smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)cccc1N1CCN(C(=O)[C@H]2C[C@H]3c4cccc5[nH]c(Br)c(c54)C[C@@H]3[N@H+](C)C2)CC1 ZINC000001493992 561676546 /nfs/dbraw/zinc/67/65/46/561676546.db2.gz AWFDCTXCTHGORH-MDKPJZGXSA-N 1 0 524.463 2.938 1 0 KFAFRO O=C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2c[nH+]ccc2n1CCO ZINC000002047638 561680527 /nfs/dbraw/zinc/68/05/27/561680527.db2.gz NZNFLUOJACWZKX-UHFFFAOYSA-N 1 0 505.021 2.930 1 0 in-vitro KFAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(CN(S(C)(=O)=O)c3ccccc32)CC1 ZINC000003644854 561682241 /nfs/dbraw/zinc/68/22/41/561682241.db2.gz BKQCTMOROFZQNH-HSZRJFAPSA-N 1 0 526.703 2.571 1 0 KFAFRO O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@H](CCNc1cc[nH+]cc1)C(=O)N1CCCCC1 ZINC000003807299 561682661 /nfs/dbraw/zinc/68/26/61/561682661.db2.gz BYERGKHVKYCCJM-XMMPIXPASA-N 1 0 509.632 2.513 1 0 KFAFRO O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1cc[nH+]cc1)C(=O)N1CCCCC1 ZINC000003807307 561682745 /nfs/dbraw/zinc/68/27/45/561682745.db2.gz BYERGKHVKYCCJM-DEOSSOPVSA-N 1 0 509.632 2.513 1 0 KFAFRO CCNC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000003812535 561682729 /nfs/dbraw/zinc/68/27/29/561682729.db2.gz ZVVWWWVWXXPEKK-RNAHPLFWSA-N 1 0 517.674 2.920 1 0 KFAFRO CC1(C)CNc2c(cc(Cl)cc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CCF)CC2)C1 ZINC000003831737 561683558 /nfs/dbraw/zinc/68/35/58/561683558.db2.gz DDNJWQZIYMDCCH-IBGZPJMESA-N 1 0 545.125 2.843 1 0 KFAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)N3CCC3)ccc12 ZINC000003916653 561684993 /nfs/dbraw/zinc/68/49/93/561684993.db2.gz NZFSPDVTABQASR-QGZVFWFLSA-N 1 0 609.532 2.863 1 0 KFAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(N)=O)cc2)C1=O)[NH2+]C[C@H](O)CO ZINC000003916983 561685161 /nfs/dbraw/zinc/68/51/61/561685161.db2.gz XMMKMRVRJKFURR-RPLLCQBOSA-N 1 0 558.679 2.528 1 0 KFAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000003917830 561685350 /nfs/dbraw/zinc/68/53/50/561685350.db2.gz OJRRBEWDZUVRAD-UHFFFAOYSA-N 1 0 708.578 2.700 1 0 KFAFRO C=C(Cl)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000003917836 561685359 /nfs/dbraw/zinc/68/53/59/561685359.db2.gz YQWPKEBINQQGPJ-UHFFFAOYSA-N 1 0 664.127 2.544 1 0 KFAFRO CCOC(=O)[C@]1(Cc2cscn2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000003920909 561685805 /nfs/dbraw/zinc/68/58/05/561685805.db2.gz OBEWNICYLBRJEM-AMGIVPHBSA-N 1 0 525.675 2.804 1 0 KFAFRO [NH3+]C1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1 ZINC000003922692 561685992 /nfs/dbraw/zinc/68/59/92/561685992.db2.gz LGVOTNOMAMGKRU-XHRNTERESA-N 1 0 701.913 2.841 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000003931234 561687527 /nfs/dbraw/zinc/68/75/27/561687527.db2.gz OQHZMGOXOOOFEE-SYQUUIDJSA-N 1 0 686.847 2.807 1 0 KFAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003933987 561688166 /nfs/dbraw/zinc/68/81/66/561688166.db2.gz NDWMYLXWQINBEW-WUFINQPMSA-N 1 0 640.807 2.751 1 0 KFAFRO Cn1c(=O)cccc1N1CCN(C(=O)[C@@H]2C[C@@H]3c4cccc5[nH]c(Br)c(c54)C[C@H]3[N@H+](C)C2)CC1 ZINC000003936044 561688410 /nfs/dbraw/zinc/68/84/10/561688410.db2.gz AWFDCTXCTHGORH-HGHGUNKESA-N 1 0 524.463 2.938 1 0 KFAFRO CC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](CCCc2ccccc2)NC(=O)C(C)(C)[NH3+])CC1 ZINC000003939325 561689041 /nfs/dbraw/zinc/68/90/41/561689041.db2.gz QCGNRHCOOWDSHI-XMMPIXPASA-N 1 0 543.734 2.730 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(O)C(C)(C)C ZINC000003943925 561689664 /nfs/dbraw/zinc/68/96/64/561689664.db2.gz QRYXFTOKZCERLS-UXCFUVIDSA-N 1 0 571.759 2.958 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)C(C)(C)C ZINC000003943927 561689674 /nfs/dbraw/zinc/68/96/74/561689674.db2.gz MCANFYCTILPEOD-KDDYYSGWSA-N 1 0 557.732 2.568 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccc(F)c(F)c3)[C@H](Cc3ccccc3)C2)c1 ZINC000003944389 561689737 /nfs/dbraw/zinc/68/97/37/561689737.db2.gz PUKARVRQDSPFPB-ZEQKJWHPSA-N 1 0 599.704 2.990 1 0 KFAFRO CS(=O)(=O)Nc1cccc(COCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000003944470 561689771 /nfs/dbraw/zinc/68/97/71/561689771.db2.gz VNMPYMOGIPEHPS-VWLOTQADSA-N 1 0 510.653 2.673 1 0 KFAFRO COC(=O)C1=C(C)NC(=O)N(CC(=O)NCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000003960913 561691143 /nfs/dbraw/zinc/69/11/43/561691143.db2.gz OYHBIUUZIRTADX-SANMLTNESA-N 1 0 584.620 2.801 1 0 KFAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1cccc2c1OCCO2 ZINC000003963632 561691307 /nfs/dbraw/zinc/69/13/07/561691307.db2.gz ZYZBLIGDGMDADS-UHFFFAOYSA-N 1 0 560.692 2.581 1 0 KFAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCC[NH+]2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000003973197 561691800 /nfs/dbraw/zinc/69/18/00/561691800.db2.gz ADUIJXDMGJPFBW-CKXMCULTSA-N 1 0 614.751 2.723 1 0 KFAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH2+]CCC(=O)[O-])C(c2ccccc2)c2ccccc2)s1 ZINC000003979098 561692208 /nfs/dbraw/zinc/69/22/08/561692208.db2.gz OJURMMJZOIFSGO-BKMJKUGQSA-N 1 0 547.681 2.904 1 0 KFAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=[NH2+])NC)n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000003979506 561692292 /nfs/dbraw/zinc/69/22/92/561692292.db2.gz SQDMDCRADRDVPC-UHFFFAOYSA-N 1 0 722.605 2.961 1 0 KFAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=[NH2+])NO)n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000003979511 561692198 /nfs/dbraw/zinc/69/21/98/561692198.db2.gz NLDNUHZUHJBEGL-UHFFFAOYSA-N 1 0 724.577 2.721 1 0 KFAFRO NS(=O)(=O)Cc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000003989231 561693171 /nfs/dbraw/zinc/69/31/71/561693171.db2.gz ZXQIEANXCQRVSZ-SANMLTNESA-N 1 0 508.681 2.896 1 0 KFAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)[NH+](C)C ZINC000004098807 561693892 /nfs/dbraw/zinc/69/38/92/561693892.db2.gz KOTXAHKUCAQPQA-MCBQMXOVSA-N 1 0 641.758 2.819 1 0 in-vitro KFAFRO CCOC(=O)CC[C@H](NC(=O)c1ccc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc1)C(=O)OCC ZINC000005385551 561695742 /nfs/dbraw/zinc/69/57/42/561695742.db2.gz FIITZYADNJQCEM-FQEVSTJZSA-N 1 0 508.579 2.720 1 0 KFAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc(N=O)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)OC)[C@@H]1O)[C@@H]32 ZINC000005596473 561697378 /nfs/dbraw/zinc/69/73/78/561697378.db2.gz CHTBCXVHHSLSTN-PXZKFQQASA-N 1 0 629.714 2.677 1 0 KFAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCCN3CCCC3=O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000005842096 561699263 /nfs/dbraw/zinc/69/92/63/561699263.db2.gz IIBZXEMUIIKKNS-PKNULQPYSA-N 1 0 524.570 2.716 1 0 KFAFRO O=C(CC[N@H+]1CCC[C@H](O)[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000005941816 561700528 /nfs/dbraw/zinc/70/05/28/561700528.db2.gz TUGQVTWXMDXVPK-SVBPBHIXSA-N 1 0 502.611 2.998 1 0 KFAFRO O=C(CC[N@H+]1CCC[C@@H](O)[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000005941819 561700534 /nfs/dbraw/zinc/70/05/34/561700534.db2.gz TUGQVTWXMDXVPK-RRPNLBNLSA-N 1 0 502.611 2.998 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000008035127 561704237 /nfs/dbraw/zinc/70/42/37/561704237.db2.gz DEQITUUQPICUMR-OQOHXVGSSA-N 1 0 611.743 2.717 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000008035444 561704425 /nfs/dbraw/zinc/70/44/25/561704425.db2.gz DEQITUUQPICUMR-SOHPDWABSA-N 1 0 611.743 2.717 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000008035536 561704458 /nfs/dbraw/zinc/70/44/58/561704458.db2.gz DEQITUUQPICUMR-CJPIRBFGSA-N 1 0 611.743 2.717 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000008035998 561705010 /nfs/dbraw/zinc/70/50/10/561705010.db2.gz DEQITUUQPICUMR-MCESOPIDSA-N 1 0 611.743 2.717 1 0 in-vitro KFAFRO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCN(c3cc(Cl)ccc3C)CC1)C(=O)CO2 ZINC000008604292 561706265 /nfs/dbraw/zinc/70/62/65/561706265.db2.gz MVXPAKIPBLQCDB-UHFFFAOYSA-N 1 0 592.162 2.733 1 0 KFAFRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(c1ccccc1)c1ccccc1 ZINC000013440089 561712453 /nfs/dbraw/zinc/71/24/53/561712453.db2.gz GXBBKYOZISZBTD-AHKZPQOWSA-N 1 0 511.626 2.915 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000013472300 561714226 /nfs/dbraw/zinc/71/42/26/561714226.db2.gz JQERUKPESNWSQA-UIOOFZCWSA-N 1 0 500.599 2.587 1 0 in-vivo KFAFRO CNNC(=[NH2+])c1cccc(/C(C)=C2/CC(=O)N(c3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2=O)c1 ZINC000013487194 561715170 /nfs/dbraw/zinc/71/51/70/561715170.db2.gz XGUNBWTZXGYVPQ-JWGURIENSA-N 1 0 503.584 2.787 1 0 KFAFRO [NH3+]CC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc(N3CCOCC3)cc2)CC1 ZINC000013492165 561716233 /nfs/dbraw/zinc/71/62/33/561716233.db2.gz UDGMVUGWIIYQOU-UHFFFAOYSA-N 1 0 500.603 2.734 1 0 KFAFRO CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000013493973 561716665 /nfs/dbraw/zinc/71/66/65/561716665.db2.gz OCRVXYBQYJBRFX-DNQXCXABSA-N 1 0 502.619 2.625 1 0 KFAFRO CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH2+]C ZINC000013493974 561716679 /nfs/dbraw/zinc/71/66/79/561716679.db2.gz LGZCTGHFNMARJF-JWQCQUIFSA-N 1 0 516.646 2.886 1 0 KFAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000013493975 561716797 /nfs/dbraw/zinc/71/67/97/561716797.db2.gz ZFGYWDOYPORYJS-CLJLJLNGSA-N 1 0 516.646 2.838 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH+](C)C ZINC000013493976 561716768 /nfs/dbraw/zinc/71/67/68/561716768.db2.gz WWVOLAXACGYVCQ-CLJLJLNGSA-N 1 0 516.646 2.838 1 0 KFAFRO COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CC[NH+](C)CC4)c3c3nc(-c4ccco4)nn32)cc1 ZINC000013493999 561716772 /nfs/dbraw/zinc/71/67/72/561716772.db2.gz HVXDWPXMPDWBAE-UHFFFAOYSA-N 1 0 502.539 2.675 1 0 KFAFRO COC(=O)c1cccc(-c2c(Cl)nc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000013527107 561717378 /nfs/dbraw/zinc/71/73/78/561717378.db2.gz GFGNHPOSNOKKFY-UHFFFAOYSA-N 1 0 510.982 2.771 1 0 KFAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCOc2ccc(Cl)cc2CN1 ZINC000013537332 561718038 /nfs/dbraw/zinc/71/80/38/561718038.db2.gz CMWNPSRVBDCXMR-IBGZPJMESA-N 1 0 502.402 2.872 1 0 KFAFRO O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCC[NH+](CCO)CCOCCn1cc2c2ccccc21 ZINC000013538504 561718013 /nfs/dbraw/zinc/71/80/13/561718013.db2.gz YZCCPMVBDYCXOW-UHFFFAOYSA-N 1 0 528.609 2.504 1 0 KFAFRO Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1CC[NH3+] ZINC000013553589 561718437 /nfs/dbraw/zinc/71/84/37/561718437.db2.gz PKMVBAREXJLXPX-UHFFFAOYSA-N 1 0 503.024 2.570 1 0 KFAFRO COc1ccccc1N1CC[NH+](CCCCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1 ZINC000013558465 561719311 /nfs/dbraw/zinc/71/93/11/561719311.db2.gz