NH2+]2)cc(N2CCCCS2(=O)=O)c1 ZINC000049777399 562679974 /nfs/dbraw/zinc/67/99/74/562679974.db2.gz SLBSYXUQXCWSGG-QAXCHELISA-N 1 2 705.850 3.000 1 0 KFAFLO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@@H](O)c4cnccn4)cc1c32 ZINC000049777489 562680107 /nfs/dbraw/zinc/68/01/07/562680107.db2.gz YHCFOSVYZUQLMX-XMMPIXPASA-N 1 2 547.015 2.517 1 0 KFAFLO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@@H](O)c4cnccn4)cc1c32 ZINC000049777489 562680106 /nfs/dbraw/zinc/68/01/06/562680106.db2.gz YHCFOSVYZUQLMX-XMMPIXPASA-N 1 2 547.015 2.517 1 0 KFAFLO CC(C)C[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000049778005 562680815 /nfs/dbraw/zinc/68/08/15/562680815.db2.gz SBHROAJUJBAZAV-ZEQRLZLVSA-N 1 2 607.618 2.970 1 0 KFAFLO CC(C)C[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000049778005 562680814 /nfs/dbraw/zinc/68/08/14/562680814.db2.gz SBHROAJUJBAZAV-ZEQRLZLVSA-N 1 2 607.618 2.970 1 0 KFAFLO CC(C)[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000049778006 562680797 /nfs/dbraw/zinc/68/07/97/562680797.db2.gz NRCFAKCQZQBNSL-DHLKQENFSA-N 1 2 593.591 2.580 1 0 KFAFLO CC(C)[C@H](NC(=O)c1coc(-c2ccccc2)n1)C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000049778006 562680796 /nfs/dbraw/zinc/68/07/96/562680796.db2.gz NRCFAKCQZQBNSL-DHLKQENFSA-N 1 2 593.591 2.580 1 0 KFAFLO COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@H]3C(=[NH2+])NC=N[C@@H]32)C1)Oc1ccc(C(F)(F)F)cc1 ZINC000049780149 562681411 /nfs/dbraw/zinc/68/14/11/562681411.db2.gz UDMPPHCOOYYHNF-XEFIEBFOSA-N 1 2 542.455 2.742 1 0 KFAFLO COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@@H]3C(=[NH2+])NC=N[C@@H]32)C1)Oc1ccc(C(F)(F)F)cc1 ZINC000049780150 562681385 /nfs/dbraw/zinc/68/13/85/562681385.db2.gz UDMPPHCOOYYHNF-BMTGXDTBSA-N 1 2 542.455 2.742 1 0 KFAFLO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@@H+](C)C[C@H](O)c4cnccn4)cc1c32 ZINC000049780513 562681799 /nfs/dbraw/zinc/68/17/99/562681799.db2.gz YHCFOSVYZUQLMX-DEOSSOPVSA-N 1 2 547.015 2.517 1 0 KFAFLO CN1C(=O)Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c3cc(C[N@H+](C)C[C@H](O)c4cnccn4)cc1c32 ZINC000049780513 562681798 /nfs/dbraw/zinc/68/17/98/562681798.db2.gz YHCFOSVYZUQLMX-DEOSSOPVSA-N 1 2 547.015 2.517 1 0 KFAFLO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049780682 562682083 /nfs/dbraw/zinc/68/20/83/562682083.db2.gz UTIWIXSCWJJPJB-FGZHOGPDSA-N 1 2 588.717 2.780 1 0 KFAFLO COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@H]3C(=[NH2+])NC=N[C@@H]32)C1)Oc1cccc(C(F)(F)F)c1 ZINC000049781916 562683127 /nfs/dbraw/zinc/68/31/27/562683127.db2.gz DAYULILXPHVHAC-XEFIEBFOSA-N 1 2 542.455 2.742 1 0 KFAFLO COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@@H]3C(=[NH2+])NC=N[C@@H]32)C1)Oc1cccc(C(F)(F)F)c1 ZINC000049781922 562683117 /nfs/dbraw/zinc/68/31/17/562683117.db2.gz DAYULILXPHVHAC-BMTGXDTBSA-N 1 2 542.455 2.742 1 0 KFAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cn(C)cn3)CC[NH2+]2)c1 ZINC000049783890 562683310 /nfs/dbraw/zinc/68/33/10/562683310.db2.gz RJPKZFOLDCVSNL-LXQNXJGFSA-N 1 2 660.788 2.634 1 0 KFAFLO CNC(=O)C[NH+]1CCN(c2cc3[nH]c(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)nc3c(C)c2)CC1 ZINC000049784491 562683623 /nfs/dbraw/zinc/68/36/23/562683623.db2.gz CQVTWPREUGIHHR-HSZRJFAPSA-N 1 2 550.063 2.894 1 0 KFAFLO CNC(=O)C[NH+]1CCN(c2cc3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c(C)c2)CC1 ZINC000049784491 562683622 /nfs/dbraw/zinc/68/36/22/562683622.db2.gz CQVTWPREUGIHHR-HSZRJFAPSA-N 1 2 550.063 2.894 1 0 KFAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cnc(C)n3C)CC[NH2+]2)c1 ZINC000049785036 562683901 /nfs/dbraw/zinc/68/39/01/562683901.db2.gz ZUUASFYEYPNRDP-FLBADVGZSA-N 1 2 674.815 2.942 1 0 KFAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccccc3)CC[NH2+]2)c1 ZINC000049802718 562685885 /nfs/dbraw/zinc/68/58/85/562685885.db2.gz APTGNANQHRPHDT-HMMMRCIUSA-N 1 2 670.779 2.889 1 0 KFAFLO COC[C@H]1CCCN1C(=O)c1cc(OC)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)c1 ZINC000049844725 562688551 /nfs/dbraw/zinc/68/85/51/562688551.db2.gz JDWZGDGLKJPHMC-DNUNIWOASA-N 1 2 650.723 2.927 1 0 KFAFLO O=C(CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)c1nc2ccccc2[nH]1 ZINC000049850513 562688712 /nfs/dbraw/zinc/68/87/12/562688712.db2.gz UJOVYAYFFSBJBJ-SVBPBHIXSA-N 1 2 609.643 2.556 1 0 KFAFLO O=C(CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)c1nc2ccccc2[nH]1 ZINC000049850513 562688711 /nfs/dbraw/zinc/68/87/11/562688711.db2.gz UJOVYAYFFSBJBJ-SVBPBHIXSA-N 1 2 609.643 2.556 1 0 KFAFLO CCOc1ccccc1N1CC[NH+](CCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000049872253 562689868 /nfs/dbraw/zinc/68/98/68/562689868.db2.gz CJDLQKMQNDUVLF-UHFFFAOYSA-N 1 2 541.052 2.673 1 0 KFAFLO O=C(Cn1cc[nH+]c1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049881517 562690897 /nfs/dbraw/zinc/69/08/97/562690897.db2.gz UEBXCNMAUOGYOC-UHFFFAOYSA-N 1 2 556.588 2.704 1 0 KFAFLO CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2[nH]cc[nH+]2)cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000049938019 562695042 /nfs/dbraw/zinc/69/50/42/562695042.db2.gz UEAZPKFQGWSWFW-DJTBQIKZSA-N 1 2 672.757 2.824 1 0 KFAFLO OCC12C3N(Cc4ccncc4)C4C(CO)(C5[NH+](Cc6ccncc6)C1C3(CO)C(c1ccccc1)C45CO)C2c1ccccc1 ZINC000053242997 562696738 /nfs/dbraw/zinc/69/67/38/562696738.db2.gz VEWDWCBRPRQXFX-UHFFFAOYSA-N 1 2 616.762 2.806 1 0 KFAFLO OCC12C3N(Cc4cccnc4)C4C(CO)(C5[NH+](Cc6cccnc6)C1C3(CO)C(c1ccccc1)C45CO)C2c1ccccc1 ZINC000053297288 562697433 /nfs/dbraw/zinc/69/74/33/562697433.db2.gz YFTLLYHUTJPNHZ-UHFFFAOYSA-N 1 2 616.762 2.806 1 0 KFAFLO CC(C)[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058507728 562698394 /nfs/dbraw/zinc/69/83/94/562698394.db2.gz CMOYEJVVBMGXBB-NRFANRHFSA-N 1 2 562.117 2.717 1 0 KFAFLO CC(C)[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058507728 562698393 /nfs/dbraw/zinc/69/83/93/562698393.db2.gz CMOYEJVVBMGXBB-NRFANRHFSA-N 1 2 562.117 2.717 1 0 KFAFLO CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000058519656 562698501 /nfs/dbraw/zinc/69/85/01/562698501.db2.gz GGTXGRWUWSFTKQ-NRFANRHFSA-N 1 2 562.117 2.541 1 0 KFAFLO CN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000058519656 562698500 /nfs/dbraw/zinc/69/85/00/562698500.db2.gz GGTXGRWUWSFTKQ-NRFANRHFSA-N 1 2 562.117 2.541 1 0 KFAFLO CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]c[nH+]2)C[C@H]1CNC(=O)c1ccccc1 ZINC000058614530 562701061 /nfs/dbraw/zinc/70/10/61/562701061.db2.gz TYIREKPLERMDCV-HXUWFJFHSA-N 1 2 518.437 2.753 1 0 KFAFLO CS(=O)(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH+]c[nH]2)C[C@H]1CNC(=O)c1ccccc1 ZINC000058614530 562701060 /nfs/dbraw/zinc/70/10/60/562701060.db2.gz TYIREKPLERMDCV-HXUWFJFHSA-N 1 2 518.437 2.753 1 0 KFAFLO COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1C=C[C@@H](N2C=N[C@@H]3C(=[NH2+])NC=N[C@H]32)C1)Oc1cccc(C(F)(F)F)c1 ZINC000058685530 562701531 /nfs/dbraw/zinc/70/15/31/562701531.db2.gz DAYULILXPHVHAC-DDXZDNJBSA-N 1 2 542.455 2.742 1 0 KFAFLO O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(C[NH+]2CCOCC2)C1 ZINC000060325344 562702665 /nfs/dbraw/zinc/70/26/65/562702665.db2.gz RWVYUXIOUYZPHM-UHFFFAOYSA-N 1 2 547.315 2.971 1 0 KFAFLO Cc1cc(C(C)(C)c2ccc(OC[C@H](O)C[NH+]3CCOCC3)c(C)c2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000064513305 562706358 /nfs/dbraw/zinc/70/63/58/562706358.db2.gz WKRDRHHPTCROSQ-VSGBNLITSA-N 1 2 542.717 2.773 1 0 KFAFLO Cc1cc(C(C)(C)c2ccc(OC[C@@H](O)C[NH+]3CCOCC3)c(C)c2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000064513311 562706355 /nfs/dbraw/zinc/70/63/55/562706355.db2.gz WKRDRHHPTCROSQ-NSOVKSMOSA-N 1 2 542.717 2.773 1 0 KFAFLO CC1(C)CCc2c(c3c(nc2N2CCOCC2)sc2c3ncnc2N(CCO)CC[NH+]2CCOCC2)C1 ZINC000064539826 562707614 /nfs/dbraw/zinc/70/76/14/562707614.db2.gz VERPTCRKINCACJ-UHFFFAOYSA-N 1 2 526.707 2.722 1 0 KFAFLO CNC(=O)c1cnc(N2CC[N@@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000066073768 562709543 /nfs/dbraw/zinc/70/95/43/562709543.db2.gz CIRUTWSJCAALLH-NRFANRHFSA-N 1 2 506.434 2.988 1 0 KFAFLO CNC(=O)c1cnc(N2CC[N@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000066073768 562709542 /nfs/dbraw/zinc/70/95/42/562709542.db2.gz CIRUTWSJCAALLH-NRFANRHFSA-N 1 2 506.434 2.988 1 0 KFAFLO C[NH+](C)CC(=O)OCCCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000066261989 562715442 /nfs/dbraw/zinc/71/54/42/562715442.db2.gz FWEKYVRZFJFEBU-WCYRKSIYSA-N 1 2 569.813 2.950 1 0 KFAFLO O=C(C[NH+](CCO)CCO)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066262151 562715510 /nfs/dbraw/zinc/71/55/10/562715510.db2.gz WRVUCGTULIISOP-UHFFFAOYSA-N 1 2 573.675 2.791 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000067810115 562715626 /nfs/dbraw/zinc/71/56/26/562715626.db2.gz LAQXJGUAIIHFMN-QYEAGPHUSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)OC(C)C ZINC000067810115 562715625 /nfs/dbraw/zinc/71/56/25/562715625.db2.gz LAQXJGUAIIHFMN-QYEAGPHUSA-N 1 2 649.789 2.541 1 0 KFAFLO O=C(N(CC[NH+]1CCN(c2ccccc2O)CC1)c1ccccn1)C12C3C4C1C1C2C3C41I ZINC000071296654 562717581 /nfs/dbraw/zinc/71/75/81/562717581.db2.gz IUEHDTRLKKNLDW-UHFFFAOYSA-N 1 2 554.432 2.868 1 0 KFAFLO CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(NCCC[NH+]5CCOCC5)n4)CC3)c(F)c21 ZINC000071318108 562718402 /nfs/dbraw/zinc/71/84/02/562718402.db2.gz XUOPLHKJAZPELJ-UHFFFAOYSA-N 1 2 571.629 2.557 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071318216 562718476 /nfs/dbraw/zinc/71/84/76/562718476.db2.gz WIUWJZGAVWPJKP-LVXARBLLSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071318216 562718475 /nfs/dbraw/zinc/71/84/75/562718475.db2.gz WIUWJZGAVWPJKP-LVXARBLLSA-N 1 2 553.077 2.934 1 0 KFAFLO Cn1ccnc1C[NH+]1CCC(N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000071318244 562718485 /nfs/dbraw/zinc/71/84/85/562718485.db2.gz DYHMJLUAOHTSNR-AYWVHJORSA-N 1 2 552.635 2.980 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000071318525 562718573 /nfs/dbraw/zinc/71/85/73/562718573.db2.gz UBGPQKGLZLBDPE-LVXARBLLSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000071318525 562718572 /nfs/dbraw/zinc/71/85/72/562718572.db2.gz UBGPQKGLZLBDPE-LVXARBLLSA-N 1 2 553.077 2.934 1 0 KFAFLO C[N@@H+](CCS(C)(=O)=O)Cc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1 