GPXQIXHQQXZBNE-UHFFFAOYSA-N 1 0 534.661 2.800 1 0 KFAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccccc3Cl)n[nH]2)CC1)C1CCCCC1 ZINC000013579773 561719915 /nfs/dbraw/zinc/71/99/15/561719915.db2.gz KJRKFAQMFMFHRL-HSZRJFAPSA-N 1 0 500.047 2.984 1 0 KFAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3cccc(Cl)c3)n[nH]2)CC1)C1CCCCC1 ZINC000013579776 561719930 /nfs/dbraw/zinc/71/99/30/561719930.db2.gz WCMOUAYBYZSGND-HSZRJFAPSA-N 1 0 500.047 2.984 1 0 KFAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2cc(-c3ccc(O)cc3Cl)n[nH]2)CC1)C1CCCCC1 ZINC000013579784 561719925 /nfs/dbraw/zinc/71/99/25/561719925.db2.gz XANLXYJFKAWHLL-HSZRJFAPSA-N 1 0 516.046 2.690 1 0 KFAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000013580776 561720108 /nfs/dbraw/zinc/72/01/08/561720108.db2.gz RNTPEWHLIMLKSF-GSDHBNRESA-N 1 0 500.599 2.619 1 0 KFAFRO [NH3+]Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000013586739 561720502 /nfs/dbraw/zinc/72/05/02/561720502.db2.gz MJWHBKTUULEGMJ-KAYWLYCHSA-N 1 0 532.088 2.889 1 0 KFAFRO CC[C@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000013609894 561721895 /nfs/dbraw/zinc/72/18/95/561721895.db2.gz AYROLJPKHSVESL-ORYQBLKBSA-N 1 0 511.200 2.641 1 0 KFAFRO CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1=CCC[NH2+]C1 ZINC000013648763 561722821 /nfs/dbraw/zinc/72/28/21/561722821.db2.gz TZDUGNSHEUDISW-PSKLOVCDSA-N 1 0 520.715 2.618 1 0 KFAFRO CC(C)[NH2+]CCCn1c(Cc2cc3c(cc2I)OCO3)nc2c1nc(F)nc2N ZINC000013679217 561724528 /nfs/dbraw/zinc/72/45/28/561724528.db2.gz JPPCGDGMQGJGQK-UHFFFAOYSA-N 1 0 512.327 2.860 1 0 in-vitro KFAFRO CC(C)OC(=O)COc1ccc(C(=O)CN(C)C(=O)c2ccc(C(N)=[NH2+])cc2)cc1OCC(=O)OC(C)C ZINC000013757280 561727249 /nfs/dbraw/zinc/72/72/49/561727249.db2.gz BRJFTQQLNZMLLD-UHFFFAOYSA-N 1 0 527.574 2.586 1 0 KFAFRO COc1cc(F)ccc1N1CC[NH+](CCCNc2c(C(=O)N(C)C)cnc3c(C(N)=O)cccc32)CC1 ZINC000013764592 561728290 /nfs/dbraw/zinc/72/82/90/561728290.db2.gz KUHDDXGXESLIIG-UHFFFAOYSA-N 1 0 508.598 2.807 1 0 KFAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)[NH3+])C1 ZINC000013780014 561728939 /nfs/dbraw/zinc/72/89/39/561728939.db2.gz BDWRGULISJDHBH-GIGWZHCTSA-N 1 0 509.647 2.840 1 0 KFAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)[NH3+])C1 ZINC000013780015 561728920 /nfs/dbraw/zinc/72/89/20/561728920.db2.gz MSJQBLZPRLVWGV-HSAZJEJNSA-N 1 0 504.631 2.957 1 0 KFAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000013780017 561728924 /nfs/dbraw/zinc/72/89/24/561728924.db2.gz OBPYTJRDWSFOAK-GIGWZHCTSA-N 1 0 504.631 2.957 1 0 KFAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](COCc1ccccc1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000013781191 561729316 /nfs/dbraw/zinc/72/93/16/561729316.db2.gz XWYYKUODLCJVGU-CHPXNICDSA-N 1 0 508.663 2.530 1 0 KFAFRO COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013782877 561729835 /nfs/dbraw/zinc/72/98/35/561729835.db2.gz KCDSCNQVYBHSRN-BJKOFHAPSA-N 1 0 522.627 2.568 1 0 KFAFRO COCC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799310 561730291 /nfs/dbraw/zinc/73/02/91/561730291.db2.gz KUXGIJZKHAPBOL-SANMLTNESA-N 1 0 521.599 2.823 1 0 KFAFRO COCC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799314 561730431 /nfs/dbraw/zinc/73/04/31/561730431.db2.gz KUXGIJZKHAPBOL-AREMUKBSSA-N 1 0 521.599 2.823 1 0 KFAFRO CCOC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799326 561730393 /nfs/dbraw/zinc/73/03/93/561730393.db2.gz BYLDDEKOPBHCIK-AREMUKBSSA-N 1 0 521.599 2.823 1 0 KFAFRO CCOC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799330 561730396 /nfs/dbraw/zinc/73/03/96/561730396.db2.gz BYLDDEKOPBHCIK-SANMLTNESA-N 1 0 521.599 2.823 1 0 KFAFRO COc1ccc2ccc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cc(C(N)=[NH2+])ccc4NC(C)=O)C3=O)cc2c1 ZINC000013800313 561730503 /nfs/dbraw/zinc/73/05/03/561730503.db2.gz XGLNNPQGQSORDQ-DEOSSOPVSA-N 1 0 523.615 2.512 1 0 KFAFRO Cc1cc(C)c(S(=O)(=O)NCCNC(=O)c2ccc3c(cnn3CCCNc3[nH]cc[nH+]3)c2)c(C)c1 ZINC000013803667 561731173 /nfs/dbraw/zinc/73/11/73/561731173.db2.gz KZWXURXERGGSGN-UHFFFAOYSA-N 1 0 509.636 2.895 1 0 KFAFRO CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000013819016 561732407 /nfs/dbraw/zinc/73/24/07/561732407.db2.gz IRJBKQCEXBHFKJ-QHCPKHFHSA-N 1 0 534.679 2.600 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH3+])CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000013973051 561735879 /nfs/dbraw/zinc/73/58/79/561735879.db2.gz QTKCWSWFIHFYPN-YSIASYRMSA-N 1 0 508.566 2.952 1 0 KFAFRO COC(=O)C1=C(C)NC(=O)N(CC(=O)NCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096233 561736392 /nfs/dbraw/zinc/73/63/92/561736392.db2.gz OYHBIUUZIRTADX-AREMUKBSSA-N 1 0 584.620 2.801 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH3+])CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000014165531 561737211 /nfs/dbraw/zinc/73/72/11/561737211.db2.gz QTKCWSWFIHFYPN-YZGWKJHDSA-N 1 0 508.566 2.952 1 0 KFAFRO COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Br)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000014209804 561737821 /nfs/dbraw/zinc/73/78/21/561737821.db2.gz JPJCBKFCBLFFDG-IBGZPJMESA-N 1 0 559.367 2.959 1 0 KFAFRO COc1cccc(-n2c(=O)n(Cc3ccccc3OC(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000014209806 561737782 /nfs/dbraw/zinc/73/77/82/561737782.db2.gz LJJACIKIUOHOLD-SFHVURJKSA-N 1 0 546.477 2.956 1 0 KFAFRO CCCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OC(=O)CN(C)C(=O)C[NH3+] ZINC000014211051 561738063 /nfs/dbraw/zinc/73/80/63/561738063.db2.gz CWJSAEZZZABNRI-HKBQPEDESA-N 1 0 586.649 2.588 1 0 investigational KFAFRO CC(C)c1sc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCC[NH+](C)C ZINC000014880289 561739964 /nfs/dbraw/zinc/73/99/64/561739964.db2.gz VDYCDKRATGWFDA-UHFFFAOYSA-N 1 0 542.666 2.698 1 0 in-vivo KFAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000014880363 561740036 /nfs/dbraw/zinc/74/00/36/561740036.db2.gz WHLPIOSHBKQGHA-KYJUHHDHSA-N 1 0 596.817 2.934 1 0 in-vivo KFAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@H](CO)C(=O)N[C@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000014880369 561740044 /nfs/dbraw/zinc/74/00/44/561740044.db2.gz WHLPIOSHBKQGHA-LOYHVIPDSA-N 1 0 596.817 2.934 1 0 in-vivo KFAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000014943036 561740557 /nfs/dbraw/zinc/74/05/57/561740557.db2.gz GIJVOAULRYJRGU-HLXSIYPQSA-N 1 0 501.668 2.879 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2COC[C@@H]12 ZINC000014943076 561740773 /nfs/dbraw/zinc/74/07/73/561740773.db2.gz FKIFLFSCPVYJLA-WWHGPYDISA-N 1 0 557.732 2.894 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC000014943104 561740754 /nfs/dbraw/zinc/74/07/54/561740754.db2.gz HFYNRTHTPCWYOT-CXSMSNRLSA-N 1 0 544.693 2.965 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCO)cc1)NC(=O)OC(C)(C)C ZINC000014943108 561740904 /nfs/dbraw/zinc/74/09/04/561740904.db2.gz IAXLWGCXGGUUOU-YVHASNINSA-N 1 0 603.757 2.941 1 0 KFAFRO CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)NC1=O ZINC000014943176 561741053 /nfs/dbraw/zinc/74/10/53/561741053.db2.gz ICLGGNKOSYUHKP-XHPANXIASA-N 1 0 645.867 2.959 1 0 KFAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000014943220 561741155 /nfs/dbraw/zinc/74/11/55/561741155.db2.gz XIGPLWIWPRXMTR-XQVMISGQSA-N 1 0 530.669 2.613 1 0 KFAFRO CC(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)C ZINC000014943229 561741133 /nfs/dbraw/zinc/74/11/33/561741133.db2.gz GGPQYYBWHUUZFL-QEGGNFSNSA-N 1 0 515.651 2.790 1 0 KFAFRO CC(C)(CCC[NH3+])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000014944655 561742534 /nfs/dbraw/zinc/74/25/34/561742534.db2.gz VBKYKUHUVHNPMS-KTJDEMTHSA-N 1 0 633.764 2.631 1 0 KFAFRO O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)NCC[NH+]4CCCC4)s3)n[nH]c1-2)NN1CCOCC1 ZINC000014945257 561742843 /nfs/dbraw/zinc/74/28/43/561742843.db2.gz LPWQPAVIASHHDH-UHFFFAOYSA-N 1 0 535.630 2.544 1 0 KFAFRO O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)NCC[NH+]4CCCCC4)s3)n[nH]c1-2)NN1CCOCC1 ZINC000014945260 561742831 /nfs/dbraw/zinc/74/28/31/561742831.db2.gz DRFWJAMDERWNIY-UHFFFAOYSA-N 1 0 549.657 2.934 1 0 KFAFRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000014945265 561742859 /nfs/dbraw/zinc/74/28/59/561742859.db2.gz HLGCSLMBLWDVMC-MRXNPFEDSA-N 1 0 549.657 2.885 1 0 KFAFRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000014945267 561742856 /nfs/dbraw/zinc/74/28/56/561742856.db2.gz HLGCSLMBLWDVMC-INIZCTEOSA-N 1 0 549.657 2.885 1 0 KFAFRO C[NH+](C)C1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000014945270 561742792 /nfs/dbraw/zinc/74/27/92/561742792.db2.gz YODAGILQPAIXJL-UHFFFAOYSA-N 1 0 549.657 2.885 1 0 KFAFRO CC[N@@H+]1CCCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000014945281 561743006 /nfs/dbraw/zinc/74/30/06/561743006.db2.gz YTFJMKJTQLEWMB-UHFFFAOYSA-N 1 0 549.657 2.886 1 0 KFAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccc(-c2cccc(N)c2)cc1)C(N)=O ZINC000014945943 561743495 /nfs/dbraw/zinc/74/34/95/561743495.db2.gz WZWJMQITDGALOZ-YRCZKMHPSA-N 1 0 622.770 2.860 1 0 KFAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1cccc(-c2cccc(N)c2)c1)C(N)=O ZINC000014945946 561743498 /nfs/dbraw/zinc/74/34/98/561743498.db2.gz QSSRCISVYCPJDP-YRCZKMHPSA-N 1 0 622.770 2.860 1 0 KFAFRO [NH3+][C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 ZINC000014948264 561744832 /nfs/dbraw/zinc/74/48/32/561744832.db2.gz FEFCYNYYEURJOF-GGAORHGYSA-N 1 0 513.038 2.565 1 0 KFAFRO CC(C)N(CC[NH+](C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950037 561745431 /nfs/dbraw/zinc/74/54/31/561745431.db2.gz HYHOSSUACIGAJZ-JTSKRJEESA-N 1 0 509.072 2.560 1 0 KFAFRO CC(C)N(CC[NH+]1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950076 561745499 /nfs/dbraw/zinc/74/54/99/561745499.db2.gz SBQDLUVJUKCCRM-LVXARBLLSA-N 1 0 606.189 2.682 1 0 KFAFRO COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5C[N@@H+]5CC[C@@H](O)C5)cc4)c(=O)c32)cc1 ZINC000014950529 561745580 /nfs/dbraw/zinc/74/55/80/561745580.db2.gz BCRNYPLFVPQVNH-HSZRJFAPSA-N 1 0 536.592 2.913 1 0 KFAFRO NC(=[NH2+])c1cccc(-n2nc(Cn3cnnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000014950710 561745755 /nfs/dbraw/zinc/74/57/55/561745755.db2.gz BYZNFHGPFLCXLX-UHFFFAOYSA-N 1 0 503.530 2.782 1 0 KFAFRO NC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014951042 561745858 /nfs/dbraw/zinc/74/58/58/561745858.db2.gz SRNISDFDJIOHDQ-CBQOVEMMSA-N 1 0 505.644 2.788 1 0 KFAFRO NC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000014951045 561745898 /nfs/dbraw/zinc/74/58/98/561745898.db2.gz SRNISDFDJIOHDQ-UZKOGDIHSA-N 1 0 505.644 2.788 1 0 KFAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000014951597 561746124 /nfs/dbraw/zinc/74/61/24/561746124.db2.gz QIEQHELVMOSWLZ-YSSFQJQWSA-N 1 0 627.599 2.799 1 0 KFAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000014951613 561746136 /nfs/dbraw/zinc/74/61/36/561746136.db2.gz YBHHKOLSBRYOCJ-FKBYEOEOSA-N 1 0 587.747 2.556 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@H]2C[C@H]3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000014951999 561746225 /nfs/dbraw/zinc/74/62/25/561746225.db2.gz DEQITUUQPICUMR-YBKGOSCOSA-N 1 0 611.743 2.717 1 0 KFAFRO CCS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CC2)c(OC)cc1I ZINC000014953434 560227828 /nfs/dbraw/zinc/22/78/28/560227828.db2.gz QICCKJBXMXZXJQ-AWEZNQCLSA-N 1 0 506.406 2.698 1 0 in-vitro KFAFRO CCS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CC2)c(OC)cc1I ZINC000014953439 560227788 /nfs/dbraw/zinc/22/77/88/560227788.db2.gz QICCKJBXMXZXJQ-CQSZACIVSA-N 1 0 506.406 2.698 1 0 in-vitro KFAFRO COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)[C@@H](CCC[NH3+])OC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014953672 561746732 /nfs/dbraw/zinc/74/67/32/561746732.db2.gz YNZTXXJJMMCOOY-IWVFXYMLSA-N 1 0 573.756 2.815 1 0 KFAFRO CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1 ZINC000014955383 581095678 /nfs/dbraw/zinc/09/56/78/581095678.db2.gz PWHBUXLKTXHYAP-QHCPKHFHSA-N 1 0 519.602 2.984 1 0 in-vitro KFAFRO [NH3+][C@H]1CN(c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000014958749 561748063 /nfs/dbraw/zinc/74/80/63/561748063.db2.gz SDCAYDSIXAYUNR-GCJKJVERSA-N 1 0 519.549 2.513 1 0 KFAFRO CN(c1cc(C(=O)Cc2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1)S(C)(=O)=O ZINC000014960369 561748241 /nfs/dbraw/zinc/74/82/41/561748241.db2.gz ZLIGYLWVTNRPAU-LMSSTIIKSA-N 1 0 549.693 2.962 1 0 KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc([C@@H](O)Cc2ccccc2)c1)S(C)(=O)=O ZINC000014960373 561748251 /nfs/dbraw/zinc/74/82/51/561748251.db2.gz AEBVIYPNYVSQQN-YTCPBCGMSA-N 1 0 551.709 2.813 1 0 KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc([C@H](O)Cc2ccccc2)c1)S(C)(=O)=O ZINC000014960377 561748336 /nfs/dbraw/zinc/74/83/36/561748336.db2.gz AEBVIYPNYVSQQN-ZGIBFIJWSA-N 1 0 551.709 2.813 1 0 KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(C(=O)c2ccccc2)c1)S(C)(=O)=O ZINC000014960381 561748331 /nfs/dbraw/zinc/74/83/31/561748331.db2.gz WCVRLSCSQDAERN-RRPNLBNLSA-N 1 0 535.666 2.767 1 0 in-vitro KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc([C@@H](O)c2ccccc2)c1)S(C)(=O)=O ZINC000014960384 561748341 /nfs/dbraw/zinc/74/83/41/561748341.db2.gz DGAUPCASMZWYCI-IARZGTGTSA-N 1 0 537.682 2.618 1 0 KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc([C@H](O)c2ccccc2)c1)S(C)(=O)=O ZINC000014960388 561748364 /nfs/dbraw/zinc/74/83/64/561748364.db2.gz DGAUPCASMZWYCI-UPRLRBBYSA-N 1 0 537.682 2.618 1 0 KFAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(C(=O)C2CCCC2)c1)S(C)(=O)=O ZINC000014960407 561748362 /nfs/dbraw/zinc/74/83/62/561748362.db2.gz XRYAXIWRIUYCFF-IZZNHLLZSA-N 1 0 527.687 2.909 1 0 KFAFRO C[C@@H](NC(=O)c1cc(C(=O)OC[C@@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960435 561748337 /nfs/dbraw/zinc/74/83/37/561748337.db2.gz JVYHUOIVVLDSHT-GDJIYFAZSA-N 1 0 557.644 2.802 1 0 in-vitro KFAFRO C[C@@H](NC(=O)c1cc(C(=O)OC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960439 561748352 /nfs/dbraw/zinc/74/83/52/561748352.db2.gz JVYHUOIVVLDSHT-WHLCRQNOSA-N 1 0 557.644 2.802 1 0 KFAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N(C)S(=O)(=O)N(C)C)c1)c1ccccc1 ZINC000014961391 561748484 /nfs/dbraw/zinc/74/84/84/561748484.db2.gz RTCBCUCWGQILHI-ZDERHKTGSA-N 1 0 607.777 2.874 1 0 KFAFRO COC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1 ZINC000014961879 561748550 /nfs/dbraw/zinc/74/85/50/561748550.db2.gz YPMRCKYXIASEOW-UQAQOTMJSA-N 1 0 531.723 2.663 1 0 KFAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])COC)cc(N(C)S(=O)(=O)C(C)C)n1 ZINC000014961887 561748596 /nfs/dbraw/zinc/74/85/96/561748596.db2.gz MFHZKDPQWMOWSP-QUKDMSEQSA-N 1 0 575.776 2.680 1 0 KFAFRO COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CC[NH+](CCO)CC3)c(=O)oc21 ZINC000014962088 561748723 /nfs/dbraw/zinc/74/87/23/561748723.db2.gz NRUQTVOQUILFMC-UHFFFAOYSA-N 1 0 502.365 2.931 1 0 KFAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCS(C)(=O)=O)c1)C(C)C ZINC000014967485 561750054 /nfs/dbraw/zinc/75/00/54/561750054.db2.gz ZYQLXDXIWZIRRO-GBAJDQEWSA-N 1 0 500.702 2.912 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC ZINC000014967564 561750069 /nfs/dbraw/zinc/75/00/69/561750069.db2.gz VAHBXXANYLMJGM-BDGPUAICSA-N 1 0 551.769 2.868 1 0 KFAFRO CNC(=O)CCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C ZINC000014967612 561750113 /nfs/dbraw/zinc/75/01/13/561750113.db2.gz KCVOMEXXXRKOOT-KAMZKSLDSA-N 1 0 523.715 2.672 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)NCCOC)C(C)C)ccc1OC ZINC000014967616 561750108 /nfs/dbraw/zinc/75/01/08/561750108.db2.gz BPHRVQBJSVSOCT-DNZIZEQUSA-N 1 0 567.768 2.689 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC ZINC000014967620 561750052 /nfs/dbraw/zinc/75/00/52/561750052.db2.gz IZYXMVKELAEHKP-KAMZKSLDSA-N 1 0 523.715 2.802 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC ZINC000014967623 561750097 /nfs/dbraw/zinc/75/00/97/561750097.db2.gz VUPWQHVVJYLHCF-BDGPUAICSA-N 1 0 579.779 2.785 1 0 KFAFRO CCS(=O)(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C ZINC000014967631 561750067 /nfs/dbraw/zinc/75/00/67/561750067.db2.gz NQHIRCGUAALQIA-KAMZKSLDSA-N 1 0 544.755 2.581 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCC(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967658 561750236 /nfs/dbraw/zinc/75/02/36/561750236.db2.gz ZMXQABNZQRBOJN-ZJZGAYNASA-N 1 0 523.715 2.657 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967666 561750252 /nfs/dbraw/zinc/75/02/52/561750252.db2.gz CPNBTQDCWWCVNK-DUSBTPNUSA-N 1 0 523.715 2.656 1 0 KFAFRO CNC(=O)CCNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000014967681 561750200 /nfs/dbraw/zinc/75/02/00/561750200.db2.gz JBROSEDLAAOXPE-QORCZRPOSA-N 1 0 537.742 2.918 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NC[C@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967685 561750197 /nfs/dbraw/zinc/75/01/97/561750197.db2.gz NDMWBTBSSUVBCZ-NPJMLQJUSA-N 1 0 537.742 2.903 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NC[C@@H](C)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967688 561750248 /nfs/dbraw/zinc/75/02/48/561750248.db2.gz NDMWBTBSSUVBCZ-JFOHGXHASA-N 1 0 537.742 2.903 1 0 KFAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[NH+](CCO)CCO)cc2)CC3)cc1 ZINC000014969483 561750709 /nfs/dbraw/zinc/75/07/09/561750709.db2.gz OOPKOOPFWNIDJI-UHFFFAOYSA-N 1 0 555.635 2.636 1 0 KFAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4C[NH+](C)C)CC2)CC3)cc1 ZINC000014969573 561750695 /nfs/dbraw/zinc/75/06/95/561750695.db2.gz QLIJAYGAJCPYAJ-UHFFFAOYSA-N 1 0 502.619 2.709 1 0 KFAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4C[N@@H+]4CCC[C@@H]4O)CC2)CC3)cc1 ZINC000014969585 561750836 /nfs/dbraw/zinc/75/08/36/561750836.db2.gz LJAOENIQJNXLHY-SANMLTNESA-N 1 0 544.656 2.561 1 0 KFAFRO CCOC(=O)CC[C@@H](NC(=O)c1ccc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc1)C(=O)OCC ZINC000017105137 561754152 /nfs/dbraw/zinc/75/41/52/561754152.db2.gz FIITZYADNJQCEM-HXUWFJFHSA-N 1 0 508.579 2.720 1 0 KFAFRO O=C(CC[N@H+]1CCC[C@@H](O)[C@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000017249773 561754497 /nfs/dbraw/zinc/75/44/97/561754497.db2.gz TUGQVTWXMDXVPK-KAYWLYCHSA-N 1 0 502.611 2.998 1 0 KFAFRO O=C(CC[N@H+]1CCC[C@H](O)[C@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1)NCc1ccccc1 ZINC000017249778 561754473 /nfs/dbraw/zinc/75/44/73/561754473.db2.gz TUGQVTWXMDXVPK-SXOMAYOGSA-N 1 0 502.611 2.998 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000017654517 561757606 /nfs/dbraw/zinc/75/76/06/561757606.db2.gz DEQITUUQPICUMR-KNRULBFKSA-N 1 0 611.743 2.717 1 0 KFAFRO Nc1nc(N2CC[N@@H+]3C[C@@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000018804846 561758306 /nfs/dbraw/zinc/75/83/06/561758306.db2.gz HNYJIMBAFFAEPW-RPWUZVMVSA-N 1 0 551.659 2.755 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCN(C)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022448686 561759276 /nfs/dbraw/zinc/75/92/76/561759276.db2.gz KUIRIIYJTWKTNF-QVNMXXJYSA-N 1 0 510.587 2.794 1 0 KFAFRO CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[NH+]1CCN(CCO)CC1)CCCC3)C(=O)N2 ZINC000022932333 561760280 /nfs/dbraw/zinc/76/02/80/561760280.db2.gz PUWQBZYOEYJCIO-CLCOLTQESA-N 1 0 526.703 2.722 1 0 KFAFRO Cn1c2ncn(CCC[NH+]3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000022933131 561760551 /nfs/dbraw/zinc/76/05/51/561760551.db2.gz ROUJHUJGLZGHKD-QHCPKHFHSA-N 1 0 507.038 2.884 1 0 KFAFRO Cn1c2ncn(CCC[NH+]3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000022933134 561760378 /nfs/dbraw/zinc/76/03/78/561760378.db2.gz ROUJHUJGLZGHKD-HSZRJFAPSA-N 1 0 507.038 2.884 1 0 KFAFRO Cn1c2ncn(CCC[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c(=O)n(C)c1=O ZINC000022933137 561760529 /nfs/dbraw/zinc/76/05/29/561760529.db2.gz VOEUXHROHLFPEE-UHFFFAOYSA-N 1 0 508.573 2.509 1 0 KFAFRO CCNC(=O)Nc1nc2nc(NCCCN3CC[NH+](C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1 ZINC000022933827 561760411 /nfs/dbraw/zinc/76/04/11/561760411.db2.gz FQQPROZCOUSSJP-UHFFFAOYSA-N 1 0 508.627 2.900 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[NH+]3CCN(C)CC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022940573 561761053 /nfs/dbraw/zinc/76/10/53/561761053.db2.gz KUIRIIYJTWKTNF-MQZIHTSUSA-N 1 0 510.587 2.794 1 0 KFAFRO CCC(CC)[N@@H+]1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@H](C(=O)NC(C)(C)C)C1 ZINC000023357716 561761642 /nfs/dbraw/zinc/76/16/42/561761642.db2.gz NHMIHQZMBYIQSR-MUPNWXRXSA-N 1 0 622.873 2.986 1 0 KFAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](CC(C)(C)C)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357722 561761663 /nfs/dbraw/zinc/76/16/63/561761663.db2.gz QLRILQAKWMNACH-UZSVIBPSSA-N 1 0 622.873 2.844 1 0 KFAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357731 561761570 /nfs/dbraw/zinc/76/15/70/561761570.db2.gz LETUUQQGDRSIEO-MUPNWXRXSA-N 1 0 620.857 2.740 1 0 KFAFRO COc1cccc(CN2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(N(C)C)c3)NC2=O)c1 ZINC000024978194 561762589 /nfs/dbraw/zinc/76/25/89/561762589.db2.gz MCBWJRZWLSXSBN-YTCPBCGMSA-N 1 0 545.684 2.533 1 0 in-vitro KFAFRO