ZINC000071319329 562718806 /nfs/dbraw/zinc/71/88/06/562718806.db2.gz HLPIEPZFWBATOO-SJORKVTESA-N 1 2 503.543 2.870 1 0 KFAFLO C[N@H+](CCS(C)(=O)=O)Cc1c(C(=O)N[C@@H]2CCC[C@H](O)C2)noc1-c1ccc(C(F)(F)F)cc1 ZINC000071319329 562718805 /nfs/dbraw/zinc/71/88/05/562718805.db2.gz HLPIEPZFWBATOO-SJORKVTESA-N 1 2 503.543 2.870 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl ZINC000071329548 562718944 /nfs/dbraw/zinc/71/89/44/562718944.db2.gz LEHBRCOLRVRBBU-FNZWTVRRSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl ZINC000071329548 562718943 /nfs/dbraw/zinc/71/89/43/562718943.db2.gz LEHBRCOLRVRBBU-FNZWTVRRSA-N 1 2 553.077 2.934 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2nccs2)s1 ZINC000071333908 562719478 /nfs/dbraw/zinc/71/94/78/562719478.db2.gz UHOWMAXXCAHFSD-YPAWHYETSA-N 1 2 525.656 2.613 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2nccs2)s1 ZINC000071333917 562719490 /nfs/dbraw/zinc/71/94/90/562719490.db2.gz UHOWMAXXCAHFSD-BHDDXSALSA-N 1 2 525.656 2.613 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccnc2)s1 ZINC000071340681 562719822 /nfs/dbraw/zinc/71/98/22/562719822.db2.gz VLPUVRSYGZOYBD-QLBJFCOMSA-N 1 2 519.627 2.551 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2cccnc2)s1 ZINC000071340682 562719809 /nfs/dbraw/zinc/71/98/09/562719809.db2.gz VLPUVRSYGZOYBD-ICDZXHCJSA-N 1 2 519.627 2.551 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccncc2)s1 ZINC000071341138 562719898 /nfs/dbraw/zinc/71/98/98/562719898.db2.gz CYDLJEATMMSHLH-QLBJFCOMSA-N 1 2 519.627 2.551 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2ccncc2)s1 ZINC000071341139 562719878 /nfs/dbraw/zinc/71/98/78/562719878.db2.gz CYDLJEATMMSHLH-ICDZXHCJSA-N 1 2 519.627 2.551 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2ccccn2)s1 ZINC000071341405 562719969 /nfs/dbraw/zinc/71/99/69/562719969.db2.gz VUWGWIHIMXGVLJ-QLBJFCOMSA-N 1 2 519.627 2.551 1 0 KFAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@H]2c2ccccn2)s1 ZINC000071341406 562719964 /nfs/dbraw/zinc/71/99/64/562719964.db2.gz VUWGWIHIMXGVLJ-ICDZXHCJSA-N 1 2 519.627 2.551 1 0 KFAFLO O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O ZINC000072104634 562720578 /nfs/dbraw/zinc/72/05/78/562720578.db2.gz MKLXSINHBJIRJU-SANMLTNESA-N 1 2 541.645 2.686 1 0 KFAFLO CC(C)C(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107617 562721336 /nfs/dbraw/zinc/72/13/36/562721336.db2.gz NFYBBQPWNYTXRD-RUZDIDTESA-N 1 2 502.541 3.000 1 0 KFAFLO CC(C)C(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1 ZINC000072107618 562721317 /nfs/dbraw/zinc/72/13/17/562721317.db2.gz NFYBBQPWNYTXRD-VWLOTQADSA-N 1 2 502.541 3.000 1 0 KFAFLO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)C(F)(F)F ZINC000072107838 562721366 /nfs/dbraw/zinc/72/13/66/562721366.db2.gz YDOZMRJIGFBSLC-JOCHJYFZSA-N 1 2 528.457 2.906 1 0 KFAFLO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)C(F)(F)F ZINC000072107839 562721363 /nfs/dbraw/zinc/72/13/63/562721363.db2.gz YDOZMRJIGFBSLC-QFIPXVFZSA-N 1 2 528.457 2.906 1 0 KFAFLO O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072112984 562722234 /nfs/dbraw/zinc/72/22/34/562722234.db2.gz PFMDKARRSHEOCF-NSOVKSMOSA-N 1 2 501.627 2.580 1 0 KFAFLO Cc1c2c(c(C)n1-c1ccccc1)c(=O)n(CCN1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)[nH]c2=O ZINC000072114554 562722754 /nfs/dbraw/zinc/72/27/54/562722754.db2.gz DYFWLNSKORKPJF-UHFFFAOYSA-N 1 2 501.587 2.644 1 0 KFAFLO CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(OC)cc2)c(OCc2c[nH]c[nH+]2)c1)C(=O)[O-] ZINC000072116866 562723277 /nfs/dbraw/zinc/72/32/77/562723277.db2.gz USRJEESXVJIVGS-SWDVRCMSSA-N 1 2 523.590 2.735 1 0 KFAFLO COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(C[NH+](C)C)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000072117154 562723326 /nfs/dbraw/zinc/72/33/26/562723326.db2.gz CIDCFGOHKTUTIM-LVEBQJTPSA-N 1 2 522.558 2.618 1 0 KFAFLO NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CC[NH+](Cc5cnn(CC(=O)NCCO)c5)CC4)ncc3Cl)cc1-2 ZINC000072123625 562724783 /nfs/dbraw/zinc/72/47/83/562724783.db2.gz GPBZNMXCLBDNJG-UHFFFAOYSA-N 1 2 727.201 2.804 1 0 KFAFLO O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000072128653 562726228 /nfs/dbraw/zinc/72/62/28/562726228.db2.gz OFGYOKYBMNRXMX-YRCZKMHPSA-N 1 2 686.773 2.654 1 0 KFAFLO O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)C[NH2+]1 ZINC000072128653 562726227 /nfs/dbraw/zinc/72/62/27/562726227.db2.gz OFGYOKYBMNRXMX-YRCZKMHPSA-N 1 2 686.773 2.654 1 0 KFAFLO C[NH+]1CCN(c2nc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5Cc4ccc(C(F)(F)F)cc4)CC3)nc(N3CC[NH+](C)CC3)n2)CC1 ZINC000072131667 562726748 /nfs/dbraw/zinc/72/67/48/562726748.db2.gz BZHCIKWBDLGJCM-UHFFFAOYSA-N 1 2 724.764 2.921 1 0 KFAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)C(=O)N4CC[NH+](C)CC4)cc23)n[nH]1 ZINC000072142658 562729563 /nfs/dbraw/zinc/72/95/63/562729563.db2.gz SCMPDMAJYNSKMW-UHFFFAOYSA-N 1 2 574.671 2.717 1 0 KFAFLO Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CC[NH+](CCO)CC2)n1 ZINC000072176144 562731501 /nfs/dbraw/zinc/73/15/01/562731501.db2.gz XOXLQQMYDRDXNU-UHFFFAOYSA-N 1 2 534.646 2.834 1 0 KFAFLO CC(C)C[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073142052 562733737 /nfs/dbraw/zinc/73/37/37/562733737.db2.gz ZIWNXCOMNBPCJZ-RCXJIHSJSA-N 1 2 522.690 2.707 1 0 KFAFLO CC(C)(C)c1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073158923 562733942 /nfs/dbraw/zinc/73/39/42/562733942.db2.gz LLJJIRJVGFZXNY-SSEXGKCCSA-N 1 2 580.684 2.797 1 0 KFAFLO CC(C)(C)c1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073158923 562733941 /nfs/dbraw/zinc/73/39/41/562733941.db2.gz LLJJIRJVGFZXNY-SSEXGKCCSA-N 1 2 580.684 2.797 1 0 KFAFLO CC(C)(C)c1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073158935 562733936 /nfs/dbraw/zinc/73/39/36/562733936.db2.gz LLJJIRJVGFZXNY-PMERELPUSA-N 1 2 580.684 2.797 1 0 KFAFLO CC(C)(C)c1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1 ZINC000073158935 562733935 /nfs/dbraw/zinc/73/39/35/562733935.db2.gz LLJJIRJVGFZXNY-PMERELPUSA-N 1 2 580.684 2.797 1 0 KFAFLO CC[C@H](C)[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073161747 562734124 /nfs/dbraw/zinc/73/41/24/562734124.db2.gz TUFREBLXGZQYFP-DJCWJLACSA-N 1 2 522.690 2.707 1 0 KFAFLO CC(C)[C@@H]1[NH2+]C[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073163501 562734242 /nfs/dbraw/zinc/73/42/42/562734242.db2.gz XGOUIBKZLDCMGX-SUNQPCDNSA-N 1 2 540.680 2.844 1 0 KFAFLO CCC[C@@H]1[NH2+]C[C@@H](C)Oc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073166172 562734468 /nfs/dbraw/zinc/73/44/68/562734468.db2.gz QSWZCBJMPATZGX-YTFNCPKPSA-N 1 2 540.680 2.988 1 0 KFAFLO O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167505 562734581 /nfs/dbraw/zinc/73/45/81/562734581.db2.gz UZTFWCMEJZRQKF-AREMUKBSSA-N 1 2 593.466 2.806 1 0 KFAFLO O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167505 562734580 /nfs/dbraw/zinc/73/45/80/562734580.db2.gz UZTFWCMEJZRQKF-AREMUKBSSA-N 1 2 593.466 2.806 1 0 KFAFLO O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167508 562734593 /nfs/dbraw/zinc/73/45/93/562734593.db2.gz UZTFWCMEJZRQKF-SANMLTNESA-N 1 2 593.466 2.806 1 0 KFAFLO O=c1n(-c2ccc(Cl)c(Cl)c2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167508 562734592 /nfs/dbraw/zinc/73/45/92/562734592.db2.gz UZTFWCMEJZRQKF-SANMLTNESA-N 1 2 593.466 2.806 1 0 KFAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC(C)(C)C[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073169494 562734818 /nfs/dbraw/zinc/73/48/18/562734818.db2.gz ZMOMZJDEWSTKIL-WMBPSLEXSA-N 1 2 552.691 2.988 1 0 KFAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@@H](C[NH2+][C@@H](C2CC2)C(=O)N1C)CC3 ZINC000073169497 562734821 /nfs/dbraw/zinc/73/48/21/562734821.db2.gz WUOSQYXJIXLPTP-LBHSSTRISA-N 1 2 550.675 2.524 1 0 KFAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cccc3c2O[C@H](C[NH2+][C@@H](C2CC2)C(=O)N1C)CC3 ZINC000073169499 562734807 /nfs/dbraw/zinc/73/48/07/562734807.db2.gz WUOSQYXJIXLPTP-ABXDHCHGSA-N 1 2 550.675 2.524 1 0 KFAFLO C[C@@H]1C[NH2+][C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1 ZINC000073170179 562734916 /nfs/dbraw/zinc/73/49/16/562734916.db2.gz IEAUXEJFKGIBRN-IFGWQFMBSA-N 1 2 556.654 2.737 1 0 KFAFLO Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)[NH2+]C[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F ZINC000073196221 562735084 /nfs/dbraw/zinc/73/50/84/562735084.db2.gz JUOIJNCKYQXFOF-BJYFBGGTSA-N 1 2 552.691 2.906 1 0 KFAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC[C@H](C)[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073196234 562735073 /nfs/dbraw/zinc/73/50/73/562735073.db2.gz SBGLLABFHQIDCY-JQHOABPUSA-N 1 2 538.664 2.598 1 0 KFAFLO C[C@@H]1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)[NH2+]1 ZINC000073196235 562735063 /nfs/dbraw/zinc/73/50/63/562735063.db2.gz SBGLLABFHQIDCY-ABNZCKJZSA-N 1 2 538.664 2.598 1 0 KFAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O[C@@H](C)C[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073196583 562735174 /nfs/dbraw/zinc/73/51/74/562735174.db2.gz WGYPAJVJMXQXTR-JQHOABPUSA-N 1 2 538.664 2.598 1 0 KFAFLO CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](Cc2ccccc2)C1=O ZINC000073196609 562735185 /nfs/dbraw/zinc/73/51/85/562735185.db2.gz BZIKCOOHXAVETB-IZLXSDGUSA-N 1 2 542.680 2.515 1 0 KFAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(Cc2ccnc(C)c2OC)C2CC2)cn1 ZINC000073197702 562735448 /nfs/dbraw/zinc/73/54/48/562735448.db2.gz FLTNLWVEZYZDST-AREMUKBSSA-N 1 2 590.681 2.679 1 0 KFAFLO CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c3c2nc[nH+]c3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1 ZINC000073198044 562735526 /nfs/dbraw/zinc/73/55/26/562735526.db2.gz DQNHNWHMCKDBCM-JTYOGCPESA-N 1 2 555.475 2.884 1 0 KFAFLO CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(s2)c(C(=O)NCC[NH+]2CCOCC2)cnc3N)cc1 ZINC000073240471 562736899 /nfs/dbraw/zinc/73/68/99/562736899.db2.gz ILYLHLOBPWMKMH-UHFFFAOYSA-N 1 2 517.677 2.684 1 0 KFAFLO O=C(CN(Cc1ccccc1)S(=O)(=O)NCc1cccc(Oc2ccccc2)c1)NCC[NH+]1CCOCC1 ZINC000073294165 562737598 /nfs/dbraw/zinc/73/75/98/562737598.db2.gz JZGAELRJOMCFNU-UHFFFAOYSA-N 1 2 538.670 2.764 