O=C(Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1)Nc1ccccn1 ZINC000025419147 561762697 /nfs/dbraw/zinc/76/26/97/561762697.db2.gz AXGGLNIULOYTOM-QHCPKHFHSA-N 1 0 555.657 2.861 1 0 KFAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000025419165 561762761 /nfs/dbraw/zinc/76/27/61/561762761.db2.gz HUEJHSLVYFVRMN-SANMLTNESA-N 1 0 611.787 2.942 1 0 KFAFRO Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(C)(=O)=O)C(c2ccccc2)c2ccccc2)ccc1C[NH3+] ZINC000025971695 561763264 /nfs/dbraw/zinc/76/32/64/561763264.db2.gz DQUOVYSIYIOGBC-XTEPFMGCSA-N 1 0 548.709 2.811 1 0 KFAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH3+])s1)C(c1ccccc1)c1ccccc1 ZINC000025971792 561763245 /nfs/dbraw/zinc/76/32/45/561763245.db2.gz DQLWOCINKAJARJ-UKILVPOCSA-N 1 0 540.711 2.564 1 0 KFAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH3+])cc1)C(c1ccccc1)c1ccccc1 ZINC000025976407 561763464 /nfs/dbraw/zinc/76/34/64/561763464.db2.gz GHKBRWJTEPFKOK-AHKZPQOWSA-N 1 0 534.682 2.502 1 0 KFAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C[NH3+])cs1)C(c1ccccc1)c1ccccc1 ZINC000025976812 561763466 /nfs/dbraw/zinc/76/34/66/561763466.db2.gz QCMOXWKNGSNGLJ-UKILVPOCSA-N 1 0 540.711 2.564 1 0 KFAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C[NH3+])c1)C(c1ccccc1)c1ccccc1 ZINC000025980540 561763802 /nfs/dbraw/zinc/76/38/02/561763802.db2.gz JHORELGKNODOKT-UKILVPOCSA-N 1 0 540.711 2.564 1 0 KFAFRO CS(=O)(=O)Nc1ccc(OP(=O)(Oc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025997445 561765202 /nfs/dbraw/zinc/76/52/02/561765202.db2.gz ADFIHXLUBQESQH-FCHUYYIVSA-N 1 0 586.629 2.781 1 0 KFAFRO CS(=O)(=O)Nc1ccc(OP(=O)(Oc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025997452 561765221 /nfs/dbraw/zinc/76/52/21/561765221.db2.gz ADFIHXLUBQESQH-VXKWHMMOSA-N 1 0 586.629 2.781 1 0 KFAFRO CS(=O)(=O)Nc1ccc(OP(=O)(Oc2ccc(NS(C)(=O)=O)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025997459 561765173 /nfs/dbraw/zinc/76/51/73/561765173.db2.gz ADFIHXLUBQESQH-FGZHOGPDSA-N 1 0 586.629 2.781 1 0 KFAFRO CS(=O)(=O)Nc1ccc(OP(=O)(Oc2ccc(NS(C)(=O)=O)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025997467 561765219 /nfs/dbraw/zinc/76/52/19/561765219.db2.gz ADFIHXLUBQESQH-YADHBBJMSA-N 1 0 586.629 2.781 1 0 KFAFRO COC(=O)CCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC(=O)OC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025999303 561765293 /nfs/dbraw/zinc/76/52/93/561765293.db2.gz CYUSDXXTKNDLKV-IZZNHLLZSA-N 1 0 658.645 2.624 1 0 KFAFRO COC(=O)CCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC(=O)OC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000025999310 561765258 /nfs/dbraw/zinc/76/52/58/561765258.db2.gz CYUSDXXTKNDLKV-UIOOFZCWSA-N 1 0 658.645 2.624 1 0 KFAFRO COC(=O)CCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC(=O)OC)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025999315 561765277 /nfs/dbraw/zinc/76/52/77/561765277.db2.gz CYUSDXXTKNDLKV-CLJLJLNGSA-N 1 0 658.645 2.624 1 0 KFAFRO COC(=O)CCNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCCC(=O)OC)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000025999322 561765256 /nfs/dbraw/zinc/76/52/56/561765256.db2.gz CYUSDXXTKNDLKV-FTJBHMTQSA-N 1 0 658.645 2.624 1 0 KFAFRO CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCC(=O)OCC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000026001640 561765405 /nfs/dbraw/zinc/76/54/05/561765405.db2.gz JFLWTONGCRBODS-IZZNHLLZSA-N 1 0 658.645 2.624 1 0 KFAFRO CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCC(=O)OCC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000026001647 561765401 /nfs/dbraw/zinc/76/54/01/561765401.db2.gz JFLWTONGCRBODS-UIOOFZCWSA-N 1 0 658.645 2.624 1 0 KFAFRO CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCC(=O)OCC)cc2)[C@@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000026001653 561765422 /nfs/dbraw/zinc/76/54/22/561765422.db2.gz JFLWTONGCRBODS-CLJLJLNGSA-N 1 0 658.645 2.624 1 0 KFAFRO CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(C(=O)NCC(=O)OCC)cc2)[C@H]2CCCN2C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000026001657 561765412 /nfs/dbraw/zinc/76/54/12/561765412.db2.gz JFLWTONGCRBODS-FTJBHMTQSA-N 1 0 658.645 2.624 1 0 KFAFRO Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 ZINC000026163175 561768866 /nfs/dbraw/zinc/76/88/66/561768866.db2.gz CJYLMYWVSLAUFF-IBGZPJMESA-N 1 0 568.437 2.641 1 0 KFAFRO CCCCOC(=O)N[C@@H](CCC(=O)N1CCC2(CCN(c3ccc(C(=[NH2+])NO)cc3)C2=O)CC1)C(=O)OCC ZINC000026174919 561770780 /nfs/dbraw/zinc/77/07/80/561770780.db2.gz VFDOLEOKGYBMGA-NRFANRHFSA-N 1 0 545.637 2.574 1 0 KFAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)N2CCC2)cc1 ZINC000026176194 561770837 /nfs/dbraw/zinc/77/08/37/561770837.db2.gz HSCCEKXZYGZWOB-QHCPKHFHSA-N 1 0 583.114 2.651 1 0 KFAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)N2CCC2)cc1 ZINC000026176201 561770825 /nfs/dbraw/zinc/77/08/25/561770825.db2.gz HSCCEKXZYGZWOB-HSZRJFAPSA-N 1 0 583.114 2.651 1 0 KFAFRO COC(=O)C[C@@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026178930 561771328 /nfs/dbraw/zinc/77/13/28/561771328.db2.gz BKYZARFJJFORLR-OAQYLSRUSA-N 1 0 558.060 2.592 1 0 KFAFRO COC(=O)C[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026178936 561771330 /nfs/dbraw/zinc/77/13/30/561771330.db2.gz BKYZARFJJFORLR-NRFANRHFSA-N 1 0 558.060 2.592 1 0 KFAFRO CN(C)C(=O)C[C@@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026179618 561771353 /nfs/dbraw/zinc/77/13/53/561771353.db2.gz FMVPCAMMFIDRDJ-JOCHJYFZSA-N 1 0 571.103 2.507 1 0 KFAFRO CN(C)C(=O)C[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026179625 561771392 /nfs/dbraw/zinc/77/13/92/561771392.db2.gz FMVPCAMMFIDRDJ-QFIPXVFZSA-N 1 0 571.103 2.507 1 0 KFAFRO Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 ZINC000026183409 561772182 /nfs/dbraw/zinc/77/21/82/561772182.db2.gz MMTSAMHMDBSVAB-IBGZPJMESA-N 1 0 521.437 2.799 1 0 KFAFRO C[NH+](C)CCn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026187213 561772829 /nfs/dbraw/zinc/77/28/29/561772829.db2.gz ILSJUWBVGJBUPQ-KRCBVYEFSA-N 1 0 726.949 2.730 1 0 KFAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC[NH3+] ZINC000026248165 561773602 /nfs/dbraw/zinc/77/36/02/561773602.db2.gz PTCWENKLPOSESI-QKDODKLFSA-N 1 0 552.716 2.664 1 0 KFAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026249267 561773785 /nfs/dbraw/zinc/77/37/85/561773785.db2.gz CVYYPYNUBRBMSQ-UHFFFAOYSA-N 1 0 562.715 2.674 1 0 KFAFRO CC(C)c1sc(NC(=O)c2cc(NC=O)cn2C)nc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000026256911 561774981 /nfs/dbraw/zinc/77/49/81/561774981.db2.gz DVRGOALYAOENCA-UHFFFAOYSA-N 1 0 542.666 2.698 1 0 KFAFRO CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026258789 561775263 /nfs/dbraw/zinc/77/52/63/561775263.db2.gz ZPVBGKKXBCEDIO-LJWNLINESA-N 1 0 638.872 2.985 1 0 KFAFRO CC(C)(CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1)[NH2+]C[C@H](O)CO ZINC000026259854 561775485 /nfs/dbraw/zinc/77/54/85/561775485.db2.gz FAKNJHZFHMANQT-RBJSKKJNSA-N 1 0 546.712 2.813 1 0 KFAFRO CC(C)CCn1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN2CC[NH+](C)CC2)n(C)c1 ZINC000026260102 561775421 /nfs/dbraw/zinc/77/54/21/561775421.db2.gz ASBBKGUFINYBJC-UHFFFAOYSA-N 1 0 607.760 2.651 1 0 KFAFRO COc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000026263874 561775961 /nfs/dbraw/zinc/77/59/61/561775961.db2.gz NGFBDVGREGUAQU-UHFFFAOYSA-N 1 0 541.052 2.673 1 0 KFAFRO CC(C)CCn1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000026267070 561776498 /nfs/dbraw/zinc/77/64/98/561776498.db2.gz VCFTVROLBOMBFJ-UHFFFAOYSA-N 1 0 552.680 2.966 1 0 KFAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(CC(=O)c4ccccc43)CC2)C1=O ZINC000026270439 561777133 /nfs/dbraw/zinc/77/71/33/561777133.db2.gz IAHIONUYCNVLIZ-DHIUTWEWSA-N 1 0 536.677 2.656 1 0 KFAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)c(C)s2)n(C)c1 ZINC000026273367 561777645 /nfs/dbraw/zinc/77/76/45/561777645.db2.gz CJNGKPVSXJKJNU-UHFFFAOYSA-N 1 0 527.651 2.878 1 0 KFAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026274277 561777863 /nfs/dbraw/zinc/77/78/63/561777863.db2.gz XFUCVUCDMVVMFB-CLJLJLNGSA-N 1 0 555.683 2.769 1 0 KFAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@@H](CCc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026274285 561777928 /nfs/dbraw/zinc/77/79/28/561777928.db2.gz RTYOPXGRXRGYCZ-RPBOFIJWSA-N 1 0 530.673 2.678 1 0 KFAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](CCc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026274291 561777920 /nfs/dbraw/zinc/77/79/20/561777920.db2.gz RTYOPXGRXRGYCZ-JWQCQUIFSA-N 1 0 530.673 2.678 1 0 KFAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C(C)C)c2)n(C)c1 ZINC000026274986 561778008 /nfs/dbraw/zinc/77/80/08/561778008.db2.gz AWKKNVWARIWPIJ-UHFFFAOYSA-N 1 0 538.653 2.891 1 0 KFAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)c(C)s1 ZINC000026276910 561778535 /nfs/dbraw/zinc/77/85/35/561778535.db2.gz NJKJGUVMXONKIY-UHFFFAOYSA-N 1 0 527.651 2.878 1 0 KFAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3cccc4[nH]c(=O)[nH]c43)CC2)cc1 ZINC000026278065 561778595 /nfs/dbraw/zinc/77/85/95/561778595.db2.gz GOLDZJWTXOZURY-QFIPXVFZSA-N 1 0 588.731 2.741 1 0 KFAFRO O=c1[nH]c2cccc(OC[C@@H](O)C[NH2+]C3CCN(S(=O)(=O)c4ccc5oc6ccccc6c5c4)CC3)c2[nH]1 ZINC000026279541 561778765 /nfs/dbraw/zinc/77/87/65/561778765.db2.gz ZIYSERSXJPYOHH-SFHVURJKSA-N 1 0 536.610 2.938 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026287412 561779922 /nfs/dbraw/zinc/77/99/22/561779922.db2.gz OWYWHGKNWSVKDF-RTNMLALUSA-N 1 0 687.838 2.833 1 0 KFAFRO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)c4cc(NC(=O)CCC[NH+](C)C)cn4COC)cc2cc1C3 ZINC000026376005 561781887 /nfs/dbraw/zinc/78/18/87/561781887.db2.gz ZSMCYFPCVZXTLY-DHUJRADRSA-N 1 0 672.739 2.574 1 0 KFAFRO CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCNC(=O)c4cc(NC(=O)CCC[NH+](C)C)cn4COC)cc2cc1C3 ZINC000026376007 561781860 /nfs/dbraw/zinc/78/18/60/561781860.db2.gz ZSMCYFPCVZXTLY-PGUFJCEWSA-N 1 0 672.739 2.574 1 0 KFAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]C[C@H](O)CO ZINC000026377011 561782353 /nfs/dbraw/zinc/78/23/53/561782353.db2.gz PDAGBYVGKXFZSZ-RPLLCQBOSA-N 1 0 583.693 2.609 1 0 KFAFRO CC(=O)NC(=O)CC[C@H]([NH3+])C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026377814 561782618 /nfs/dbraw/zinc/78/26/18/561782618.db2.gz GLPXLMMGGVFLPK-HEAIWMBWSA-N 1 0 709.848 2.709 1 0 KFAFRO CC(=O)NC(=O)CC[C@H]([NH3+])C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026377816 561782542 /nfs/dbraw/zinc/78/25/42/561782542.db2.gz