1 0 KFAFLO CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000082140214 562739340 /nfs/dbraw/zinc/73/93/40/562739340.db2.gz XIMKDIUKGKSHSF-MUUNZHRXSA-N 1 2 651.164 2.909 1 0 KFAFLO CCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(I)c3c2nc(N)[nH+]c3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1 ZINC000082140315 562739382 /nfs/dbraw/zinc/73/93/82/562739382.db2.gz PQJZFQXULSSBIP-OGKZBTCDSA-N 1 2 678.396 2.932 1 0 KFAFLO CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(I)c3c2nc(N)[nH+]c3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1 ZINC000082140317 562739421 /nfs/dbraw/zinc/73/94/21/562739421.db2.gz PQJZFQXULSSBIP-SURLUNGKSA-N 1 2 678.396 2.932 1 0 KFAFLO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000082140549 562739513 /nfs/dbraw/zinc/73/95/13/562739513.db2.gz ZXNIBIOOPMIAOL-GDLZYMKVSA-N 1 2 669.179 2.833 1 0 KFAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1 ZINC000082149975 562739767 /nfs/dbraw/zinc/73/97/67/562739767.db2.gz NIBCDDKWFDEBEP-UHFFFAOYSA-N 1 2 565.700 2.907 1 0 KFAFLO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CC[N@@H+](C3CCOCC3)C2)CC1 ZINC000082153157 562740153 /nfs/dbraw/zinc/74/01/53/562740153.db2.gz KQPJRFXWAWUUTE-UHFFFAOYSA-N 1 2 511.648 2.888 1 0 KFAFLO CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)n3ccnc3)CC[N@H+](C3CCOCC3)C2)CC1 ZINC000082153157 562740152 /nfs/dbraw/zinc/74/01/52/562740152.db2.gz KQPJRFXWAWUUTE-UHFFFAOYSA-N 1 2 511.648 2.888 1 0 KFAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(C)CCCc2ccccc2)cn1 ZINC000082155197 562740503 /nfs/dbraw/zinc/74/05/03/562740503.db2.gz XONFRQPEMBWSIO-AREMUKBSSA-N 1 2 547.656 2.867 1 0 KFAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)NCc2ccccc2Cl)cn1 ZINC000082155814 562740562 /nfs/dbraw/zinc/74/05/62/562740562.db2.gz UJJGZDZMWQETAF-HSZRJFAPSA-N 1 2 540.020 2.746 1 0 KFAFLO CCC(C)(C)C1(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2CN(C)CC[NH2+]2)CC1 ZINC000084422463 562743031 /nfs/dbraw/zinc/74/30/31/562743031.db2.gz NDOKGGMXMSAVRI-BJKOFHAPSA-N 1 2 545.744 2.716 1 0 KFAFLO COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5[nH+]ccn5C)C4)CC(=O)N32)cc1OC ZINC000084597079 562743922 /nfs/dbraw/zinc/74/39/22/562743922.db2.gz NBXLYPVPGFKRFS-YMLOERMTSA-N 1 2 554.651 2.878 1 0 KFAFLO CCCc1nn(-c2cccnc2)c2c1nc(-c1cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc1OCC)[nH]c2=O ZINC000084632957 562745670 /nfs/dbraw/zinc/74/56/70/562745670.db2.gz MXBRZLYYWAHJGJ-UHFFFAOYSA-N 1 2 537.646 2.870 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(-c3ccccc3)nn(C)c2c(=O)[nH]1 ZINC000084632960 562745661 /nfs/dbraw/zinc/74/56/61/562745661.db2.gz DSUJCFXCOOMLRE-UHFFFAOYSA-N 1 2 508.604 2.738 1 0 KFAFLO Cc1cn2c(-c3cnn(CC(=O)N4CCOCC4)c3)cnc2c(Nc2cc(C[NH+]3CCCCC3)ns2)n1 ZINC000084635985 562746260 /nfs/dbraw/zinc/74/62/60/562746260.db2.gz OTARCJGWWAIHGA-UHFFFAOYSA-N 1 2 521.651 2.946 1 0 KFAFLO C/C=C1\C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6ccc(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O ZINC000084653627 562746931 /nfs/dbraw/zinc/74/69/31/562746931.db2.gz UPIGIQGRCRWGHO-YGQBOABASA-N 1 2 516.594 2.927 1 0 KFAFLO C/C=C1\C[N@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6ccc(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O ZINC000084653627 562746930 /nfs/dbraw/zinc/74/69/30/562746930.db2.gz UPIGIQGRCRWGHO-YGQBOABASA-N 1 2 516.594 2.927 1 0 KFAFLO Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000084672096 562748699 /nfs/dbraw/zinc/74/86/99/562748699.db2.gz OPARQIWFKDQDPT-QGZVFWFLSA-N 1 2 515.558 2.567 1 0 KFAFLO Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000084672097 562748706 /nfs/dbraw/zinc/74/87/06/562748706.db2.gz OPARQIWFKDQDPT-KRWDZBQOSA-N 1 2 515.558 2.567 1 0 KFAFLO CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc[nH+]c4N)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1 ZINC000084688127 562749098 /nfs/dbraw/zinc/74/90/98/562749098.db2.gz AOMZSIFDBDFDOL-UHFFFAOYSA-N 1 2 545.065 2.694 1 0 KFAFLO CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc(N)[nH+]c4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1 ZINC000084688453 562749152 /nfs/dbraw/zinc/74/91/52/562749152.db2.gz UWGXHFNDYWMDHO-UHFFFAOYSA-N 1 2 545.065 2.694 1 0 KFAFLO CC1(COc2c(N3CCN(S(=O)(=O)Cc4cc[nH+]c(N)c4)CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1 ZINC000084688454 562749188 /nfs/dbraw/zinc/74/91/88/562749188.db2.gz FLMWMIJTURMTQH-UHFFFAOYSA-N 1 2 545.065 2.694 1 0 KFAFLO Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000084689547 562749376 /nfs/dbraw/zinc/74/93/76/562749376.db2.gz JVZHTUQIMBYDSX-GOSISDBHSA-N 1 2 529.585 2.957 1 0 KFAFLO Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000084689549 562749387 /nfs/dbraw/zinc/74/93/87/562749387.db2.gz JVZHTUQIMBYDSX-SFHVURJKSA-N 1 2 529.585 2.957 1 0 KFAFLO C/C=C1/C[N@@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O ZINC000084709680 562750378 /nfs/dbraw/zinc/75/03/78/562750378.db2.gz PRKMIRDXQCIYQP-GUTBXLRFSA-N 1 2 546.620 2.936 1 0 KFAFLO C/C=C1/C[N@H+]2[C@H]3C[C@@]45c6ccccc6N(C(=O)c6cc(OC)c(OC)c(OC)c6)[C@@H]4[C@@H]2C[C@@H]1[C@]3(C(=O)OC)[C@H]5O ZINC000084709680 562750377 /nfs/dbraw/zinc/75/03/77/562750377.db2.gz PRKMIRDXQCIYQP-GUTBXLRFSA-N 1 2 546.620 2.936 1 0 KFAFLO CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1c[nH+]c(C)cc1C ZINC000084710340 562750461 /nfs/dbraw/zinc/75/04/61/562750461.db2.gz XHTCCUKMYSWDIM-QUZACWSFSA-N 1 2 518.658 2.755 1 0 KFAFLO CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1cc(C)c[nH+]c1C ZINC000084725944 562751277 /nfs/dbraw/zinc/75/12/77/562751277.db2.gz WKFMSNYXQLFFSK-QSFFNLKPSA-N 1 2 518.658 2.755 1 0 KFAFLO COc1ccc2c(c1)c(CC(=O)NCC[NH+]1CCOCC1)c(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000084733990 562751880 /nfs/dbraw/zinc/75/18/80/562751880.db2.gz PALSPGPTTGNIDZ-UHFFFAOYSA-N 1 2 525.602 2.664 1 0 KFAFLO CON1c2ccccc2[C@]2(C[C@@H]3[NH+]=C([C@H](C)C[C@H]4C(=O)OC[C@@H]5[C@@H](C)C[C@H](O)[C@@H]54)[C@@H]4C[C@H]2OC[C@@H]43)C1=O ZINC000085504803 291763417 /nfs/dbraw/zinc/76/34/17/291763417.db2.gz WUEJGUJYZNAXBF-YDBGBWBTSA-N 1 2 508.615 2.913 1 0 biogenic,in-vitro KFAFLO COc1cc([C@H]2Oc3cc(OC(CO)CO)c4c(c3C[C@H]2O)[C@@H](CCn2cc[nH+]c2)Cc2cc(O)ccc2-4)ccc1O ZINC000085568110 560070269 /nfs/dbraw/zinc/07/02/69/560070269.db2.gz ZHZHKHKMAXYRPG-ZHWNBNGFSA-O 1 2 575.638 2.888 1 0 biogenic,in-vitro KFAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595178 565152061 /nfs/dbraw/zinc/15/20/61/565152061.db2.gz UPCPIAQPOAWXLB-ZEXUIZKDSA-N 1 2 618.639 2.736 1 0 biogenic,in-vitro KFAFLO C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c(O)cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595178 565152053 /nfs/dbraw/zinc/15/20/53/565152053.db2.gz UPCPIAQPOAWXLB-ZEXUIZKDSA-N 1 2 618.639 2.736 1 0 biogenic,in-vitro KFAFLO CC[NH2+][C@H](COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O)[C@H](CC(=O)[O-])Cc1cc[nH+]c(N)c1 ZINC000085596574 291758980 /nfs/dbraw/zinc/75/89/80/291758980.db2.gz DBQQSTHLCNTLGN-LUUVBJOYSA-N 1 2 699.798 2.925 1 0 biogenic,in-vitro KFAFLO COc1cc2c(cc1OCCC[NH+]1CCCC1)[nH+]c(N1CCS(=O)(=O)CC1)nc2NC1CC[NH+](C2CC2)CC1 ZINC000095493476 562753733 /nfs/dbraw/zinc/75/37/33/562753733.db2.gz ZMUXEDBQFYKBKZ-UHFFFAOYSA-N 1 2 558.749 2.777 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O ZINC000095542630 562756841 /nfs/dbraw/zinc/75/68/41/562756841.db2.gz ILLSOIRJMQNTIA-BQMAELMESA-N 1 2 766.944 2.615 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O ZINC000095542630 562756840 /nfs/dbraw/zinc/75/68/40/562756840.db2.gz ILLSOIRJMQNTIA-BQMAELMESA-N 1 2 766.944 2.615 1 0 KFAFLO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=[NH2+])NC#N)n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000095544668 562757748 /nfs/dbraw/zinc/75/77/48/562757748.db2.gz UZMJHOCHLUSACO-UHFFFAOYSA-N 1 2 733.588 2.812 1 0 KFAFLO CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000095545703 562758178 /nfs/dbraw/zinc/75/81/78/562758178.db2.gz IYZGPHKBRHGQNR-OWIVKRMQSA-N 1 2 804.990 2.706 1 0 KFAFLO CN(CCN(C)C(=O)N1CCOCC1)C(=O)O[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000095545703 562758177 /nfs/dbraw/zinc/75/81/77/562758177.db2.gz IYZGPHKBRHGQNR-OWIVKRMQSA-N 1 2 804.990 2.706 1 0 KFAFLO NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CC[NH+](Cc5cnn(CC(=O)N(CCO)CCO)c5)CC4)ncc3Cl)cc1-2 ZINC000095547767 562758849 /nfs/dbraw/zinc/75/88/49/562758849.db2.gz BHHWVKQXKIOMRP-UHFFFAOYSA-N 1 2 771.254 2.509 1 0 KFAFLO CC(O)C1NC(=O)C(CCCC[NH3+])C2c3[nH]c4ccccc4c3CC(NC(=O)C(Cc3ccccc3)NC(=O)C3CCCC3C(=O)C(Cc3ccccc3)NC1=O)C2=O ZINC000095548689 562759355 /nfs/dbraw/zinc/75/93/55/562759355.db2.gz NQMWTCIUWIRFIJ-CUSOPXGZSA-N 1 2 802.973 2.926 1 0 KFAFLO CCc1nc2ccccc2n1-c1nc2cc(C[NH+]3CCN(S(C)(=O)=O)CC3)sc2c(N2CCOCC2)n1 ZINC000095552493 562760729 /nfs/dbraw/zinc/76/07/29/562760729.db2.gz NZLCSWCXKHCYFY-UHFFFAOYSA-N 1 2 541.703 2.506 1 0 KFAFLO CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000095552977 562760791 /nfs/dbraw/zinc/76/07/91/562760791.db2.gz UWJMLPAEGOKDNK-KYJUHHDHSA-N 1 2 666.868 2.590 1 0 KFAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCc4ccccc4)nc(N[C@H]4CCCCNC4=O)[nH+]3)C2)cc1F ZINC000095554010 562761112 /nfs/dbraw/zinc/76/11/12/562761112.db2.gz BTJVBMZQYZDSSY-OFNKIYASSA-N 1 2 568.679 2.569 1 0 KFAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(N[C@H]4CCCCNC4=O)nc(NCc4ccccc4)[nH+]3)C2)cc1F ZINC000095554010 562761111 /nfs/dbraw/zinc/76/11/11/562761111.db2.gz BTJVBMZQYZDSSY-OFNKIYASSA-N 1 2 568.679 2.569 1 0 KFAFLO Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3nc(NCc4ccccc4)[nH+]c(N[C@H]4CCCCNC4=O)n3)C2)cc1F ZINC000095554010 562761110 /nfs/dbraw/zinc/76/11/10/562761110.db2.gz BTJVBMZQYZDSSY-OFNKIYASSA-N 1 2 568.679 2.569 1 0 KFAFLO Cc1nc2ccccc2n1-c1nc2cc(C[NH+]3CCN(C(C)(C)C(N)=O)CC3)sc2c(N2CCOCC2)n1 ZINC000095555675 562761580 /nfs/dbraw/zinc/76/15/80/562761580.db2.gz VEPWTRQLXLDABP-UHFFFAOYSA-N 1 2 534.690 2.557 1 0 KFAFLO Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](/C=C/C(=O)OCc2cn3cccc(C)c3[nH+]2)CCC(N)=O)C(C)C)no1 ZINC000095556430 562761787 /nfs/dbraw/zinc/76/17/87/562761787.db2.gz SEJNFOSFYHJHLQ-VLBJTZDPSA-N 1 2 689.745 2.610 1 0 KFAFLO CS(=O)(=O)N1CC[NH+](Cc2cc3nc(-c4c5cc[nH]c5ccc4F)nc(N4CCOCC4)c3s2)CC1 ZINC000095564549 562764360 /nfs/dbraw/zinc/76/43/60/562764360.db2.gz FKCUBZTUTDWHIN-UHFFFAOYSA-N 1 2 530.651 2.893 1 0 KFAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(C(C)C)c(I)c(=O)[nH]1 ZINC000095573450 562769681 /nfs/dbraw/zinc/76/96/81/562769681.db2.gz PZCNHDOGDRUQGL-UHFFFAOYSA-N 1 2 560.458 2.890 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)c1nccs1 ZINC000095597677 562777307 /nfs/dbraw/zinc/77/73/07/562777307.db2.gz IOEWPISUHHMKHQ-FIXSFTCYSA-N 1 2 568.700 2.527 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)c1nccs1 ZINC000095597677 562777306 /nfs/dbraw/zinc/77/73/06/562777306.db2.gz IOEWPISUHHMKHQ-FIXSFTCYSA-N 1 2 568.700 2.527 1 0 KFAFLO CC(C)=CC[N@@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCn2c(=O)ccn([C@H]4C=C[C@@H](CO)O4)c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095603153 562780394 /nfs/dbraw/zinc/78/03/94/562780394.db2.gz XLWLLICPSRLIDO-HJRZCVLXSA-N 1 2 759.923 2.800 1 0 KFAFLO CC(C)=CC[N@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCn2c(=O)ccn([C@H]4C=C[C@@H](CO)O4)c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095603153 562780393 /nfs/dbraw/zinc/78/03/93/562780393.db2.gz XLWLLICPSRLIDO-HJRZCVLXSA-N 1 2 759.923 2.800 1 0 KFAFLO CC(C)=CC[N@@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCn2c(=O)ccn(C4C=CC(CO)O4)c2=O)[nH]c(=S)n3CC1C ZINC000095603153 562780392 /nfs/dbraw/zinc/78/03/92/562780392.db2.gz XLWLLICPSRLIDO-HJRZCVLXSA-N 1 2 759.923 2.800 1 0 KFAFLO CC(C)=CC[N@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCn2c(=O)ccn(C4C=CC(CO)O4)c2=O)[nH]c(=S)n3CC1C ZINC000095603153 562780391 /nfs/dbraw/zinc/78/03/91/562780391.db2.gz XLWLLICPSRLIDO-HJRZCVLXSA-N 1 2 759.923 2.800 1 0 KFAFLO CC(C)=CC[N@@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCOC(=O)CCc2cn([C@H]4C=C[C@@H](CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095603835 562780724 /nfs/dbraw/zinc/78/07/24/562780724.db2.gz VMUXMTGRHBMBAJ-UJHKNFJSSA-N 1 2 831.986 2.803 1 0 KFAFLO CC(C)=CC[N@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCOC(=O)CCc2cn([C@H]4C=C[C@@H](CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095603835 562780723 /nfs/dbraw/zinc/78/07/23/562780723.db2.gz VMUXMTGRHBMBAJ-UJHKNFJSSA-N 1 2 831.986 2.803 1 0 KFAFLO CC(C)=CC[N@@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCOC(=O)CCc2cn(C4C=CC(CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3CC1C ZINC000095603835 562780721 /nfs/dbraw/zinc/78/07/21/562780721.db2.gz VMUXMTGRHBMBAJ-UJHKNFJSSA-N 1 2 831.986 2.803 1 0 KFAFLO CC(C)=CC[N@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOCCOCCOC(=O)CCc2cn(C4C=CC(CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3CC1C ZINC000095603835 562780720 /nfs/dbraw/zinc/78/07/20/562780720.db2.gz VMUXMTGRHBMBAJ-UJHKNFJSSA-N 1 2 831.986 2.803 1 0 KFAFLO CC(C)=CC[N@@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOC(=O)CCc2cn([C@H]4C=C[C@@H](CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095605078 562781339 /nfs/dbraw/zinc/78/13/39/562781339.db2.gz WFPMVYXTBQLWGK-YRHDVGGASA-N 1 2 743.880 2.770 1 0 KFAFLO CC(C)=CC[N@H+]1Cc2c3c(ccc2OCCOCCOCCOCCOC(=O)CCc2cn([C@H]4C=C[C@@H](CO)O4)c(=O)[nH]c2=O)[nH]c(=S)n3C[C@@H]1C ZINC000095605078 562781338 /nfs/dbraw/zinc/78/13/38/562781338.db2.gz WFPMVYXTBQLWGK-YRHDVGGASA-N 1 2 743.880 2.770 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095606189 562781954 /nfs/dbraw/zinc/78/19/54/562781954.db2.gz ILLSOIRJMQNTIA-YCTRJVDCSA-N 1 2 766.944 2.615 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095606189 562781953 /nfs/dbraw/zinc/78/19/53/562781953.db2.gz ILLSOIRJMQNTIA-YCTRJVDCSA-N 1 2 766.944 2.615 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc32)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095606702 562782339 /nfs/dbraw/zinc/78/23/39/562782339.db2.gz FZODYNLXPKUMGF-YCTRJVDCSA-N 1 2 766.944 2.615 1 0 KFAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc32)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095606702 562782338 /nfs/dbraw/zinc/78/23/38/562782338.db2.gz FZODYNLXPKUMGF-YCTRJVDCSA-N 1 2 766.944 2.615 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCN1CCOCC1 ZINC000095610065 562784165 /nfs/dbraw/zinc/78/41/65/562784165.db2.gz GCIHBGLEBMQQFJ-YDPTYEFTSA-N 1 2 768.986 2.500 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCCN1CCOCC1 ZINC000095610780 562784617 /nfs/dbraw/zinc/78/46/17/562784617.db2.gz CAUKQDKEFXPRBB-YRCZKMHPSA-N 1 2 757.999 2.571 1 0 KFAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)NCCN1CCOCC1 ZINC000095610780 562784616 /nfs/dbraw/zinc/78/46/16/562784616.db2.gz CAUKQDKEFXPRBB-YRCZKMHPSA-N 1 2 757.999 2.571 1 0 KFAFLO CCCc1nnc(C[C@H](C[C@H](O)CN2CC[N@H+](C(C)(C)c3ncc(-c4ccc(F)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095612331 562785414 /nfs/dbraw/zinc/78/54/14/562785414.db2.gz KHRCKBDVJUGFGI-NPHOHLEASA-N 1 2 753.795 2.592 1 0 KFAFLO CCCc1nnc(C[C@H](C[C@H](O)CN2CC[N@@H+](C(C)(C)c3ncc(-c4ccc(F)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095612331 562785413 /nfs/dbraw/zinc/78/54/13/562785413.db2.gz KHRCKBDVJUGFGI-NPHOHLEASA-N 1 2 753.795 2.592 1 0 KFAFLO COc1cncc(-c2cnc(C(C)(C)[N@H+]3CCN(C[C@@H](O)C[C@@H](Cc4nnc(-c5ccccc5)o4)C(=O)N[C@H]4CCOC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000095612347 562785400 /nfs/dbraw/zinc/78/54/00/562785400.db2.gz KSEVURYZMHCLJR-QCAVSIQBSA-N 1 2 800.836 2.571 1 0 KFAFLO COc1cncc(-c2cnc(C(C)(C)[N@@H+]3CCN(C[C@@H](O)C[C@@H](Cc4nnc(-c5ccccc5)o4)C(=O)N[C@H]4CCOC[C@H]4O)[C@H](C(=O)NCC(F)(F)F)C3)o2)c1 ZINC000095612347 562785399 /nfs/dbraw/zinc/78/53/99/562785399.db2.gz KSEVURYZMHCLJR-QCAVSIQBSA-N 1 2 800.836 2.571 1 0 KFAFLO CON1C[C@@H]([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)OC1=O ZINC000095614554 562786704 /nfs/dbraw/zinc/78/67/04/562786704.db2.gz PKTPYJKZNRWOPT-VNGQLYDISA-N 1 2 656.781 2.771 1 0 KFAFLO CON1C[C@@H]([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)OC1=O ZINC000095614554 562786703 /nfs/dbraw/zinc/78/67/03/562786703.db2.gz PKTPYJKZNRWOPT-VNGQLYDISA-N 1 2 656.781 2.771 1 0 KFAFLO Cn1cc[nH+]c1CN1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000096203314 562792729 /nfs/dbraw/zinc/79/27/29/562792729.db2.gz XIZLHEFEULEPHE-XGBAOLAVSA-N 1 2 538.608 2.590 1 0 KFAFLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)N(Cc1ccccn1)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000096283568 562794910 /nfs/dbraw/zinc/79/49/10/562794910.db2.gz NTQHXNALUQPZJR-UHFFFAOYSA-N 1 2 519.577 2.500 1 0 KFAFLO CS(=O)(=O)N1CCO[C@H](CNc2nc(Nc3cc(-c4ccco4)[nH]n3)cc(Cc3ccccc3)[nH+]2)C1 ZINC000096285827 562795912 /nfs/dbraw/zinc/79/59/12/562795912.db2.gz AARZYPZTMIRNPN-LJQANCHMSA-N 1 2 509.592 2.866 1 0 KFAFLO CS(=O)(=O)N1CCO[C@@H](CNc2nc(Nc3cc(-c4ccco4)[nH]n3)cc(Cc3ccccc3)[nH+]2)C1 ZINC000096285828 562795905 /nfs/dbraw/zinc/79/59/05/562795905.db2.gz AARZYPZTMIRNPN-IBGZPJMESA-N 1 2 509.592 2.866 1 0 KFAFLO C[C@]1(c2ccc(Nc3nc(N4CCC(O)CC4)[nH+]c(N4CCC(O)CC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909928 562799805 /nfs/dbraw/zinc/79/98/05/562799805.db2.gz HWWYEADCQLVTHO-NDEPHWFRSA-N 1 2 530.633 2.566 1 0 KFAFLO C[C@@]1(c2ccc(Nc3nc(N4CCC(O)CC4)[nH+]c(N4CCC(O)CC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909929 562799821 /nfs/dbraw/zinc/79/98/21/562799821.db2.gz HWWYEADCQLVTHO-MUUNZHRXSA-N 1 2 530.633 2.566 1 0 KFAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(CCC)c(Br)c(=O)[nH]1 ZINC000096916009 562801102 /nfs/dbraw/zinc/80/11/02/562801102.db2.gz HUXIRPTUIBCBEG-UHFFFAOYSA-N 1 2 513.458 2.877 1 0 KFAFLO COc1cc(O)c2c(ccn(-c3cccc(C(=O)N4CCCCC4)c3)c2=O)c1NC(=O)CC[NH+]1CCOCC1 ZINC000096938031 562804454 /nfs/dbraw/zinc/80/44/54/562804454.db2.gz OQYTVYDTKWCIMC-UHFFFAOYSA-N 1 2 534.613 2.992 1 0 KFAFLO C[NH+]1CCN(C(=O)[C@H](CNC(=O)c2ccc(Cl)s2)NS(=O)(=O)c2cc(F)cc(N3CCCCC3=O)c2Cl)CC1 ZINC000098208556 562806024 /nfs/dbraw/zinc/80/60/24/562806024.db2.gz PVTLJXXAPWJMAT-INIZCTEOSA-N 1 2 620.556 2.562 1 0 in-vitro KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000100308074 562806866 /nfs/dbraw/zinc/80/68/66/562806866.db2.gz CBVCZFGXHXORBI-UVMOQAHJSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000100308074 562806865 /nfs/dbraw/zinc/80/68/65/562806865.db2.gz CBVCZFGXHXORBI-UVMOQAHJSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000100308074 562806864 /nfs/dbraw/zinc/80/68/64/562806864.db2.gz CBVCZFGXHXORBI-UVMOQAHJSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000100308074 562806863 /nfs/dbraw/zinc/80/68/63/562806863.db2.gz CBVCZFGXHXORBI-UVMOQAHJSA-N 1 2 613.803 2.867 1 0 KFAFLO CC(C)CCn1c2ccc(NC(=O)C[NH+](C)C)cc2c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101037481 562808839 /nfs/dbraw/zinc/80/88/39/562808839.db2.gz HSTLIICRVDXPPR-UHFFFAOYSA-N 1 2 511.604 2.814 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101088060 562809150 /nfs/dbraw/zinc/80/91/50/562809150.db2.gz OWMGOMSSWLIZMB-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101088060 562809149 /nfs/dbraw/zinc/80/91/49/562809149.db2.gz OWMGOMSSWLIZMB-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC000101088908 562809092 /nfs/dbraw/zinc/80/90/92/562809092.db2.gz IGWMDXBTNRCDDS-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2ccccc2F)C[C@H]1C ZINC000101088908 562809091 /nfs/dbraw/zinc/80/90/91/562809091.db2.gz IGWMDXBTNRCDDS-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2cccc(F)c2)C[C@H]1C ZINC000101090022 562809155 /nfs/dbraw/zinc/80/91/55/562809155.db2.gz YMLQYRUYKNZDCO-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2cccc(F)c2)C[C@H]1C ZINC000101090022 562809154 /nfs/dbraw/zinc/80/91/54/562809154.db2.gz YMLQYRUYKNZDCO-OAHLLOKOSA-N 1 2 500.958 2.972 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(F)c(F)cc1OCC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101090288 562809135 /nfs/dbraw/zinc/80/91/35/562809135.db2.gz LNUYMEZDDJOUIM-CQSZACIVSA-N 1 2 502.493 2.597 1 0 KFAFLO CNc1c(=O)c(=O)c1Nc1cc(F)c(F)cc1OCC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101090288 562809134 /nfs/dbraw/zinc/80/91/34/562809134.db2.gz LNUYMEZDDJOUIM-CQSZACIVSA-N 1 2 502.493 2.597 1 0 KFAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCN1CCOCC1 ZINC000101091106 562809138 /nfs/dbraw/zinc/80/91/38/562809138.db2.gz