GLPXLMMGGVFLPK-FZCBKRAZSA-N 1 0 709.848 2.709 1 0 KFAFRO CC(=O)NC(=O)CC[C@@H]([NH3+])C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026377818 561782551 /nfs/dbraw/zinc/78/25/51/561782551.db2.gz GLPXLMMGGVFLPK-SNTUXTEOSA-N 1 0 709.848 2.709 1 0 KFAFRO CC(=O)NC(=O)CC[C@@H]([NH3+])C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026377820 561782547 /nfs/dbraw/zinc/78/25/47/561782547.db2.gz GLPXLMMGGVFLPK-PNIVXLCQSA-N 1 0 709.848 2.709 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000026380038 561783208 /nfs/dbraw/zinc/78/32/08/561783208.db2.gz GGTRMJYEQCFTPO-XFTNXAEASA-N 1 0 566.743 2.617 1 0 KFAFRO CN(C)c1nc(N)c(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)[C@H]2CCOC2)nc1Cl ZINC000026389544 561785405 /nfs/dbraw/zinc/78/54/05/561785405.db2.gz NPEMYFWDGCYISM-DFTYQABXSA-N 1 0 727.351 2.797 1 0 KFAFRO C[C@H](O)[C@@H]([NH3+])C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026392061 561786066 /nfs/dbraw/zinc/78/60/66/561786066.db2.gz WUPPDYKKAPOUJA-NSRVOULTSA-N 1 0 640.785 2.647 1 0 KFAFRO C[C@H](O)[C@H]([NH3+])C(=O)NCCCC[C@@H](NC(=O)c1c[nH]c2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1 ZINC000026392070 561786019 /nfs/dbraw/zinc/78/60/19/561786019.db2.gz WUPPDYKKAPOUJA-FTVIZOJLSA-N 1 0 640.785 2.647 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026397487 561787387 /nfs/dbraw/zinc/78/73/87/561787387.db2.gz UTHIXVNTGHQWPR-YTCPBCGMSA-N 1 0 689.864 2.532 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026398252 561787673 /nfs/dbraw/zinc/78/76/73/561787673.db2.gz JVSRYBVSQFIXMI-YTCPBCGMSA-N 1 0 707.854 2.671 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026400737 561788224 /nfs/dbraw/zinc/78/82/24/561788224.db2.gz DDUBVTHFQJYKCN-YTCPBCGMSA-N 1 0 707.854 2.671 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026404096 561789342 /nfs/dbraw/zinc/78/93/42/561789342.db2.gz OKJSDNLDCTVRPM-YTCPBCGMSA-N 1 0 725.844 2.810 1 0 KFAFRO CCOC(=O)CC1(O)CC[NH+](C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026483295 561792025 /nfs/dbraw/zinc/79/20/25/561792025.db2.gz MJDGYLOTVVZGMJ-JOCHJYFZSA-N 1 0 508.575 2.547 1 0 KFAFRO CCOC(=O)CC1(O)CC[NH+](C[C@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026483305 561792182 /nfs/dbraw/zinc/79/21/82/561792182.db2.gz MJDGYLOTVVZGMJ-QFIPXVFZSA-N 1 0 508.575 2.547 1 0 KFAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)[NH3+])C1 ZINC000026492160 561793571 /nfs/dbraw/zinc/79/35/71/561793571.db2.gz MSJQBLZPRLVWGV-ROQFYEMFSA-N 1 0 504.631 2.957 1 0 KFAFRO COC(=O)c1ccc2c(c1)oc(=O)n2C1CC[NH+](CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000026492660 561793663 /nfs/dbraw/zinc/79/36/63/561793663.db2.gz JWKSOUFQGFGEKE-UHFFFAOYSA-N 1 0 513.572 2.643 1 0 KFAFRO CCCCc1ccc(CC[C@H]([NH2+][C@H](C)C(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)cc1 ZINC000026499325 561795050 /nfs/dbraw/zinc/79/50/50/561795050.db2.gz FIJLFZRLPPVBHV-YNJKOYDBSA-N 1 0 538.693 2.780 1 0 KFAFRO CN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)c(F)c1)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000026500926 561795478 /nfs/dbraw/zinc/79/54/78/561795478.db2.gz WOZDSOAXIWXJKP-DEOSSOPVSA-N 1 0 515.655 2.784 1 0 KFAFRO CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=[NH2+])NN)cc2F)C(=O)N(C)C2CCCC2)cc1 ZINC000026501140 561795610 /nfs/dbraw/zinc/79/56/10/561795610.db2.gz GDPVUDUCCFYPLP-QHCPKHFHSA-N 1 0 503.644 2.857 1 0 in-vivo KFAFRO CN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1F)NS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000026501463 561795611 /nfs/dbraw/zinc/79/56/11/561795611.db2.gz YXDSUUZDJGTOTC-DEOSSOPVSA-N 1 0 515.655 2.784 1 0 in-vivo KFAFRO COc1ccc(C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N2CC(=O)N[C@@H](C[C@@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)cc1 ZINC000026502412 561795793 /nfs/dbraw/zinc/79/57/93/561795793.db2.gz PWPUXJXGOLTDRT-ZXRKZBAXSA-N 1 0 673.840 2.730 1 0 KFAFRO COc1ccc(C[C@H]2C(=O)N(CCCc3ccccc3)CC(=O)N2CC(=O)N[C@@H](C[C@H]2CCCN(C(N)=[NH2+])C2)C(=O)c2nccs2)cc1 ZINC000026502417 561795791 /nfs/dbraw/zinc/79/57/91/561795791.db2.gz PWPUXJXGOLTDRT-FGUUHEIUSA-N 1 0 673.840 2.730 1 0 KFAFRO CC(C)C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026502967 561795928 /nfs/dbraw/zinc/79/59/28/561795928.db2.gz GIJVGRKHXXKHAE-SDHOMARFSA-N 1 0 609.797 2.524 1 0 KFAFRO CC(C)C[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026502972 561795918 /nfs/dbraw/zinc/79/59/18/561795918.db2.gz GIJVGRKHXXKHAE-DSITVLBTSA-N 1 0 609.797 2.524 1 0 KFAFRO CCCC[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026502975 561796028 /nfs/dbraw/zinc/79/60/28/561796028.db2.gz ZBPGKEZKJGALEX-SDHOMARFSA-N 1 0 609.797 2.669 1 0 KFAFRO CCCC[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026502979 561796012 /nfs/dbraw/zinc/79/60/12/561796012.db2.gz ZBPGKEZKJGALEX-DSITVLBTSA-N 1 0 609.797 2.669 1 0 KFAFRO CCCc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=[NH2+])NN)c(F)c2)C(=O)N(C)C2CCCC2)cc1 ZINC000026504013 561796195 /nfs/dbraw/zinc/79/61/95/561796195.db2.gz JVMDOGKNHONBDA-QHCPKHFHSA-N 1 0 503.644 2.857 1 0 KFAFRO COc1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026504281 561796216 /nfs/dbraw/zinc/79/62/16/561796216.db2.gz HHIIMRNIOQCDJV-PIZZNKLWSA-N 1 0 673.840 2.730 1 0 KFAFRO COc1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026504286 561796217 /nfs/dbraw/zinc/79/62/17/561796217.db2.gz HHIIMRNIOQCDJV-XNFLFYSQSA-N 1 0 673.840 2.730 1 0 KFAFRO COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(=[NH2+])NN)cc3)C(=O)N(C)C3CCCC3)ccc2c1 ZINC000026505344 561796419 /nfs/dbraw/zinc/79/64/19/561796419.db2.gz JXVCUFZHOLMKJA-VWLOTQADSA-N 1 0 523.659 2.928 1 0 in-vivo KFAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026505366 561796420 /nfs/dbraw/zinc/79/64/20/561796420.db2.gz VLENRKZVWUVYFG-KCHLEUMXSA-N 1 0 643.814 2.721 1 0 KFAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026566739 561797284 /nfs/dbraw/zinc/79/72/84/561797284.db2.gz VLENRKZVWUVYFG-HZFUHODCSA-N 1 0 643.814 2.721 1 0 KFAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)[C@H](Cc2ccccc2)NC(=O)CN[C@@H](CC(C)C)C1=O ZINC000026570309 561798013 /nfs/dbraw/zinc/79/80/13/561798013.db2.gz NOBOVSPVCBRGHF-CUPIEXAXSA-N 1 0 701.913 2.956 1 0 KFAFRO CC[C@@H](C)[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026573312 561798546 /nfs/dbraw/zinc/79/85/46/561798546.db2.gz CYTMVCMTUQPYOF-QULFXQSZSA-N 1 0 609.797 2.524 1 0 KFAFRO CC[C@H](C)[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000026573316 561798512 /nfs/dbraw/zinc/79/85/12/561798512.db2.gz CYTMVCMTUQPYOF-YQNORIIPSA-N 1 0 609.797 2.524 1 0 KFAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CN[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574143 561798691 /nfs/dbraw/zinc/79/86/91/561798691.db2.gz IQMXQXVUFJMTMV-WNQXLSPZSA-N 1 0 701.913 2.956 1 0 KFAFRO CC(C)[C@@H]1NC(=O)CCCCOc2ccc(cc2)C[C@H]([C@H](O)C[N@@H+]2CCCC[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026574279 561798760 /nfs/dbraw/zinc/79/87/60/561798760.db2.gz UKHWRIRAODZHTP-RAKSCHNQSA-N 1 0 544.737 2.548 1 0 KFAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026575750 561799372 /nfs/dbraw/zinc/79/93/72/561799372.db2.gz AQBFCDUTQDCCDR-DTXPUJKBSA-N 1 0 630.790 2.732 1 0 KFAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CSCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026575882 561799498 /nfs/dbraw/zinc/79/94/98/561799498.db2.gz JJZPBXKXAGDZBJ-DTXPUJKBSA-N 1 0 662.857 2.685 1 0 KFAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCC[NH3+])c4Cl)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000026576014 561799898 /nfs/dbraw/zinc/79/98/98/561799898.db2.gz UWOMVFBOGNCHGQ-UHFFFAOYSA-N 1 0 728.280 2.782 1 0 KFAFRO CC[C@H](C)[C@@H]1NCC(=O)N([C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C(=O)[C@H](Cc2ccccc2)NC1=O ZINC000026576634 561800454 /nfs/dbraw/zinc/80/04/54/561800454.db2.gz YAFHEIOTXIJSSM-KPWATQDOSA-N 1 0 701.913 2.956 1 0 KFAFRO COc1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000026579487 561804902 /nfs/dbraw/zinc/80/49/02/561804902.db2.gz ZMFWTVIEIZWGCE-UHFFFAOYSA-N 1 0 514.604 2.523 1 0 KFAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3Cc4ccccc4C3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026643690 561807080 /nfs/dbraw/zinc/80/70/80/561807080.db2.gz OZFWFWGNTOMSOK-WWPLQOFTSA-N 1 0 668.901 2.965 1 0 KFAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCSCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026649249 561808083 /nfs/dbraw/zinc/80/80/83/561808083.db2.gz MKHHRMQNGQGAQQ-MUPNWXRXSA-N 1 0 652.924 2.693 1 0 KFAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026654710 561809155 /nfs/dbraw/zinc/80/91/55/561809155.db2.gz CMRZVMQGDIWUGI-HHHXNRCGSA-N 1 0 549.609 2.658 1 0 KFAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2C)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026654715 561809122 /nfs/dbraw/zinc/80/91/22/561809122.db2.gz CMRZVMQGDIWUGI-MHZLTWQESA-N 1 0 549.609 2.658 1 0 KFAFRO CCSC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658671 561809891 /nfs/dbraw/zinc/80/98/91/561809891.db2.gz QGKSOYNSHUQKSD-RUZDIDTESA-N 1 0 538.655 2.935 1 0 KFAFRO CCSC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658677 561809902 /nfs/dbraw/zinc/80/99/02/561809902.db2.gz QGKSOYNSHUQKSD-VWLOTQADSA-N 1 0 538.655 2.935 1 0 KFAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCOCCOc2ccc(Cl)cc2CN1 ZINC000026665316 561810965 /nfs/dbraw/zinc/81/09/65/561810965.db2.gz SFGQHQOPLLWNCX-NRFANRHFSA-N 1 0 546.455 2.888 1 0 KFAFRO C[NH+](C)CCNC(=O)CSC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026669961 561812040 /nfs/dbraw/zinc/81/20/40/561812040.db2.gz IXXYABZMVOOTJB-ORYMTKCHSA-N 1 0 715.962 2.800 1 0 KFAFRO CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@]2(Cn3cnnn3)CC(c3cccc(C(N)=[NH2+])c3)=NO2)cc1 ZINC000026670545 561812261 /nfs/dbraw/zinc/81/22/61/561812261.db2.gz HTDWCKNOXARIND-NDEPHWFRSA-N 1 0 587.666 2.515 1 0 KFAFRO CCCNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@]2(Cn3cnnn3)CC(c3cccc(C(N)=[NH2+])c3)=NO2)cc1 ZINC000026670550 561812280 /nfs/dbraw/zinc/81/22/80/561812280.db2.gz HTDWCKNOXARIND-MUUNZHRXSA-N 1 0 587.666 2.515 1 0 KFAFRO [NH3+]C1CCN(C(=O)O[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CCc2ccccn2)CC1 ZINC000026672370 561812748 /nfs/dbraw/zinc/81/27/48/561812748.db2.gz BIQGFPZYIFLDHW-PRTBYXSSSA-N 1 0 703.885 2.813 1 0 KFAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCC[NH3+] ZINC000026720866 561815208 /nfs/dbraw/zinc/81/52/08/561815208.db2.gz AGUKARWMWVIAHL-WKAQUBQDSA-N 1 0 554.732 2.948 1 