PDPPVAWOMSYKMX-HXUWFJFHSA-N 1 2 600.091 2.675 1 0 KFAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCN1CCOCC1 ZINC000101091106 562809137 /nfs/dbraw/zinc/80/91/37/562809137.db2.gz PDPPVAWOMSYKMX-HXUWFJFHSA-N 1 2 600.091 2.675 1 0 KFAFLO COCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101127159 562809336 /nfs/dbraw/zinc/80/93/36/562809336.db2.gz PKBHNAIWHJDFAJ-QGZVFWFLSA-N 1 2 545.011 2.989 1 0 KFAFLO COCCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC000101127159 562809335 /nfs/dbraw/zinc/80/93/35/562809335.db2.gz PKBHNAIWHJDFAJ-QGZVFWFLSA-N 1 2 545.011 2.989 1 0 KFAFLO CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c3c2nc[nH+]c3N)[C@](C)(F)[C@@H]1O)Oc1ccccc1 ZINC000102926002 562813528 /nfs/dbraw/zinc/81/35/28/562813528.db2.gz DQNHNWHMCKDBCM-GDTJYYTRSA-N 1 2 555.475 2.884 1 0 KFAFLO CC(C)(C)c1[nH]c[nH+]c1C=c1[nH]c(=O)c(=Cc2cccc(C(=O)c3ccc(C(F)(F)F)cc3)c2)[nH]c1=O ZINC000102993873 562814011 /nfs/dbraw/zinc/81/40/11/562814011.db2.gz OWROJOBYLXJBCN-FDYZEBBJSA-N 1 2 508.500 2.991 1 0 KFAFLO CC(C)(C)c1[nH]c[nH+]c1C=c1[nH]c(=O)c(=Cc2cccc(C(=O)c3ccc(Br)cc3)c2)[nH]c1=O ZINC000102994223 562813985 /nfs/dbraw/zinc/81/39/85/562813985.db2.gz CNOMYYLXXWXJHE-FDYZEBBJSA-N 1 2 519.399 2.735 1 0 KFAFLO O=c1c(=O)c(Nc2cc[nH+]cc2)c1NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCCC1 ZINC000103141765 562814497 /nfs/dbraw/zinc/81/44/97/562814497.db2.gz UBCUUPBKHAUQNH-UHFFFAOYSA-N 1 2 563.721 2.622 1 0 KFAFLO CCN(CC)c1ccc2cc(-c3nc4sc(S(N)(=O)=O)nn4c3C[NH+]3CCCC3)c(=O)oc2c1 ZINC000103179157 562815215 /nfs/dbraw/zinc/81/52/15/562815215.db2.gz GLDLSVGXJZMBAW-UHFFFAOYSA-N 1 2 502.622 2.654 1 0 KFAFLO O=S(=O)(CCCCCCNC(=S)Nc1cc[nH+]cc1)N(OCCN1CCOCC1)C1CCCC1 ZINC000103247752 562819991 /nfs/dbraw/zinc/81/99/91/562819991.db2.gz GBVZNNOKBRUBEI-UHFFFAOYSA-N 1 2 513.730 2.767 1 0 KFAFLO CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000103248652 562820075 /nfs/dbraw/zinc/82/00/75/562820075.db2.gz SDTCAQIWCVJING-UHFFFAOYSA-N 1 2 575.636 2.753 1 0 KFAFLO CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000103249900 562820181 /nfs/dbraw/zinc/82/01/81/562820181.db2.gz MWTMYRQCVAZQKO-UHFFFAOYSA-N 1 2 556.111 2.778 1 0 KFAFLO C[C@@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccccc5O)c(=S)n4N)cn1c32 ZINC000103285269 562823742 /nfs/dbraw/zinc/82/37/42/562823742.db2.gz CDVIHKKUUXDOJE-MRXNPFEDSA-N 1 2 579.658 2.933 1 0 KFAFLO C[C@H]1COc2c(N3CC[NH+](C)CC3)c(F)cc3c(=O)c(-c4nn(CCC(=O)c5ccccc5O)c(=S)n4N)cn1c32 ZINC000103285271 562823752 /nfs/dbraw/zinc/82/37/52/562823752.db2.gz CDVIHKKUUXDOJE-INIZCTEOSA-N 1 2 579.658 2.933 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@H+](CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940604 562825585 /nfs/dbraw/zinc/82/55/85/562825585.db2.gz UBWTUXFRFOVNSZ-INIZCTEOSA-N 1 2 512.554 2.899 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940604 562825584 /nfs/dbraw/zinc/82/55/84/562825584.db2.gz UBWTUXFRFOVNSZ-INIZCTEOSA-N 1 2 512.554 2.899 1 0 KFAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940608 562825597 /nfs/dbraw/zinc/82/55/97/562825597.db2.gz UBWTUXFRFOVNSZ-MRXNPFEDSA-N 1 2 512.554 2.899 1 0 KFAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCC(F)(F)F)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940608 562825596 /nfs/dbraw/zinc/82/55/96/562825596.db2.gz UBWTUXFRFOVNSZ-MRXNPFEDSA-N 1 2 512.554 2.899 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941237 562825677 /nfs/dbraw/zinc/82/56/77/562825677.db2.gz OSLYEXGCLGGXQD-FQEVSTJZSA-N 1 2 563.671 2.678 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941237 562825676 /nfs/dbraw/zinc/82/56/76/562825676.db2.gz OSLYEXGCLGGXQD-FQEVSTJZSA-N 1 2 563.671 2.678 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@@H+](Cc3cccnc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941632 562825796 /nfs/dbraw/zinc/82/57/96/562825796.db2.gz RNJXEBWYBBNUDN-FQEVSTJZSA-N 1 2 507.616 2.542 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@H+](Cc3cccnc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941632 562825795 /nfs/dbraw/zinc/82/57/95/562825795.db2.gz RNJXEBWYBBNUDN-FQEVSTJZSA-N 1 2 507.616 2.542 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@@H+](Cc3ccncc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942175 562825873 /nfs/dbraw/zinc/82/58/73/562825873.db2.gz HGAJTKWPNZDTRJ-FQEVSTJZSA-N 1 2 507.616 2.542 1 0 KFAFLO O=C(c1nn([C@H]2CCC[N@H+](Cc3ccncc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942175 562825872 /nfs/dbraw/zinc/82/58/72/562825872.db2.gz HGAJTKWPNZDTRJ-FQEVSTJZSA-N 1 2 507.616 2.542 1 0 KFAFLO O=C(c1nn(-c2cccc(OCCn3cc[nH+]c3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942415 562825912 /nfs/dbraw/zinc/82/59/12/562825912.db2.gz DKBIFPXBCXSLNM-UHFFFAOYSA-N 1 2 519.583 2.575 1 0 KFAFLO O=C(c1nn(-c2cccc(C[NH+]3CCSCC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112943307 562825992 /nfs/dbraw/zinc/82/59/92/562825992.db2.gz CZAQUOYKQWEFOR-UHFFFAOYSA-N 1 2 524.668 2.848 1 0 KFAFLO COc1ncc(Nc2ncc([C@@H](C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cc1F ZINC000113148471 562826223 /nfs/dbraw/zinc/82/62/23/562826223.db2.gz NHBVQLKBCSDILU-CQSZACIVSA-N 1 2 541.613 2.648 1 0 KFAFLO COc1ccc(Nc2ncc(C[NH+]3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1 ZINC000113154297 562826264 /nfs/dbraw/zinc/82/62/64/562826264.db2.gz VNXDCPOBZLOOLP-UHFFFAOYSA-N 1 2 502.583 2.670 1 0 KFAFLO COc1ccc(Nc2ncc([C@@H](C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1 ZINC000113154462 562826290 /nfs/dbraw/zinc/82/62/90/562826290.db2.gz OOZFZHMHOZDAGH-OAHLLOKOSA-N 1 2 523.623 2.509 1 0 KFAFLO COc1ccc(Nc2ncc([C@H](C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3[nH]cnc32)cn1 ZINC000113154465 562826244 /nfs/dbraw/zinc/82/62/44/562826244.db2.gz OOZFZHMHOZDAGH-HNNXBMFYSA-N 1 2 523.623 2.509 1 0 KFAFLO Cc1nc(N)nc(-c2cc([C@@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc(Cl)nc2)n1 ZINC000113233629 562826353 /nfs/dbraw/zinc/82/63/53/562826353.db2.gz ONMGCBGGUDMPHS-UONOGXRCSA-N 1 2 518.047 2.643 1 0 KFAFLO Cc1nc(N)nc(-c2cc([C@@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cnc2Nc2ccc(Cl)nc2)n1 ZINC000113233629 562826352 /nfs/dbraw/zinc/82/63/52/562826352.db2.gz ONMGCBGGUDMPHS-UONOGXRCSA-N 1 2 518.047 2.643 1 0 KFAFLO COc1ncc(Nc2ncc(C[NH+]3CCN(C(=O)N(C)C(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113238040 562826357 /nfs/dbraw/zinc/82/63/57/562826357.db2.gz GKJBCVKYWRHTBK-UHFFFAOYSA-N 1 2 524.605 2.688 1 0 KFAFLO COc1ncc(Nc2ncc(C[NH+]3CCN(C(=O)N(C)CC(F)(F)F)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113255847 562826401 /nfs/dbraw/zinc/82/64/01/562826401.db2.gz SORWEBKDPVFLGQ-UHFFFAOYSA-N 1 2 564.548 2.842 1 0 KFAFLO COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OCC[NH+]1CCOCC1 ZINC000114020942 562826912 /nfs/dbraw/zinc/82/69/12/562826912.db2.gz ZAXXYXWMMRHEGZ-UYAOXDASSA-N 1 2 522.602 2.928 1 0 KFAFLO O=C(Nc1ccc(F)cn1)[C@H](C[NH+]1CC(O)C1)Oc1ncnc2c1cnn2-c1c(Cl)cccc1Cl ZINC000114685139 562828399 /nfs/dbraw/zinc/82/83/99/562828399.db2.gz RWBHYJMVXPDSIT-KRWDZBQOSA-N 1 2 518.336 2.719 1 0 KFAFLO O=C(Nc1ccc(Cl)cn1)[C@H](C[NH+]1CC(O)C1)Oc1ncnc2c1cnn2-c1ccccc1Cl ZINC000114688101 562828425 /nfs/dbraw/zinc/82/84/25/562828425.db2.gz BGHITEUBRBJBOP-SFHVURJKSA-N 1 2 500.346 2.580 1 0 KFAFLO CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)[nH+]1 ZINC000115986699 562829073 /nfs/dbraw/zinc/82/90/73/562829073.db2.gz FEKJWXDXAUYDQV-NLWGTHIKSA-N 1 2 532.653 2.682 1 0 KFAFLO CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2CO)[nH+]1 ZINC000115986701 562829070 /nfs/dbraw/zinc/82/90/70/562829070.db2.gz FEKJWXDXAUYDQV-NSHGMRRFSA-N 1 2 532.653 2.682 1 0 KFAFLO COc1ccc(C(=O)NCc2noc(-c3nn(CCn4cc[nH+]c4)c4ccccc43)n2)c(OC)c1OC ZINC000117047964 562829615 /nfs/dbraw/zinc/82/96/15/562829615.db2.gz ZKGRFKHARJABQI-UHFFFAOYSA-N 1 2 503.519 2.939 1 0 KFAFLO O=C1OCc2c1ccc([C@@H](O)C[NH+]1CCN(C[C@@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl ZINC000139510417 562832558 /nfs/dbraw/zinc/83/25/58/562832558.db2.gz ZEIVTTLAZGQRRE-BGYRXZFFSA-N 1 2 507.370 2.719 1 0 KFAFLO O=C1OCc2c1ccc([C@@H](O)CN1CC[NH+](C[C@@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl ZINC000139510417 562832557 /nfs/dbraw/zinc/83/25/57/562832557.db2.gz ZEIVTTLAZGQRRE-BGYRXZFFSA-N 1 2 507.370 2.719 1 0 KFAFLO O=C1OCc2c1ccc([C@@H](O)CN1CC[NH+](C[C@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl ZINC000139510554 562832538 /nfs/dbraw/zinc/83/25/38/562832538.db2.gz ZEIVTTLAZGQRRE-PMACEKPBSA-N 1 2 507.370 2.719 1 0 KFAFLO O=C1OCc2c1ccc([C@H](O)CN1CC[NH+](C[C@@H](O)c3ccc4c(c3Cl)COC4=O)CC1)c2Cl ZINC000139510689 562832535 /nfs/dbraw/zinc/83/25/35/562832535.db2.gz ZEIVTTLAZGQRRE-WOJBJXKFSA-N 1 2 507.370 2.719 1 0 KFAFLO C[C@@H]1C[N@@H+](CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000140546489 562833188 /nfs/dbraw/zinc/83/31/88/562833188.db2.gz PJIHPWDQNLPHQA-UZUQRXQVSA-N 1 2 525.593 2.982 1 0 KFAFLO C[C@@H]1C[N@H+](CC2(c3ccc(C(N)=O)cc3)CC2)CCN1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1 ZINC000140546489 562833187 /nfs/dbraw/zinc/83/31/87/562833187.db2.gz PJIHPWDQNLPHQA-UZUQRXQVSA-N 1 2 525.593 2.982 1 0 KFAFLO CC(C)[C@H]1CN(CC[NH+]2CCOCC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000141222499 562833525 /nfs/dbraw/zinc/83/35/25/562833525.db2.gz YOKDUZZFACVWPI-JOCHJYFZSA-N 1 2 501.595 2.780 1 0 KFAFLO Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(N5CC[NH2+]CC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000144105520 562835768 /nfs/dbraw/zinc/83/57/68/562835768.db2.gz ZVHFIVWRGOXJQL-QHCPKHFHSA-N 1 2 540.671 2.775 1 0 KFAFLO Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccc(N5CC[NH2+]CC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000144105520 562835767 /nfs/dbraw/zinc/83/57/67/562835767.db2.gz ZVHFIVWRGOXJQL-QHCPKHFHSA-N 1 2 540.671 2.775 1 0 KFAFLO Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(N5CC[NH2+]CC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000144105738 562835770 /nfs/dbraw/zinc/83/57/70/562835770.db2.gz ZVHFIVWRGOXJQL-HSZRJFAPSA-N 1 2 540.671 2.775 1 0 KFAFLO Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccc(N5CC[NH2+]CC5)cc4)cc3s2)S(C)(=O)=O)o1 ZINC000144105738 562835769 /nfs/dbraw/zinc/83/57/69/562835769.db2.gz ZVHFIVWRGOXJQL-HSZRJFAPSA-N 1 2 540.671 2.775 1 0 KFAFLO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCCN6CCOCC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000144203635 562835887 /nfs/dbraw/zinc/83/58/87/562835887.db2.gz XRVVQEFQKPVPNM-UHFFFAOYSA-N 1 2 542.644 2.862 1 0 KFAFLO O=C(NC(CN1CCOCC1)C[NH+]1CCOCC1)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1 ZINC000144223986 562835971 /nfs/dbraw/zinc/83/59/71/562835971.db2.gz IFKJFCSRXGDOJH-UHFFFAOYSA-N 1 2 542.644 2.526 1 0 KFAFLO O=C(Nc1cc(C(=O)NCCCN2CCCC2=O)ccc1N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000144359255 562836195 /nfs/dbraw/zinc/83/61/95/562836195.db2.gz IQMJEXHTDOYZEW-UHFFFAOYSA-N 1 2 516.602 2.996 1 0 KFAFLO NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CC[NH2+]Cc1ccccc1 ZINC000145478438 562837114 /nfs/dbraw/zinc/83/71/14/562837114.db2.gz RYNJLIKKQPMLKS-DEOSSOPVSA-N 1 2 590.724 2.753 1 0 KFAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CC[NH2+]Cc1ccccc1 ZINC000145478438 562837113 /nfs/dbraw/zinc/83/71/13/562837113.db2.gz RYNJLIKKQPMLKS-DEOSSOPVSA-N 1 2 590.724 2.753 1 0 KFAFLO NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CC[NH2+]Cc1ccccc1 ZINC000145478635 562837127 /nfs/dbraw/zinc/83/71/27/562837127.db2.gz RYNJLIKKQPMLKS-XMMPIXPASA-N 1 2 590.724 2.753 1 0 KFAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CC[NH2+]Cc1ccccc1 ZINC000145478635 562837126 /nfs/dbraw/zinc/83/71/26/562837126.db2.gz RYNJLIKKQPMLKS-XMMPIXPASA-N 1 2 590.724 2.753 1 0 KFAFLO CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000145897537 562837732 /nfs/dbraw/zinc/83/77/32/562837732.db2.gz FYDZQEXUUIMLEQ-YLJYHZDGSA-N 1 2 544.081 2.550 1 0 KFAFLO CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000145897537 562837731 /nfs/dbraw/zinc/83/77/31/562837731.db2.gz FYDZQEXUUIMLEQ-YLJYHZDGSA-N 1 2 544.081 2.550 1 0 KFAFLO CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000145897744 562837717 /nfs/dbraw/zinc/83/77/17/562837717.db2.gz FYDZQEXUUIMLEQ-XLIONFOSSA-N 1 2 544.081 2.550 1 0 KFAFLO CN(C)C(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000145897744 562837716 /nfs/dbraw/zinc/83/77/16/562837716.db2.gz FYDZQEXUUIMLEQ-XLIONFOSSA-N 1 2 544.081 2.550 1 0 KFAFLO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCn1c[nH+]c(CCNC(=O)C3=NO[C@]4(C=C(Br)C(OC)=C(Br)[C@@H]4O)C3)c1)=NO2 ZINC000150609364 562848228 /nfs/dbraw/zinc/84/82/28/562848228.db2.gz PXZNXGGXUQRNRY-KBJUPQRZSA-N 1 2 898.198 2.891 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@H](O)[C@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000161835603 562849211 /nfs/dbraw/zinc/84/92/11/562849211.db2.gz KFBCFYNJFLJDPD-CTGDMVBZSA-N 1 2 631.793 2.815 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@H](O)[C@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000161835603 562849210 /nfs/dbraw/zinc/84/92/10/562849210.db2.gz KFBCFYNJFLJDPD-CTGDMVBZSA-N 1 2 631.793 2.815 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C ZINC000164836012 562849757 /nfs/dbraw/zinc/84/97/57/562849757.db2.gz UXEBFVSPJTVVLH-QJANCWQKSA-N 1 2 663.816 2.932 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)CC(=O)OC(C)C ZINC000164836012 562849756 /nfs/dbraw/zinc/84/97/56/562849756.db2.gz UXEBFVSPJTVVLH-QJANCWQKSA-N 1 2 663.816 2.932 1 0 KFAFLO CC(=O)OC[C@H]1O[C@@H](n2ncc3c2nc[nH+]c3SC/C=C/c2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000167543485 562850967 /nfs/dbraw/zinc/85/09/67/562850967.db2.gz WRVKLPRKUAMVFJ-VMKZXWPISA-N 1 2 526.571 2.956 1 0 KFAFLO C[N@H+]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000167955158 562851105 /nfs/dbraw/zinc/85/11/05/562851105.db2.gz RAUMKECENUNFIM-UHFFFAOYSA-N 1 2 556.612 2.526 1 0 KFAFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000167955158 562851104 /nfs/dbraw/zinc/85/11/04/562851104.db2.gz RAUMKECENUNFIM-UHFFFAOYSA-N 1 2 556.612 2.526 1 0 KFAFLO Cc1nc(N)cc(-c2cc([C@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 ZINC000169065921 562851618 /nfs/dbraw/zinc/85/16/18/562851618.db2.gz ROAUQXKGSRMILT-AWEZNQCLSA-N 1 2 548.073 2.833 1 0 KFAFLO Cc1nc(N)cc(-c2cc([C@@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 ZINC000169129004 562851629 /nfs/dbraw/zinc/85/16/29/562851629.db2.gz ROAUQXKGSRMILT-CQSZACIVSA-N 1 2 548.073 2.833 1 0 KFAFLO COP(=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)OC ZINC000169319228 562856198 /nfs/dbraw/zinc/85/61/98/562856198.db2.gz VMLZFVUGKIKCRS-QORCZRPOSA-N 1 2 623.688 2.951 1 0 KFAFLO COP(=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)OC ZINC000169319228 562856197 /nfs/dbraw/zinc/85/61/97/562856197.db2.gz VMLZFVUGKIKCRS-QORCZRPOSA-N 1 2 623.688 2.951 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322778 562856909 /nfs/dbraw/zinc/85/69/09/562856909.db2.gz AIOCUCLREXAXGU-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322778 562856908 /nfs/dbraw/zinc/85/69/08/562856908.db2.gz AIOCUCLREXAXGU-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322779 562856868 /nfs/dbraw/zinc/85/68/68/562856868.db2.gz AIOCUCLREXAXGU-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2ccccc2Br)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322779 562856867 /nfs/dbraw/zinc/85/68/67/562856867.db2.gz AIOCUCLREXAXGU-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322780 562856897 /nfs/dbraw/zinc/85/68/97/562856897.db2.gz PQPYJMUDZFZUCG-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322780 562856896 /nfs/dbraw/zinc/85/68/96/562856896.db2.gz PQPYJMUDZFZUCG-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322781 562856894 /nfs/dbraw/zinc/85/68/94/562856894.db2.gz PQPYJMUDZFZUCG-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2cccc(Br)c2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322781 562856893 /nfs/dbraw/zinc/85/68/93/562856893.db2.gz PQPYJMUDZFZUCG-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322782 562856877 /nfs/dbraw/zinc/85/68/77/562856877.db2.gz DRHCAYRPEKXRCZ-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322782 562856876 /nfs/dbraw/zinc/85/68/76/562856876.db2.gz DRHCAYRPEKXRCZ-JOCHJYFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322783 562856891 /nfs/dbraw/zinc/85/68/91/562856891.db2.gz DRHCAYRPEKXRCZ-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO C[N@H+](Cc1cn(Cc2ccc(Br)cc2)nn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169322783 562856890 /nfs/dbraw/zinc/85/68/90/562856890.db2.gz DRHCAYRPEKXRCZ-QFIPXVFZSA-N 1 2 518.366 2.978 1 0 KFAFLO CC(C)CNC(=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 ZINC000169323058 562856948 /nfs/dbraw/zinc/85/69/48/562856948.db2.gz ACSYCAMBFSXMIY-FWEHEUNISA-N 1 2 614.788 2.627 1 0 KFAFLO CC(C)CNC(=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 ZINC000169323058 562856947 /nfs/dbraw/zinc/85/69/47/562856947.db2.gz ACSYCAMBFSXMIY-FWEHEUNISA-N 1 2 614.788 2.627 1 0 KFAFLO CS(=O)(=O)CCOc1cnc(-c2nn(Cc3ccccc3F)c3c2CCC3)nc1Nc1cc[nH+]cc1C(N)=O ZINC000169341691 562860883 /nfs/dbraw/zinc/86/08/83/562860883.db2.gz FFVPQWXBEUUBMF-UHFFFAOYSA-N 1 2 551.604 2.677 1 0 in-vitro KFAFLO CNC(=O)c1cnc(N2CC[N@@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000169344110 562861319 /nfs/dbraw/zinc/86/13/19/562861319.db2.gz CIRUTWSJCAALLH-OAQYLSRUSA-N 1 2 506.434 2.988 1 0 KFAFLO CNC(=O)c1cnc(N2CC[N@H+](C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000169344110 562861318 /nfs/dbraw/zinc/86/13/18/562861318.db2.gz CIRUTWSJCAALLH-OAQYLSRUSA-N 1 2 506.434 2.988 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000169348923 562862390 /nfs/dbraw/zinc/86/23/90/562862390.db2.gz UBGPQKGLZLBDPE-HFZDXXHNSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1cccc(Cl)c1 ZINC000169348923 562862389 /nfs/dbraw/zinc/86/23/89/562862389.db2.gz UBGPQKGLZLBDPE-HFZDXXHNSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169349225 562862454 /nfs/dbraw/zinc/86/24/54/562862454.db2.gz WIUWJZGAVWPJKP-HFZDXXHNSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169349225 562862453 /nfs/dbraw/zinc/86/24/53/562862453.db2.gz WIUWJZGAVWPJKP-HFZDXXHNSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl ZINC000169349228 562862435 /nfs/dbraw/zinc/86/24/35/562862435.db2.gz LEHBRCOLRVRBBU-RXFWQSSRSA-N 1 2 553.077 2.934 1 0 KFAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl ZINC000169349228 562862434 /nfs/dbraw/zinc/86/24/34/562862434.db2.gz LEHBRCOLRVRBBU-RXFWQSSRSA-N 1 2 553.077 2.934 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349492 562862603 /nfs/dbraw/zinc/86/26/03/562862603.db2.gz BREKSMRQZMZPOF-GASGPIRDSA-N 1 2 901.544 2.560 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349492 562862602 /nfs/dbraw/zinc/86/26/02/562862602.db2.gz BREKSMRQZMZPOF-GASGPIRDSA-N 1 2 901.544 2.560 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349493 562862585 /nfs/dbraw/zinc/86/25/85/562862585.db2.gz BREKSMRQZMZPOF-IHZBLBIESA-N 1 2 901.544 2.560 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349493 562862584 /nfs/dbraw/zinc/86/25/84/562862584.db2.gz BREKSMRQZMZPOF-IHZBLBIESA-N 1 2 901.544 2.560 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349534 562862665 /nfs/dbraw/zinc/86/26/65/562862665.db2.gz HMZWVQZWNCKGKQ-GASGPIRDSA-N 1 2 810.093 2.609 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349534 562862664 /nfs/dbraw/zinc/86/26/64/562862664.db2.gz HMZWVQZWNCKGKQ-GASGPIRDSA-N 1 2 810.093 2.609 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349535 562862674 /nfs/dbraw/zinc/86/26/74/562862674.db2.gz HMZWVQZWNCKGKQ-IHZBLBIESA-N 1 2 810.093 2.609 1 0 KFAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349535 562862673 /nfs/dbraw/zinc/86/26/73/562862673.db2.gz HMZWVQZWNCKGKQ-IHZBLBIESA-N 1 2 810.093 2.609 1 0 KFAFLO CC(=O)O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/c2cn(C)c[nH+]2)[C@]2(C)C=C[C@@]1(O)O2 ZINC000169356603 562863856 /nfs/dbraw/zinc/86/38/56/562863856.db2.gz WRPLJTYNAMMOEE-TXILBGFKSA-N 1 2 642.746 2.590 1 0 KFAFLO CC(=O)O[C@H]1[C@H](O)[C@H](O)CO[C@H]1OC/C1=C/[C@@H]2[C@@H](C(C)C)CC=C(C)[C@@H]2C[C@H](OC(=O)/C=C/c2cn(C)c[nH+]2)[C@]2(C)C=C[C@@]1(OCCO)O2 ZINC000169358236 562863981 /nfs/dbraw/zinc/86/39/81/562863981.db2.gz QDPDQHAYQIHTLJ-QKYMPFSNSA-N 1 2 686.799 2.607 1 0 KFAFLO