0 KFAFRO CC[NH+]1CCN(Cc2cc(=O)oc3c(C)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)ccc23)CC1 ZINC000026724018 561815730 /nfs/dbraw/zinc/81/57/30/561815730.db2.gz APYGFPHMFUEFLZ-XMABBMNZSA-N 1 0 583.682 2.991 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(C[NH+]4CCC(O)CC4)cc(=O)oc3c2C)OC1(C)C ZINC000026725789 561815908 /nfs/dbraw/zinc/81/59/08/561815908.db2.gz KHHHPHJUSOKVQY-SQCBCDKRSA-N 1 0 570.639 2.810 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[N@@H+]4CCC[C@H]4CO)cc(=O)oc3c2C)OC1(C)C ZINC000026726494 561815895 /nfs/dbraw/zinc/81/58/95/561815895.db2.gz LWRVVCUQYYMSMC-INLKFKTFSA-N 1 0 600.665 2.689 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH+](C)CC4)cc(=O)oc3c2C)OC1(C)C ZINC000026727504 561816166 /nfs/dbraw/zinc/81/61/66/561816166.db2.gz KFRANAMHXDFJBH-SQCBCDKRSA-N 1 0 569.655 2.601 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@@](=O)c1ccc(F)cc1)NS(C)(=O)=O ZINC000026733356 561816934 /nfs/dbraw/zinc/81/69/34/561816934.db2.gz WXOMYWCKSSDBHF-DDKUALPHSA-N 1 0 692.920 2.735 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@](=O)c1ccc(F)cc1)NS(C)(=O)=O ZINC000026733360 561816926 /nfs/dbraw/zinc/81/69/26/561816926.db2.gz WXOMYWCKSSDBHF-XURRRYTMSA-N 1 0 692.920 2.735 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(C[N@@H+]4CCC[C@H]4CO)cc(=O)oc3c2C)OC1(C)C ZINC000026736113 561817472 /nfs/dbraw/zinc/81/74/72/561817472.db2.gz MJJRKLYREQYZTQ-WNHYGPKISA-N 1 0 570.639 2.810 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[NH+](C)C)cc(=O)oc3c2C)OC1(C)C ZINC000026741368 561818102 /nfs/dbraw/zinc/81/81/02/561818102.db2.gz AZSKVUZWLXPCBV-POHJQOBCSA-N 1 0 544.601 2.794 1 0 KFAFRO CS(=O)(=O)Nc1ccc(CC[NH+](CCOc2ccc(NS(C)(=O)=O)cc2)CCOc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000026746271 561818917 /nfs/dbraw/zinc/81/89/17/561818917.db2.gz NUFYSEABCDWQIZ-UHFFFAOYSA-N 1 0 640.806 2.804 1 0 KFAFRO CS(=O)(=O)Nc1cc(OC[C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O ZINC000026751525 561819862 /nfs/dbraw/zinc/81/98/62/561819862.db2.gz BHZXRWNFNZHPOG-DEOSSOPVSA-N 1 0 697.783 2.794 1 0 KFAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3cccc4[nH]c(=O)[nH]c43)CC2)cc1 ZINC000026751841 561819852 /nfs/dbraw/zinc/81/98/52/561819852.db2.gz NALNFOIDKUZXNN-QHCPKHFHSA-N 1 0 602.758 2.988 1 0 KFAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000026821253 561821138 /nfs/dbraw/zinc/82/11/38/561821138.db2.gz DGKWXMZKLUGQTR-URXFXBBRSA-N 1 0 504.630 2.774 1 0 KFAFRO CS(=O)(=O)Nc1cc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000026821259 561821073 /nfs/dbraw/zinc/82/10/73/561821073.db2.gz DGKWXMZKLUGQTR-XUZZJYLKSA-N 1 0 504.630 2.774 1 0 KFAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000026821264 561821173 /nfs/dbraw/zinc/82/11/73/561821173.db2.gz DGKWXMZKLUGQTR-QPPBQGQZSA-N 1 0 504.630 2.774 1 0 KFAFRO CS(=O)(=O)Nc1cc([C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000026821269 561821188 /nfs/dbraw/zinc/82/11/88/561821188.db2.gz DGKWXMZKLUGQTR-ZJSXRUAMSA-N 1 0 504.630 2.774 1 0 KFAFRO CN(C)C(=O)c1ccc(C([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000026829330 561822644 /nfs/dbraw/zinc/82/26/44/561822644.db2.gz SEIUANXXMNNNHA-VWLOTQADSA-N 1 0 554.669 2.580 1 0 KFAFRO NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc56)C(=O)NC4=O)cn(c32)C1 ZINC000026831585 561823135 /nfs/dbraw/zinc/82/31/35/561823135.db2.gz HXIWWFYRPWZBMF-WNSKOXEYSA-N 1 0 511.557 2.951 1 0 KFAFRO NC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc56)C(=O)NC4=O)cn(c32)C1 ZINC000026831589 561823083 /nfs/dbraw/zinc/82/30/83/561823083.db2.gz HXIWWFYRPWZBMF-CMJOXMDJSA-N 1 0 511.557 2.951 1 0 KFAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000026832872 561823407 /nfs/dbraw/zinc/82/34/07/561823407.db2.gz JXGIWIPAGBAQOZ-MUUNZHRXSA-N 1 0 605.742 2.547 1 0 KFAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000026832876 561823474 /nfs/dbraw/zinc/82/34/74/561823474.db2.gz JXGIWIPAGBAQOZ-NDEPHWFRSA-N 1 0 605.742 2.547 1 0 KFAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000026838502 561825018 /nfs/dbraw/zinc/82/50/18/561825018.db2.gz NSIJMHQWAMLPSA-MUUNZHRXSA-N 1 0 569.687 2.998 1 0 KFAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000026838506 561825069 /nfs/dbraw/zinc/82/50/69/561825069.db2.gz NSIJMHQWAMLPSA-NDEPHWFRSA-N 1 0 569.687 2.998 1 0 KFAFRO Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)[NH3+])C(=O)N(C)[C@@H](Cc1c(C)[nH]c2ccccc21)C(N)=O ZINC000026839411 561825263 /nfs/dbraw/zinc/82/52/63/561825263.db2.gz JSBLASUKADEFCD-RPBOFIJWSA-N 1 0 516.646 2.586 1 0 KFAFRO Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)[NH3+])C(=O)N(C)[C@H](Cc1c(C)[nH]c2ccccc21)C(N)=O ZINC000026839416 561825293 /nfs/dbraw/zinc/82/52/93/561825293.db2.gz JSBLASUKADEFCD-JWQCQUIFSA-N 1 0 516.646 2.586 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](Cc3cccc(C(N)=[NH2+])c3)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000026839977 561825563 /nfs/dbraw/zinc/82/55/63/561825563.db2.gz PRAXHJCSNHARKS-GDLZYMKVSA-N 1 0 619.769 2.855 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](Cc3cccc(C(N)=[NH2+])c3)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000026839981 561825531 /nfs/dbraw/zinc/82/55/31/561825531.db2.gz PRAXHJCSNHARKS-LJAQVGFWSA-N 1 0 619.769 2.855 1 0 KFAFRO CCN(CC)C(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026840210 561825565 /nfs/dbraw/zinc/82/55/65/561825565.db2.gz WYBWZWVZMRRJKT-AREMUKBSSA-N 1 0 564.712 2.619 1 0 KFAFRO CCN(CC)C(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026840214 561825528 /nfs/dbraw/zinc/82/55/28/561825528.db2.gz WYBWZWVZMRRJKT-SANMLTNESA-N 1 0 564.712 2.619 1 0 KFAFRO CC(C)OC(=O)CN(c1cccc(C(N)=[NH2+])c1)S(=O)(=O)CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000026842395 561826010 /nfs/dbraw/zinc/82/60/10/561826010.db2.gz JBYXSVSUVQZKEO-UHFFFAOYSA-N 1 0 558.682 2.616 1 0 KFAFRO COc1cc(/C=C/C(=O)NC2CCC(NC(=O)[C@@H](O)[C@H]([NH3+])CC3CCCCC3)CC2)cc(OC)c1OC ZINC000026850389 561827156 /nfs/dbraw/zinc/82/71/56/561827156.db2.gz ZBJMJBCUJOLNSJ-JFSMKIMMSA-N 1 0 517.667 2.928 1 0 KFAFRO COc1cc(/C=C/C(=O)NC2CCC(NC(=O)[C@@H](O)[C@H]([NH3+])CCc3ccccc3)CC2)cc(OC)c1OC ZINC000026937414 561827633 /nfs/dbraw/zinc/82/76/33/561827633.db2.gz YFIDWYHXSQKIDQ-YDMHUYAISA-N 1 0 525.646 2.590 1 0 KFAFRO CCCC[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026945490 561828416 /nfs/dbraw/zinc/82/84/16/561828416.db2.gz WVBTWTCWRUYQIR-MUUNZHRXSA-N 1 0 505.571 2.783 1 0 KFAFRO CCCC[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026945498 561828440 /nfs/dbraw/zinc/82/84/40/561828440.db2.gz WVBTWTCWRUYQIR-NDEPHWFRSA-N 1 0 505.571 2.783 1 0 KFAFRO CC[C@@H](C)[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026945507 561828429 /nfs/dbraw/zinc/82/84/29/561828429.db2.gz YXZZSYDSRRFGGT-WQIZZMQYSA-N 1 0 505.571 2.781 1 0 KFAFRO CC[C@H](C)[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026945517 561828470 /nfs/dbraw/zinc/82/84/70/561828470.db2.gz YXZZSYDSRRFGGT-OHZJNBGDSA-N 1 0 505.571 2.781 1 0 KFAFRO CC[C@@H](C)[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026945525 561828405 /nfs/dbraw/zinc/82/84/05/561828405.db2.gz YXZZSYDSRRFGGT-JMGYQRAPSA-N 1 0 505.571 2.781 1 0 KFAFRO CC[C@H](C)[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026945535 561828435 /nfs/dbraw/zinc/82/84/35/561828435.db2.gz YXZZSYDSRRFGGT-HBIPHATFSA-N 1 0 505.571 2.781 1 0 KFAFRO CC[NH+](CC)CCC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O ZINC000026953043 561828991 /nfs/dbraw/zinc/82/89/91/561828991.db2.gz PXCAGBIMABECBU-OGXCQPTNSA-N 1 0 710.876 2.691 1 0 KFAFRO CC[NH+](CC)CCC(=O)N[C@@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@@H](C)O ZINC000026953055 561828959 /nfs/dbraw/zinc/82/89/59/561828959.db2.gz PXCAGBIMABECBU-FPGQYOCASA-N 1 0 710.876 2.691 1 0 KFAFRO CC[NH+](CC)CCC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@H](C)O ZINC000026953063 561828909 /nfs/dbraw/zinc/82/89/09/561828909.db2.gz PXCAGBIMABECBU-FUGQWFOLSA-N 1 0 710.876 2.691 1 0 KFAFRO CC[NH+](CC)CCC(=O)N[C@@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)[C@H](C)O ZINC000026953072 561828971 /nfs/dbraw/zinc/82/89/71/561828971.db2.gz PXCAGBIMABECBU-YVMCEVGWSA-N 1 0 710.876 2.691 1 0 KFAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc3c(cc2c1CC[NH2+]CC(C)C)OCCO3 ZINC000026956827 561829353 /nfs/dbraw/zinc/82/93/53/561829353.db2.gz LDZQWBPLYHYKQP-NDEPHWFRSA-N 1 0 505.571 2.639 1 0 KFAFRO CC[C@@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cc3c(cc2c1CC[NH2+]CC(C)C)OCCO3 ZINC000026956836 561829334 /nfs/dbraw/zinc/82/93/34/561829334.db2.gz LDZQWBPLYHYKQP-MUUNZHRXSA-N 1 0 505.571 2.639 1 0 KFAFRO CC[C@@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026958304 561829350 /nfs/dbraw/zinc/82/93/50/561829350.db2.gz BNOLBIZBZSNFCV-WQIZZMQYSA-N 1 0 505.571 2.987 1 0 KFAFRO CC[C@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026958318 561829322 /nfs/dbraw/zinc/82/93/22/561829322.db2.gz BNOLBIZBZSNFCV-OHZJNBGDSA-N 1 0 505.571 2.987 1 0 KFAFRO CC[C@@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026958325 561829312 /nfs/dbraw/zinc/82/93/12/561829312.db2.gz BNOLBIZBZSNFCV-JMGYQRAPSA-N 1 0 505.571 2.987 1 0 KFAFRO CC[C@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026958335 561829361 /nfs/dbraw/zinc/82/93/61/561829361.db2.gz BNOLBIZBZSNFCV-HBIPHATFSA-N 1 0 505.571 2.987 1 0 KFAFRO CC(C)([NH3+])CC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026958603 561829496 /nfs/dbraw/zinc/82/94/96/561829496.db2.gz XGVZZLJCROAVQB-RUZDIDTESA-N 1 0 527.629 2.979 1 0 KFAFRO NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)NCc5ccccc5)cc4)CC3)cc2c1 ZINC000026973857 561830641 /nfs/dbraw/zinc/83/06/41/561830641.db2.gz WONPGIGMVCAFNO-UHFFFAOYSA-N 1 0 569.618 2.775 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N ZINC000026975158 561830807 /nfs/dbraw/zinc/83/08/07/561830807.db2.gz MFAFAEJTFBGXMU-SJWYQIPUSA-N 1 0 752.958 2.973 1 0 KFAFRO O=C(NCCNCC[NH2+]CCNC(=O)c1cc(Br)c(Br)[nH]1)c1cc(Br)c(Br)[nH]1 ZINC000026978614 561831130 /nfs/dbraw/zinc/83/11/30/561831130.db2.gz FWHUPWYRMXUXKB-UHFFFAOYSA-N 1 0 647.992 2.732 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027082629 561835465 /nfs/dbraw/zinc/83/54/65/561835465.db2.gz KDRBETXPMDUKMX-XXEBQWMLSA-N 1 0 507.675 2.750 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000027082635 561835476 /nfs/dbraw/zinc/83/54/76/561835476.db2.gz KDRBETXPMDUKMX-BDYXOVRASA-N 1 0 507.675 2.750 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2OC)cc1 ZINC000027100581 561838671 /nfs/dbraw/zinc/83/86/71/561838671.db2.gz FMIAVEUDQQPCOV-OZXSUGGESA-N 