CCO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C[C@H]1C(CO)=CC[C@H](C(C)C)[C@H]1/C=C\2CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000169373621 562864908 /nfs/dbraw/zinc/86/49/08/562864908.db2.gz WGMACPOHVHGNET-GJELWXEWSA-N 1 2 686.799 2.607 1 0 KFAFLO CC(C)CN1CC[NH2+][C@@H]([C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)C1=O ZINC000169701581 562868075 /nfs/dbraw/zinc/86/80/75/562868075.db2.gz XVHBFKBJMOUAGF-GCJCAGDSSA-N 1 2 663.841 2.732 1 0 KFAFLO COCCN1CC[NH+](CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1 ZINC000169702260 562868346 /nfs/dbraw/zinc/86/83/46/562868346.db2.gz HYLUAZCXPZMUBL-UHFFFAOYSA-N 1 2 513.650 2.847 1 0 KFAFLO COc1ncc(Nc2ncc([C@@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2cc(N)nc(C)n2)cc1F ZINC000169703345 562868705 /nfs/dbraw/zinc/86/87/05/562868705.db2.gz COQMBKRHZBUCMI-LSDHHAIUSA-N 1 2 530.630 2.742 1 0 KFAFLO COc1ncc(Nc2ncc([C@@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2cc(N)nc(C)n2)cc1F ZINC000169703345 562868704 /nfs/dbraw/zinc/86/87/04/562868704.db2.gz COQMBKRHZBUCMI-LSDHHAIUSA-N 1 2 530.630 2.742 1 0 KFAFLO CN(C)S(=O)(=O)[C@@H]1CCN(c2[nH+]cnc3c2c(-c2cnn(C)c2-c2ccc(Cl)c(F)c2)nn3C)C1 ZINC000169706086 562869878 /nfs/dbraw/zinc/86/98/78/562869878.db2.gz IMRHJXOHXUVYEY-CQSZACIVSA-N 1 2 519.006 2.693 1 0 KFAFLO CN(C)S(=O)(=O)[C@H]1CCN(c2[nH+]cnc3c2c(-c2cnn(C)c2-c2ccc(Cl)c(F)c2)nn3C)C1 ZINC000169706087 562869862 /nfs/dbraw/zinc/86/98/62/562869862.db2.gz IMRHJXOHXUVYEY-AWEZNQCLSA-N 1 2 519.006 2.693 1 0 KFAFLO CN(C)S(=O)(=O)[C@@H]1CCN(c2[nH+]cnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706093 562869874 /nfs/dbraw/zinc/86/98/74/562869874.db2.gz IPKPLXKSYOPZPN-LJQANCHMSA-N 1 2 506.636 2.778 1 0 KFAFLO CN(C)S(=O)(=O)[C@H]1CCN(c2[nH+]cnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706094 562869852 /nfs/dbraw/zinc/86/98/52/562869852.db2.gz IPKPLXKSYOPZPN-IBGZPJMESA-N 1 2 506.636 2.778 1 0 KFAFLO CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713115 562871222 /nfs/dbraw/zinc/87/12/22/562871222.db2.gz CXHKFZTXXRBAAN-WBAQKLHDSA-N 1 2 565.756 2.821 1 0 KFAFLO CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169713115 562871221 /nfs/dbraw/zinc/87/12/21/562871221.db2.gz CXHKFZTXXRBAAN-WBAQKLHDSA-N 1 2 565.756 2.821 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)[C@@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000196032869 562872433 /nfs/dbraw/zinc/87/24/33/562872433.db2.gz KFBCFYNJFLJDPD-WRPZGQSPSA-N 1 2 631.793 2.815 1 0 KFAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)[C@@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000196032869 562872432 /nfs/dbraw/zinc/87/24/32/562872432.db2.gz KFBCFYNJFLJDPD-WRPZGQSPSA-N 1 2 631.793 2.815 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033330 562872475 /nfs/dbraw/zinc/87/24/75/562872475.db2.gz LAQXJGUAIIHFMN-NMAOWMNQSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033330 562872474 /nfs/dbraw/zinc/87/24/74/562872474.db2.gz LAQXJGUAIIHFMN-NMAOWMNQSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033341 562872470 /nfs/dbraw/zinc/87/24/70/562872470.db2.gz LAQXJGUAIIHFMN-PAEGRGQDSA-N 1 2 649.789 2.541 1 0 KFAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033341 562872469 /nfs/dbraw/zinc/87/24/69/562872469.db2.gz LAQXJGUAIIHFMN-PAEGRGQDSA-N 1 2 649.789 2.541 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033407 562872454 /nfs/dbraw/zinc/87/24/54/562872454.db2.gz JNHZXGXHSIXVBS-WFKKSYCUSA-N 1 2 619.763 2.917 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033407 562872453 /nfs/dbraw/zinc/87/24/53/562872453.db2.gz JNHZXGXHSIXVBS-WFKKSYCUSA-N 1 2 619.763 2.917 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033433 562872448 /nfs/dbraw/zinc/87/24/48/562872448.db2.gz JNHZXGXHSIXVBS-NDHWTPFQSA-N 1 2 619.763 2.917 1 0 KFAFLO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033433 562872447 /nfs/dbraw/zinc/87/24/47/562872447.db2.gz JNHZXGXHSIXVBS-NDHWTPFQSA-N 1 2 619.763 2.917 1 0 KFAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561470 562874004 /nfs/dbraw/zinc/87/40/04/562874004.db2.gz OSLYEXGCLGGXQD-HXUWFJFHSA-N 1 2 563.671 2.678 1 0 KFAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCN3CCCC(F)(F)C3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000203561470 562874003 /nfs/dbraw/zinc/87/40/03/562874003.db2.gz OSLYEXGCLGGXQD-HXUWFJFHSA-N 1 2 563.671 2.678 1 0 KFAFLO Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CC[NH+](CCN4CCOCC4)CC3)[nH]c21 ZINC000205654003 562875610 /nfs/dbraw/zinc/87/56/10/562875610.db2.gz QWUHGKRFNNTWLT-UHFFFAOYSA-N 1 2 529.649 2.500 1 0 KFAFLO Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCN(CC[NH+]4CCOCC4)CC3)[nH]c21 ZINC000205654003 562875609 /nfs/dbraw/zinc/87/56/09/562875609.db2.gz 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ZINC000222324320 562879794 /nfs/dbraw/zinc/87/97/94/562879794.db2.gz CWIGGXWQNPELPI-UHFFFAOYSA-N 1 2 550.067 2.845 1 0 KFAFLO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)N5CCN(CC[NH+]6CCOCC6)CC5)[nH]c4c(Cl)c3)n2)c1 ZINC000222324320 562879793 /nfs/dbraw/zinc/87/97/93/562879793.db2.gz CWIGGXWQNPELPI-UHFFFAOYSA-N 1 2 550.067 2.845 1 0 KFAFLO Nc1ccc(S(=O)(=O)N2CCN(c3[nH+]cc(C(O)(C(F)(F)F)C(F)(F)F)cc3C3CC3)CC2)cn1 ZINC000299826753 562884001 /nfs/dbraw/zinc/88/40/01/562884001.db2.gz HXJSEUWGSQNESP-UHFFFAOYSA-N 1 2 525.475 2.759 1 0 KFAFLO CCOC(=O)Cn1c(=O)c2c(nc(-c3ccc(OCCN(C)c4cccc[nH+]4)cc3)n2COC(=O)C(C)(C)C)n(C)c1=O ZINC000299829350 562884840 /nfs/dbraw/zinc/88/48/40/562884840.db2.gz TYBMTPKQHPXVQP-UHFFFAOYSA-N 1 2 592.653 2.584 1 0 KFAFLO Cc1c2ccccc2oc1C1CN(C(=O)/C=C/c2cnc3c(c2)CN(CC[NH+]2CCOCC2)CC(=O)N3)C1 ZINC000299832877 562886019 /nfs/dbraw/zinc/88/60/19/562886019.db2.gz UJLBDPRMLTVUFO-VOTSOKGWSA-N 1 2 515.614 2.862 1 0 KFAFLO CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc(-n3ccc4c3cccc4OC[C@@H]3CCS(=O)(=O)C3)cc[nH+]2)CC1 ZINC000299845000 562889421 /nfs/dbraw/zinc/88/94/21/562889421.db2.gz AHYIIKWTYMCFNB-FHWLQOOXSA-N 1 2 533.676 2.506 1 0 KFAFLO CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc(-n3ccc4c3cccc4OC[C@H]3CCS(=O)(=O)C3)cc[nH+]2)CC1 ZINC000299845002 562889423 /nfs/dbraw/zinc/88/94/23/562889423.db2.gz AHYIIKWTYMCFNB-GUDVDZBRSA-N 1 2 533.676 2.506 1 0 KFAFLO CS(=O)(=O)CCCOc1cccc2c1ccn2-c1cc[nH+]c(N[C@H]2CC[C@H](C(=O)N3CC[C@@H](O)C3)CC2)n1 ZINC000299845575 562889521 /nfs/dbraw/zinc/88/95/21/562889521.db2.gz JOAJAXWKPSMMPG-NJDAHSKKSA-N 1 2 541.674 2.798 1 0 KFAFLO COC(=O)[C@H](Cc1cn(C)c[nH+]1)NC(=O)[C@H](C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000299863725 562893933 /nfs/dbraw/zinc/89/39/33/562893933.db2.gz PSFXJEKDTRVFEG-BONVTDFDSA-N 1 2 509.407 2.868 1 0 KFAFLO COc1ncc(-c2ccc3nc(NC(=O)NCC[NH+]4CCOCC4)sc3c2)cc1NS(=O)(=O)C1CC1 ZINC000473113799 562898833 /nfs/dbraw/zinc/89/88/33/562898833.db2.gz KMNHIBFNIBQIEX-UHFFFAOYSA-N 1 2 532.648 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ZINC000473124106 562899599 /nfs/dbraw/zinc/89/95/99/562899599.db2.gz WFGIFQKKFYHUEG-UHFFFAOYSA-N 1 2 522.606 2.514 1 0 KFAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1 ZINC000473128621 562899950 /nfs/dbraw/zinc/89/99/50/562899950.db2.gz CYHQRHAWKLTJOW-UHFFFAOYSA-N 1 2 507.620 2.829 1 0 KFAFLO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000473164913 562902811 /nfs/dbraw/zinc/90/28/11/562902811.db2.gz DZHVASXHXQNSCO-UHFFFAOYSA-N 1 2 500.584 2.745 1 0 KFAFLO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000473164913 562902810 /nfs/dbraw/zinc/90/28/10/562902810.db2.gz DZHVASXHXQNSCO-UHFFFAOYSA-N 1 2 500.584 2.745 1 0 KFAFLO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(C[NH+]2CCN(CCO)CC2)cc1 ZINC000473164949 562902841 /nfs/dbraw/zinc/90/28/41/562902841.db2.gz GBCXGIVYNMTSKT-UHFFFAOYSA-N 1 2 530.654 2.923 1 0 KFAFLO O=C1COc2ccc(C[NH2+][C@@H]3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)C[C@@H]3F)nc2N1 ZINC000473170926 562903248 /nfs/dbraw/zinc/90/32/48/562903248.db2.gz SUSQQRMJLSDTHG-FCHUYYIVSA-N 1 2 545.575 2.512 1 0 KFAFLO COC[C@@]1(F)CCN(c2nc(N3CC[C@@](F)(COC)C3)cc(-c3cnc(N)c(OC(F)F)c3)[nH+]2)C1 ZINC000653668870 562906062 /nfs/dbraw/zinc/90/60/62/562906062.db2.gz IEXYMFPXSXZJCA-FCHUYYIVSA-N 1 2 500.497 2.852 1 0 KFAFLO COC[C@@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)[nH+]c(N3CC[C@](F)(COC)C3)n2)C1 ZINC000653668871 562906051 /nfs/dbraw/zinc/90/60/51/562906051.db2.gz IEXYMFPXSXZJCA-FGZHOGPDSA-N 1 2 500.497 2.852 1 0 KFAFLO COC[C@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)[nH+]c(N3CC[C@@](F)(COC)C3)n2)C1 ZINC000653668872 562906089 /nfs/dbraw/zinc/90/60/89/562906089.db2.gz IEXYMFPXSXZJCA-VXKWHMMOSA-N 1 2 500.497 2.852 1 0 KFAFLO COC[C@@]1(F)CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)[nH+]c(N3CC[C@@](F)(COC)C3)n2)C1 ZINC000653668873 562906093 /nfs/dbraw/zinc/90/60/93/562906093.db2.gz IEXYMFPXSXZJCA-YADHBBJMSA-N 1 2 500.497 2.852 1 0 KFAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H]4CC[C@@H](C3)N4C[C@H]([NH3+])C(=O)[O-])nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653706001 562907734 /nfs/dbraw/zinc/90/77/34/562907734.db2.gz KAWWLWBAIXGBJM-QCMGHPBJSA-N 1 2 580.999 2.954 1 0 KFAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCCN(C[C@H]([NH3+])C(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653706023 562907796 /nfs/dbraw/zinc/90/77/96/562907796.db2.gz PLQLLJRXARTOCI-LAUBAEHRSA-N 1 2 568.988 2.813 1 0 KFAFLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2nc(N3CCOCC3)c3c([nH+]2)CCS(=O)(=O)C3)CC1 ZINC000653715463 562908518 /nfs/dbraw/zinc/90/85/18/562908518.db2.gz MQJUOZJTMCPHPG-UHFFFAOYSA-N 1 2 575.013 2.810 1 0 KFAFLO COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(N)=O)C2CCCCC2)cc(OC)c1OC ZINC000653726724 562909227 /nfs/dbraw/zinc/90/92/27/562909227.db2.gz WDKLUIJPVYKSGL-HWBMXIPRSA-N 1 2 555.676 2.693 1 0 KFAFLO COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(N)=O)C2CCCCC2)cc(OC)c1OC ZINC000653726724 562909226 /nfs/dbraw/zinc/90/92/26/562909226.db2.gz WDKLUIJPVYKSGL-HWBMXIPRSA-N 1 2 555.676 2.693 1 0 KFAFLO COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(N)=O)C2CCCCC2)cc(OC)c1OC ZINC000653726726 562909217 /nfs/dbraw/zinc/90/92/17/562909217.db2.gz WDKLUIJPVYKSGL-SLSDLSHTSA-N 1 2 555.676 2.693 1 0 KFAFLO COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(N)=O)C2CCCCC2)cc(OC)c1OC ZINC000653726726 562909216 /nfs/dbraw/zinc/90/92/16/562909216.db2.gz WDKLUIJPVYKSGL-SLSDLSHTSA-N 1 2 555.676 2.693 1 0 KFAFLO CC1(C)C[N@H+](C2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CCC(F)(F)C4)n3)C2)CCO1 ZINC000653753082 562910797 /nfs/dbraw/zinc/91/07/97/562910797.db2.gz WPTIZQMPUQSTOZ-UHFFFAOYSA-N 1 2 511.524 2.867 1 0 KFAFLO CC1(C)C[N@@H+](C2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(N4CCC(F)(F)C4)n3)C2)CCO1 ZINC000653753082 562910796 /nfs/dbraw/zinc/91/07/96/562910796.db2.gz WPTIZQMPUQSTOZ-UHFFFAOYSA-N 1 2 511.524 2.867 1 0 KFAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3C[C@H]4C[C@@H](C3)N4C[C@H]([NH3+])C(=O)[O-])nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653798102 562913171 /nfs/dbraw/zinc/91/31/71/562913171.db2.gz UORFJCYHCGKVPL-ATUDVECKSA-N 1 2 566.972 2.564 1 0 KFAFLO COc1cc([C@@H]2C3=C(COC3=O)N(CC[NH+]3CCOCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821702 562914141 /nfs/dbraw/zinc/91/41/41/562914141.db2.gz VHZUNYDQQLWNFN-DEOSSOPVSA-N 1 2 510.543 2.536 1 0 KFAFLO COc1cc([C@H]2C3=C(COC3=O)N(CC[NH+]3CCOCC3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653821703 562914127 /nfs/dbraw/zinc/91/41/27/562914127.db2.gz VHZUNYDQQLWNFN-XMMPIXPASA-N 1 2 510.543 2.536 1 0 KFAFLO O=C(CNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O)Nc1ccc2c(c1)C(=Cc1c[nH]c[nH+]1)C(=O)N2 ZINC000653874656 562916636 /nfs/dbraw/zinc/91/66/36/562916636.db2.gz ZWERENZUADIUDM-JMIUGGIZSA-N 1 2 530.491 2.759 1 0 KFAFLO C[N@H+]1CCOC[C@@H]1COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000653903326 562917536 /nfs/dbraw/zinc/91/75/36/562917536.db2.gz MIVMDOZOBQDGCX-VLIAUNLRSA-N 1 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RVMITBUHIXGQRN-LOSJGSFVSA-N 1 2 515.618 2.553 3 0 KFAFLO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@@H+](Cc3cccs3)C[C@@H](CO)O2)cc(OC)c1OC ZINC000061905427 562703053 /nfs/dbraw/zinc/70/30/53/562703053.db2.gz KYALPWMKRPSWCA-LAUBAEHRSA-N 1 2 526.619 2.918 3 0 KFAFLO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@H+](Cc3cccs3)C[C@@H](CO)O2)cc(OC)c1OC ZINC000061905427 562703052 /nfs/dbraw/zinc/70/30/52/562703052.db2.gz KYALPWMKRPSWCA-LAUBAEHRSA-N 1 2 526.619 2.918 3 0 KFAFLO OC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)C[C@H](n2cnc3c2ncnc3N2CCN(c3ccccc3)CC2)O1 ZINC000061907263 562703103 /nfs/dbraw/zinc/70/31/03/562703103.db2.gz GBBBWCKJAYIUNI-BJKOFHAPSA-N 1 2 503.582 2.684 3 0 KFAFLO OC[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H](n2cnc3c2ncnc3N2CCN(c3ccccc3)CC2)O1 ZINC000061907263 562703102 /nfs/dbraw/zinc/70/31/02/562703102.db2.gz GBBBWCKJAYIUNI-BJKOFHAPSA-N 1 2 503.582 2.684 3 0 KFAFLO CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(C)cc1 ZINC000061947102 562704059 /nfs/dbraw/zinc/70/40/59/562704059.db2.gz FPVVTYIUVJIHHZ-JTNFPWQOSA-N 1 2 506.603 2.944 3 0 KFAFLO CC[C@@]1(C(=O)OC)[NH2+][C@H](CN(C)C(=O)Nc2ccc(Cl)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947114 562704036 /nfs/dbraw/zinc/70/40/36/562704036.db2.gz WZSMHWTZSARSTD-SBZFUYPRSA-N 1 2 512.994 2.899 3 0 KFAFLO CCN(C[C@H]1[NH2+][C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(Cl)cc1 ZINC000061947129 562704044 /nfs/dbraw/zinc/70/40/44/562704044.db2.gz DDPBWIPHJNYYFP-SBZFUYPRSA-N 1 2 512.994 2.899 3 0 KFAFLO COC(=O)[C@]1(C)[NH2+][C@H](CN(C)C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947232 562704042 /nfs/dbraw/zinc/70/40/42/562704042.db2.gz VWMHANAWXCCCHY-CPVANYHMSA-N 1 2 505.615 2.761 3 0 KFAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)CC1CC1)O2 ZINC000061947801 562704157 /nfs/dbraw/zinc/70/41/57/562704157.db2.gz PZAVBCBWTOAEAX-OBWXTZQISA-N 1 2 534.679 2.583 3 0 KFAFLO Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)CC1CC1)O2 ZINC000061947801 562704156 /nfs/dbraw/zinc/70/41/56/562704156.db2.gz PZAVBCBWTOAEAX-OBWXTZQISA-N 1 2 534.679 2.583 3 0 KFAFLO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C)C(C)C ZINC000066148735 562713698 /nfs/dbraw/zinc/71/36/98/562713698.db2.gz BXZZDTSHPVJKSG-HBHMWIPXSA-N 1 2 650.865 2.909 3 0 KFAFLO C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066167204 562714289 /nfs/dbraw/zinc/71/42/89/562714289.db2.gz QDTKDHHJICQYOJ-VNOSDSGASA-N 1 2 570.134 2.908 3 0 KFAFLO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072104555 562720494 /nfs/dbraw/zinc/72/04/94/562720494.db2.gz YTKBMKJCCBTXRZ-RVPQTZJASA-N 1 2 643.789 2.677 3 0 KFAFLO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072104556 562720498 /nfs/dbraw/zinc/72/04/98/562720498.db2.gz YTKBMKJCCBTXRZ-WHMROJOYSA-N 1 2 643.789 2.677 3 0 KFAFLO C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCOCC1 ZINC000072122060 562724375 /nfs/dbraw/zinc/72/43/75/562724375.db2.gz RGHKYBDKRODRND-CERFGUIQSA-N 1 2 567.090 2.709 3 0 KFAFLO CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127657 562725770 /nfs/dbraw/zinc/72/57/70/562725770.db2.gz SYIORIIQUUOFFN-BOCHCHAHSA-N 1 2 684.838 2.973 3 0 KFAFLO COc1cccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072135930 562727642 /nfs/dbraw/zinc/72/76/42/562727642.db2.gz APGDNZOLQBNHJT-MHZLTWQESA-N 1 2 583.649 2.969 3 0 KFAFLO COc1cccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000072135931 562727635 /nfs/dbraw/zinc/72/76/35/562727635.db2.gz APGDNZOLQBNHJT-HHHXNRCGSA-N 1 2 583.649 2.969 3 0 KFAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1)CC2 ZINC000072136170 562727767 /nfs/dbraw/zinc/72/77/67/562727767.db2.gz DTGVKANTKPYGQP-SANMLTNESA-N 1 2 523.597 2.951 3 0 KFAFLO O=C1NCN(c2ccccc2)C12CC[NH+]([C@@H](c1nnnn1-c1ccc3c(c1)OCCO3)c1ccccc1)CC2 ZINC000072136171 562727764 /nfs/dbraw/zinc/72/77/64/562727764.db2.gz DTGVKANTKPYGQP-AREMUKBSSA-N 1 2 523.597 2.951 3 0 KFAFLO CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072136658 562728108 /nfs/dbraw/zinc/72/81/08/562728108.db2.gz GBFHAKGZJBOCDT-HSZRJFAPSA-N 1 2 516.658 2.932 3 0 KFAFLO CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000072136659 562728106 /nfs/dbraw/zinc/72/81/06/562728106.db2.gz GBFHAKGZJBOCDT-QHCPKHFHSA-N 1 2 516.658 2.932 3 0 KFAFLO COc1ccc([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072137510 562728269 /nfs/dbraw/zinc/72/82/69/562728269.db2.gz FYTJZJYWLSJQSR-MHZLTWQESA-N 1 2 553.623 2.960 3 0 KFAFLO COc1ccc([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 ZINC000072137511 562728271 /nfs/dbraw/zinc/72/82/71/562728271.db2.gz FYTJZJYWLSJQSR-HHHXNRCGSA-N 1 2 553.623 2.960 3 0 KFAFLO CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072139819 562729064 /nfs/dbraw/zinc/72/90/64/562729064.db2.gz WHLHNSUGTSKAQS-OTGNDCNZSA-N 1 2 712.896 2.689 3 0 KFAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000072139853 562729093 /nfs/dbraw/zinc/72/90/93/562729093.db2.gz UQMQMRQBFPZTGV-DUSFWOOLSA-N 1 2 581.758 2.896 3 0 KFAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000072139854 562729088 /nfs/dbraw/zinc/72/90/88/562729088.db2.gz UQMQMRQBFPZTGV-QKVJJFNUSA-N 1 2 581.758 2.896 3 0 KFAFLO CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072139962 562729117 /nfs/dbraw/zinc/72/91/17/562729117.db2.gz FZRLQWLDUQAPTL-JOMWIRRTSA-N 1 2 679.218 2.864 3 0 KFAFLO CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(OC)cc1 ZINC000095565965 562764735 /nfs/dbraw/zinc/76/47/35/562764735.db2.gz XJPDSNKJJOFYLC-JTNFPWQOSA-N 1 2 522.602 2.644 3 0 KFAFLO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000095567389 562765721 /nfs/dbraw/zinc/76/57/21/562765721.db2.gz IZHJCLLLAZXXJX-PIKWUAAASA-N 1 2 613.763 2.668 3 0 KFAFLO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000095567390 562765742 /nfs/dbraw/zinc/76/57/42/562765742.db2.gz IZHJCLLLAZXXJX-NGCWJHASSA-N 1 2 613.763 2.668 3 0 KFAFLO COc1cccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000095569483 562767449 /nfs/dbraw/zinc/76/74/49/562767449.db2.gz ALBMORLODFNWSD-JOCHJYFZSA-N 1 2 505.623 2.963 3 0 KFAFLO COc1cccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1OC ZINC000095569484 562767451 /nfs/dbraw/zinc/76/74/51/562767451.db2.gz ALBMORLODFNWSD-QFIPXVFZSA-N 1 2 505.623 2.963 3 0 KFAFLO O=S1(=O)C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000095571080 562768814 /nfs/dbraw/zinc/76/88/14/562768814.db2.gz RVRXKPXWEJKXBP-HSZRJFAPSA-N 1 2 552.598 2.816 3 0 KFAFLO O=S1(=O)C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000095571081 562768791 /nfs/dbraw/zinc/76/87/91/562768791.db2.gz RVRXKPXWEJKXBP-QHCPKHFHSA-N 1 2 552.598 2.816 3 0 KFAFLO CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000095571132 562768825 /nfs/dbraw/zinc/76/88/25/562768825.db2.gz IBUAKRZVPMOGAB-SKYBXZRDSA-N 1 2 551.732 2.888 3 0 KFAFLO CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4ccccc4[nH]c3[C@]12C)C(C)C ZINC000095571133 562768855 /nfs/dbraw/zinc/76/88/55/562768855.db2.gz IBUAKRZVPMOGAB-BCIHLANJSA-N 1 2 551.732 2.888 3 0 KFAFLO O=S1(=O)C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000095571146 562768817 /nfs/dbraw/zinc/76/88/17/562768817.db2.gz MWKLIVLZFPSSEZ-HSZRJFAPSA-N 1 2 552.598 2.816 3 0 KFAFLO O=S1(=O)C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000095571147 562768852 /nfs/dbraw/zinc/76/88/52/562768852.db2.gz MWKLIVLZFPSSEZ-QHCPKHFHSA-N 1 2 552.598 2.816 3 0 KFAFLO COc1ccc(C[N@@H+]2C[C@H](n3cnc4c3ncnc4NCc3cc(OC)c(OC)c(OC)c3)O[C@H](CO)C2)cc1 ZINC000095600962 562779401 /nfs/dbraw/zinc/77/94/01/562779401.db2.gz BFQVEJIZUJUWRX-XUZZJYLKSA-N 1 2 550.616 2.865 3 0 KFAFLO COc1ccc(C[N@H+]2C[C@H](n3cnc4c3ncnc4NCc3cc(OC)c(OC)c(OC)c3)O[C@H](CO)C2)cc1 ZINC000095600962 562779400 /nfs/dbraw/zinc/77/94/00/562779400.db2.gz BFQVEJIZUJUWRX-XUZZJYLKSA-N 1 2 550.616 2.865 3 0 KFAFLO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C ZINC000095603103 562780330 /nfs/dbraw/zinc/78/03/30/562780330.db2.gz FMKORLLWCWHYJN-CERFGUIQSA-N 1 2 558.123 2.764 3 0 KFAFLO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H](CO)O2)cc(OC)c1OC ZINC000095604917 562781299 /nfs/dbraw/zinc/78/12/99/562781299.db2.gz ZPDWLIRFAFYNED-NZQKXSOJSA-N 1 2 538.580 2.995 3 0 KFAFLO COc1cc(CNc2ncnc3c2ncn3[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H](CO)O2)cc(OC)c1OC ZINC000095604917 562781298 /nfs/dbraw/zinc/78/12/98/562781298.db2.gz ZPDWLIRFAFYNED-NZQKXSOJSA-N 1 2 538.580 2.995 3 0 KFAFLO