1 0 529.615 2.958 1 0 KFAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccc(CCOCC3CC3)cc2)cc1 ZINC000027101142 561838642 /nfs/dbraw/zinc/83/86/42/561838642.db2.gz XHQMHGWNIXRDEV-CJFMBICVSA-N 1 0 522.646 2.874 1 0 KFAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@@H](O)COc2ccc(CCOCC3CC3)cc2)cc1 ZINC000027101150 561838730 /nfs/dbraw/zinc/83/87/30/561838730.db2.gz XHQMHGWNIXRDEV-NBGIEHNGSA-N 1 0 522.646 2.874 1 0 KFAFRO C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccc(CCOCC3CC3)cc2)cc1 ZINC000027101155 561838721 /nfs/dbraw/zinc/83/87/21/561838721.db2.gz XHQMHGWNIXRDEV-NLFFAJNJSA-N 1 0 522.646 2.874 1 0 KFAFRO C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)CC[NH2+]C[C@H](O)COc2ccc(CCOCC3CC3)cc2)cc1 ZINC000027101161 561838657 /nfs/dbraw/zinc/83/86/57/561838657.db2.gz XHQMHGWNIXRDEV-CPJSRVTESA-N 1 0 522.646 2.874 1 0 KFAFRO CN1CC[NH+]=C1c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c(F)c(O[C@H]3C[NH2+][C@H](C(=O)[O-])C3)c2F)c1 ZINC000027102458 561839085 /nfs/dbraw/zinc/83/90/85/561839085.db2.gz VNQPTQBZRMCGSE-SJORKVTESA-N 1 0 568.537 2.820 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(O)c2)cc1 ZINC000027102672 561839153 /nfs/dbraw/zinc/83/91/53/561839153.db2.gz FCHYVYSFRFRLIW-ZCYQVOJMSA-N 1 0 515.588 2.655 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(O)cc2)cc1 ZINC000027103893 561839537 /nfs/dbraw/zinc/83/95/37/561839537.db2.gz LYIHONGEYSWGDC-ZCYQVOJMSA-N 1 0 515.588 2.655 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000027105538 561840026 /nfs/dbraw/zinc/84/00/26/561840026.db2.gz XWWMEJFJAGHZHR-HOFKKMOUSA-N 1 0 559.641 2.967 1 0 KFAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nc[nH]n1 ZINC000027105876 561840188 /nfs/dbraw/zinc/84/01/88/561840188.db2.gz PDNQJHCIOPMOOL-FWEHEUNISA-N 1 0 661.895 2.732 1 0 KFAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccccc1=O ZINC000027105955 561840130 /nfs/dbraw/zinc/84/01/30/561840130.db2.gz HYLLVLPQGWZUHR-KRCBVYEFSA-N 1 0 655.862 2.683 1 0 in-vitro KFAFRO COc1ccc([C@H]([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000027106405 561840251 /nfs/dbraw/zinc/84/02/51/561840251.db2.gz SUCUIQQTIPILON-URXFXBBRSA-N 1 0 529.571 2.504 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000027106680 561840274 /nfs/dbraw/zinc/84/02/74/561840274.db2.gz QXJJXBJTLXLKJR-FIPFOOKPSA-N 1 0 589.667 2.975 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1 ZINC000027108060 561840731 /nfs/dbraw/zinc/84/07/31/561840731.db2.gz SWWWRCZKSOYBSJ-GSDHBNRESA-N 1 0 529.641 2.631 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000027108063 561840707 /nfs/dbraw/zinc/84/07/07/561840707.db2.gz UCJFKKFOEAOTGA-QKDODKLFSA-N 1 0 529.641 2.631 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000027108230 561840702 /nfs/dbraw/zinc/84/07/02/561840702.db2.gz OQVUMMPXAAYJRK-AWCRTANDSA-N 1 0 542.680 2.914 1 0 KFAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1 ZINC000027108384 561840704 /nfs/dbraw/zinc/84/07/04/561840704.db2.gz RWNFORGFQCZXSD-ORYMTKCHSA-N 1 0 655.862 2.683 1 0 KFAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1nnnn1C ZINC000027108777 561840816 /nfs/dbraw/zinc/84/08/16/561840816.db2.gz CEVZFFRSTOBDSX-LJWNLINESA-N 1 0 690.937 2.527 1 0 KFAFRO COc1ccc(NC(=O)[C@@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 ZINC000027109248 561840941 /nfs/dbraw/zinc/84/09/41/561840941.db2.gz IYVICCIHQPSHNB-AHWVRZQESA-N 1 0 529.615 2.958 1 0 KFAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OC)c2)cc1 ZINC000027109443 561840937 /nfs/dbraw/zinc/84/09/37/561840937.db2.gz XIPFERRFRIPHGR-AHWVRZQESA-N 1 0 529.615 2.958 1 0 KFAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000027180169 561841656 /nfs/dbraw/zinc/84/16/56/561841656.db2.gz GOJXTKYLQRQDGD-MMMVEFSDSA-N 1 0 558.723 2.921 1 0 KFAFRO COc1ccc2ccc(S(=O)(=O)N(Cc3cc[nH]n3)[C@H]3CCN(Cc4cccc(C(N)=[NH2+])c4)C3=O)cc2c1 ZINC000027183329 561842159 /nfs/dbraw/zinc/84/21/59/561842159.db2.gz APIAEPVFPGPDTC-VWLOTQADSA-N 1 0 532.626 2.848 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027183995 561842077 /nfs/dbraw/zinc/84/20/77/561842077.db2.gz HNBPXXKJMFWAFN-DTXPUJKBSA-N 1 0 556.707 2.956 1 0 KFAFRO NC(=O)[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1S[C@@H](c2ccccc2)N([C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C1=O ZINC000027184275 561842287 /nfs/dbraw/zinc/84/22/87/561842287.db2.gz KRUHAHDGPMQZAF-ZPCULFKHSA-N 1 0 587.746 2.882 1 0 KFAFRO NC(=O)[C@@H](CCCC[NH3+])NC(=O)C[C@H]1S[C@@H](c2ccccc2)N([C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C1=O ZINC000027184283 561842283 /nfs/dbraw/zinc/84/22/83/561842283.db2.gz KRUHAHDGPMQZAF-NIWNGRQCSA-N 1 0 587.746 2.882 1 0 KFAFRO NC(=O)[C@@H](CCCC[NH3+])NC(=O)C[C@@H]1S[C@H](c2ccccc2)N([C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C1=O ZINC000027184292 561842255 /nfs/dbraw/zinc/84/22/55/561842255.db2.gz KRUHAHDGPMQZAF-JVPIYLDOSA-N 1 0 587.746 2.882 1 0 KFAFRO NC(=O)[C@@H](CCCC[NH3+])NC(=O)C[C@H]1S[C@H](c2ccccc2)N([C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C1=O ZINC000027184299 561842310 /nfs/dbraw/zinc/84/23/10/561842310.db2.gz KRUHAHDGPMQZAF-ZQPSKXNCSA-N 1 0 587.746 2.882 1 0 KFAFRO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])nc1)C(c1ccccc1)c1ccccc1 ZINC000027187095 561842768 /nfs/dbraw/zinc/84/27/68/561842768.db2.gz QCMLBGYSMMFAEB-UKILVPOCSA-N 1 0 528.613 2.530 1 0 KFAFRO NC(=[NH2+])c1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C(c2ccccc2)c2ccccc2)cs1 ZINC000027187531 561842783 /nfs/dbraw/zinc/84/27/83/561842783.db2.gz TZMHYFQPVHJVRY-SQJMNOBHSA-N 1 0 533.654 2.514 1 0 KFAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)CCc1cc(OCCC[NH3+])ccc1-3 ZINC000027190465 561843446 /nfs/dbraw/zinc/84/34/46/561843446.db2.gz ZHVUYDSHJGZGKU-UHFFFAOYSA-N 1 0 545.684 2.882 1 0 KFAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)Cc1cc(OCCC[NH3+])ccc1-3 ZINC000027190693 561843366 /nfs/dbraw/zinc/84/33/66/561843366.db2.gz AQWKXXQGVJWCCO-UHFFFAOYSA-N 1 0 531.657 2.687 1 0 KFAFRO C[NH+](C)C[C@@H]1CCCC(=O)OC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027204926 561845722 /nfs/dbraw/zinc/84/57/22/561845722.db2.gz QDBIHKYFJADMNR-NEOPOEGOSA-N 1 0 674.836 2.624 1 0 KFAFRO C[NH+](C)C[C@H]1CCCC(=O)OC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027204931 561845684 /nfs/dbraw/zinc/84/56/84/561845684.db2.gz QDBIHKYFJADMNR-JQWBDLNTSA-N 1 0 674.836 2.624 1 0 KFAFRO C[NH+](C)C[C@@H]1CCCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027204937 561845704 /nfs/dbraw/zinc/84/57/04/561845704.db2.gz QDBIHKYFJADMNR-LOLMJFKOSA-N 1 0 674.836 2.624 1 0 KFAFRO C[NH+](C)C[C@H]1CCCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027204941 561845708 /nfs/dbraw/zinc/84/57/08/561845708.db2.gz QDBIHKYFJADMNR-FEWUNMPKSA-N 1 0 674.836 2.624 1 0 KFAFRO CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CC[NH2+]CC2)CC1 ZINC000027211093 561847169 /nfs/dbraw/zinc/84/71/69/561847169.db2.gz UTEQCWFLCDBHSG-AREMUKBSSA-N 1 0 602.201 2.892 1 0 KFAFRO CS(=O)(=O)N(CC1CC1)c1ccccc1N1CCN(C(=O)[C@H](CC(=O)N2CC[NH2+]CC2)Cc2ccc(Cl)cc2)CC1 ZINC000027213179 561847731 /nfs/dbraw/zinc/84/77/31/561847731.db2.gz XECNSIFQPWQYCT-VWLOTQADSA-N 1 0 602.201 2.845 1 0 KFAFRO Nc1nc(C[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCC[NH3+])C(=O)NCCC2CCCCC2)cs1 ZINC000027213474 561847650 /nfs/dbraw/zinc/84/76/50/561847650.db2.gz ALJALQDMLOAVOJ-ZEQRLZLVSA-N 1 0 566.813 2.786 1 0 KFAFRO NC(=[NH2+])N1CCC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000027304793 561849358 /nfs/dbraw/zinc/84/93/58/561849358.db2.gz PBXOPHCPYZXNQT-AFMDSPMNSA-N 1 0 532.670 2.932 1 0 KFAFRO NC(=[NH2+])N1CCC[C@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000027304800 561849359 /nfs/dbraw/zinc/84/93/59/561849359.db2.gz PBXOPHCPYZXNQT-NIYFSFCBSA-N 1 0 532.670 2.932 1 0 KFAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000027308026 561850003 /nfs/dbraw/zinc/85/00/03/561850003.db2.gz NXDQXTQCBFXVAM-UHFFFAOYSA-N 1 0 650.744 2.642 1 0 KFAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cccs4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027309439 561850362 /nfs/dbraw/zinc/85/03/62/561850362.db2.gz LWBGQAJBKBOCQN-UHFFFAOYSA-N 1 0 563.684 2.997 1 0 KFAFRO NC(=[NH2+])N1CCC[C@@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000027310067 561850499 /nfs/dbraw/zinc/85/04/99/561850499.db2.gz PBXOPHCPYZXNQT-SIBVEZHUSA-N 1 0 532.670 2.932 1 0 KFAFRO NC(=[NH2+])N1CCC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000027310073 561850527 /nfs/dbraw/zinc/85/05/27/561850527.db2.gz PBXOPHCPYZXNQT-BCHFMIIMSA-N 1 0 532.670 2.932 1 0 KFAFRO C[S@@](=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027316083 561851619 /nfs/dbraw/zinc/85/16/19/561851619.db2.gz JMOSWESHOOTQIP-CEHKMTHTSA-N 1 0 549.803 2.703 1 0 KFAFRO C[S@](=O)CC[C@@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027316088 561851670 /nfs/dbraw/zinc/85/16/70/561851670.db2.gz JMOSWESHOOTQIP-XXNHSFRKSA-N 1 0 549.803 2.703 1 0 KFAFRO C[S@@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027316093 561851613 /nfs/dbraw/zinc/85/16/13/561851613.db2.gz JMOSWESHOOTQIP-JKUMVLOGSA-N 1 0 549.803 2.703 1 0 KFAFRO C[S@](=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027316097 561851701 /nfs/dbraw/zinc/85/17/01/561851701.db2.gz JMOSWESHOOTQIP-ORWGIUFFSA-N 1 0 549.803 2.703 1 0 KFAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]([NH3+])CCCO)C2 ZINC000027320925 561852595 /nfs/dbraw/zinc/85/25/95/561852595.db2.gz WCVBVPMCCSTCON-QTRWAJEPSA-N 1 0 517.736 2.707 1 0 KFAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]([NH3+])CCCO)C2 ZINC000027320932 561852562 /nfs/dbraw/zinc/85/25/62/561852562.db2.gz WCVBVPMCCSTCON-FFMLRLECSA-N 1 0 517.736 2.707 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027321503 561852730 /nfs/dbraw/zinc/85/27/30/561852730.db2.gz VCOPBHQIUGFACT-OIFRRMEBSA-N 1 0 703.891 2.922 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027326467 561853745 /nfs/dbraw/zinc/85/37/45/561853745.db2.gz JEWZULQZYCIODN-YTCPBCGMSA-N 1 0 725.844 2.810 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC(=O)OC1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027326560 561853809 /nfs/dbraw/zinc/85/38/09/561853809.db2.gz UGSGCKVUPYUJOK-YTCPBCGMSA-N 1 0 739.921 2.556 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027327289 561853895 /nfs/dbraw/zinc/85/38/95/561853895.db2.gz OOSJNIUBUOJOCV-JBOQNHBVSA-N 1 0 719.890 2.506 1 0 KFAFRO O=c1n(CCCN2CC[NH+](CCO)CC2)nc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 ZINC000027327946 561854068 /nfs/dbraw/zinc/85/40/68/561854068.db2.gz UGBKLQIQOUAHKK-UHFFFAOYSA-N 1 0 515.445 2.692 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027407416 561855717 /nfs/dbraw/zinc/85/57/17/561855717.db2.gz BSKSZQZZQLVIPF-YTCPBCGMSA-N 1 0 707.854 2.671 1 0 KFAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCC[NH3+])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027411986 561856541 /nfs/dbraw/zinc/85/65/41/561856541.db2.gz ROFBRYFXQBSBDS-XBZWSRNISA-N 1 0 697.899 2.771 1 0 KFAFRO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cscn2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)[NH3+])OC1=O ZINC000027522556 561864536 /nfs/dbraw/zinc/86/45/36/561864536.db2.gz DQBYPOXZFQVFFV-NWBQTEKMSA-N 1 0 700.903 2.691 1 0 KFAFRO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC2)c2ccccc21 ZINC000027523143 561864884 /nfs/dbraw/zinc/86/48/84/561864884.db2.gz CNEVNNMBIGDVSA-WUFINQPMSA-N 1 0 600.745 2.500 1 0 KFAFRO C[C@@H](O)C(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027523219 561864847 /nfs/dbraw/zinc/86/48/47/561864847.db2.gz SOCZUFBAHPKXRX-RETDVDAXSA-N 1 0 573.731 2.931 1 0 KFAFRO C[C@H](O)C(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027523246 561864869 /nfs/dbraw/zinc/86/48/69/561864869.db2.gz SOCZUFBAHPKXRX-GXFGXRNXSA-N 1 0 573.731 2.931 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)CCO ZINC000027523491 561865090 /nfs/dbraw/zinc/86/50/90/561865090.db2.gz MNIMGEUUKJMGNE-GWMMUDDPSA-N 1 0 573.731 2.932 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1(CO)CCC1 ZINC000027523717 561865210 /nfs/dbraw/zinc/86/52/10/561865210.db2.gz GWOLGQLCRSIHJT-GWMMUDDPSA-N 1 0 571.715 2.686 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)CO ZINC000027523978 561865450 /nfs/dbraw/zinc/86/54/50/561865450.db2.gz YHXDKXSNJWEQRF-QEGGNFSNSA-N 1 0 559.704 2.542 1 0 KFAFRO COC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027524594 561865828 /nfs/dbraw/zinc/86/58/28/561865828.db2.gz JJLGAHCDPYFKAX-AYCKEJKLSA-N 1 0 536.654 2.814 1 0 KFAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000027524612 561865811 /nfs/dbraw/zinc/86/58/11/561865811.db2.gz CMSFKMOGRSBIOR-XMMPIXPASA-N 1 0 588.587 2.638 1 0 KFAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000027524613 561865775 /nfs/dbraw/zinc/86/57/75/561865775.db2.gz CMSFKMOGRSBIOR-DEOSSOPVSA-N 1 0 588.587 2.638 1 0 KFAFRO COC(=O)[C@H]1CCC[C@H](C)N1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027527159 561866647 /nfs/dbraw/zinc/86/66/47/561866647.db2.gz ONXYHSNJRFTIRY-RIEVBORMSA-N 1 0 536.654 2.956 1 0 KFAFRO COC(=O)[C@H]1[C@@H](C)CCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027547554 561867206 /nfs/dbraw/zinc/86/72/06/561867206.db2.gz JBRZKFRUJRRAOM-RIEVBORMSA-N 1 0 536.654 2.814 1 0 KFAFRO CCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027547974 561867328 /nfs/dbraw/zinc/86/73/28/561867328.db2.gz ZTAFSHDVHGVXTJ-RUZDIDTESA-N 1 0 584.624 2.889 1 0 KFAFRO CCC1=C(C(=O)OC)[C@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027547977 561867301 /nfs/dbraw/zinc/86/73/01/561867301.db2.gz ZTAFSHDVHGVXTJ-VWLOTQADSA-N 1 0 584.624 2.889 1 0 KFAFRO NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027550913 561867927 /nfs/dbraw/zinc/86/79/27/561867927.db2.gz LYCGSPBEABMMLZ-IZLXSDGUSA-N 1 0 603.749 2.581 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000027552206 561868130 /nfs/dbraw/zinc/86/81/30/561868130.db2.gz PROPETQILMARSL-WTOCPUKLSA-N 1 0 601.792 2.674 1 0 KFAFRO COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000027552812 561868458 /nfs/dbraw/zinc/86/84/58/561868458.db2.gz IIUJJKADZROSNV-KCGNSSGESA-N 1 0 685.870 2.949 1 0 KFAFRO COc1ccc(CN[C@@H](C(=O)NCC(=O)Nc2c[nH+]ccc2N)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027554368 561869100 /nfs/dbraw/zinc/86/91/00/561869100.db2.gz NTVCFTSPNIDVPW-QTHRWXHQSA-N 1 0 725.847 2.925 1 0 KFAFRO CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)[C@]2(O)O[C@@](C)(NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)C(=O)N12 ZINC000027557159 561869714 /nfs/dbraw/zinc/86/97/14/561869714.db2.gz FRMZDOIYBVOLRB-CTTKVJGISA-N 1 0 597.716 2.531 1 0 KFAFRO C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027559022 561870087 /nfs/dbraw/zinc/87/00/87/561870087.db2.gz XYLFUNIJCNHESI-ACRHKWHNSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027561520 561870724 /nfs/dbraw/zinc/87/07/24/561870724.db2.gz LHXYNKYCJVHHFO-YIBKTFNBSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@@H](c1ccc(O)cc1)[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027562054 561870852 /nfs/dbraw/zinc/87/08/52/561870852.db2.gz OWGXIRLGXGMAHA-YWNCIPKLSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@@H](c1ccc(O)cc1)[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027562058 561870858 /nfs/dbraw/zinc/87/08/58/561870858.db2.gz OWGXIRLGXGMAHA-YIBKTFNBSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@H](c1ccc(O)cc1)[C@@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027562346 561871024 /nfs/dbraw/zinc/87/10/24/561871024.db2.gz OWGXIRLGXGMAHA-JNSKMMGSSA-N 1 0 647.776 2.717 1 0 KFAFRO CN(C)S(=O)(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563249 561871150 /nfs/dbraw/zinc/87/11/50/561871150.db2.gz YSAFJLLWAYOWIJ-SANMLTNESA-N 1 0 572.603 2.762 1 0 KFAFRO CN(C)S(=O)(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563252 561871241 /nfs/dbraw/zinc/87/12/41/561871241.db2.gz YSAFJLLWAYOWIJ-AREMUKBSSA-N 1 0 572.603 2.762 1 0 KFAFRO C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027564238 561871863 /nfs/dbraw/zinc/87/18/63/561871863.db2.gz LHXYNKYCJVHHFO-ACRHKWHNSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027564434 561871804 /nfs/dbraw/zinc/87/18/04/561871804.db2.gz XYLFUNIJCNHESI-YIBKTFNBSA-N 1 0 647.776 2.717 1 0 KFAFRO CS(=O)(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027617763 561872167 /nfs/dbraw/zinc/87/21/67/561872167.db2.gz YZMQJVWDZXNEBA-VWLOTQADSA-N 1 0 543.561 2.915 1 0 KFAFRO CS(=O)(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027617765 561872157 /nfs/dbraw/zinc/87/21/57/561872157.db2.gz YZMQJVWDZXNEBA-RUZDIDTESA-N 1 0 543.561 2.915 1 0 KFAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nccs1 ZINC000027627180 561873236 /nfs/dbraw/zinc/87/32/36/561873236.db2.gz NBVCNSDMMKDXDV-SDHSZQHLSA-N 1 0 619.748 2.603 1 0 KFAFRO [NH3+]CCc1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027627381 561873394 /nfs/dbraw/zinc/87/33/94/561873394.db2.gz HATTVQSOELATBL-CQSZACIVSA-N 1 0 568.149 2.849 1 0 KFAFRO [NH3+]CCc1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)ccc1O ZINC000027627388 561873427 /nfs/dbraw/zinc/87/34/27/561873427.db2.gz HATTVQSOELATBL-AWEZNQCLSA-N 1 0 568.149 2.849 1 0 KFAFRO CCOC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027633075 561874170 /nfs/dbraw/zinc/87/41/70/561874170.db2.gz TZXSXJCZYMAPTN-RUZDIDTESA-N 1 0 536.654 2.815 1 0 KFAFRO CCOC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027633081 561874087 /nfs/dbraw/zinc/87/40/87/561874087.db2.gz TZXSXJCZYMAPTN-VWLOTQADSA-N 1 0 536.654 2.815 1 0 KFAFRO Cc1cc(CN(c2ccc(-c3ccccc3S(N)(=O)=O)cc2)S(C)(=O)=O)n(-c2cccc(C(N)=[NH2+])c2)n1 ZINC000027638066 561874854 /nfs/dbraw/zinc/87/48/54/561874854.db2.gz JXBHOVKAQIVYJP-UHFFFAOYSA-N 1 0 538.655 2.745 1 0 KFAFRO Cc1cc(CN(c2ccc(-c3ccccc3S(N)(=O)=O)cc2)S(C)(=O)=O)nn1-c1cccc(C(N)=[NH2+])c1 ZINC000027642010 561875435 /nfs/dbraw/zinc/87/54/35/561875435.db2.gz KQWJYHINBPOPOK-UHFFFAOYSA-N 1 0 538.655 2.745 1 0 KFAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)c1 ZINC000027646806 561875886 /nfs/dbraw/zinc/87/58/86/561875886.db2.gz CMCYVWKFRRVLKG-UHFFFAOYSA-N 1 0 530.492 2.532 1 0 KFAFRO CCOC(=O)C1=C(COCC[NH2+]CC(=O)NCCOC)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000027653495 561877042 /nfs/dbraw/zinc/87/70/42/561877042.db2.gz BZYQZXDOWMJCLU-LFIUJEBDSA-N 1 0 524.014 2.500 1 0 KFAFRO CCOC(=O)C1=C(COCC[NH2+]CC(=O)NCCOC)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000027653499 561877008 /nfs/dbraw/zinc/87/70/08/561877008.db2.gz BZYQZXDOWMJCLU-SCXRQHMSSA-N 1 0 524.014 2.500 1 0 KFAFRO Cn1c2ncn(CCCN3CC[NH+](CCCCSc4ccc(Cl)cc4)CC3)c2c(=O)n(C)c1=O ZINC000027711201 561879615 /nfs/dbraw/zinc/87/96/15/561879615.db2.gz RGXXOXYANWPXFO-UHFFFAOYSA-N 1 0 505.088 2.667 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027721909 561880635 /nfs/dbraw/zinc/88/06/35/561880635.db2.gz MWAQTMFPZSUQRQ-ZZEHBAPTSA-N 1 0 559.707 2.619 1 0 KFAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCNC2=O)cc(C(C)(C)C)c1O ZINC000027734095 561881569 /nfs/dbraw/zinc/88/15/69/561881569.db2.gz VMJSQTCIMVQDGV-KCHLEUMXSA-N 1 0 621.823 2.876 1 0 KFAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCNC(=O)CCCCCNC2=O)ccc1O ZINC000027735429 561881706 /nfs/dbraw/zinc/88/17/06/561881706.db2.gz QMYIRZWADGJLPZ-KCHLEUMXSA-N 1 0 607.796 2.749 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@@H](O)[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027738994 561882372 /nfs/dbraw/zinc/88/23/72/561882372.db2.gz MWAQTMFPZSUQRQ-MAAJBBKLSA-N 1 0 559.707 2.619 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027743247 561882820 /nfs/dbraw/zinc/88/28/20/561882820.db2.gz MWAQTMFPZSUQRQ-ZJQIPYTLSA-N 1 0 559.707 2.619 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027746042 561882911 /nfs/dbraw/zinc/88/29/11/561882911.db2.gz MWAQTMFPZSUQRQ-RAJZJHGCSA-N 1 0 559.707 2.619 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027746050 561882978 /nfs/dbraw/zinc/88/29/78/561882978.db2.gz MWAQTMFPZSUQRQ-LSANMVLPSA-N 1 0 559.707 2.619 1 0 KFAFRO COCc1onc(-c2cccc(C(N)=[NH2+])c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cn1 ZINC000027758287 561883800 /nfs/dbraw/zinc/88/38/00/561883800.db2.gz JXIMXKWLTVKHDN-UHFFFAOYSA-N 1 0 506.544 2.734 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1 ZINC000027768323 561884732 /nfs/dbraw/zinc/88/47/32/561884732.db2.gz JQERUKPESNWSQA-IZZNHLLZSA-N 1 0 500.599 2.587 1 0 KFAFRO NC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 ZINC000027878345 561888794 /nfs/dbraw/zinc/88/87/94/561888794.db2.gz RVOLXILWFDNKAK-RUZDIDTESA-N 1 0 535.670 2.532 1 0 KFAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)C1 ZINC000027880977 561889183 /nfs/dbraw/zinc/88/91/83/561889183.db2.gz XCVRAVMOZULGSZ-LCGRTSHQSA-N 1 0 629.787 2.794 1 0 KFAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)C1 ZINC000027880986 561889172 /nfs/dbraw/zinc/88/91/72/561889172.db2.gz XCVRAVMOZULGSZ-IWOFBJJHSA-N 1 0 629.787 2.794 1 0 KFAFRO Cn1c2ccccc2nc1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21 ZINC000027978668 561891396 /nfs/dbraw/zinc/89/13/96/561891396.db2.gz AWCMDTMSPRXSSZ-RWPDHJIBSA-N 1 0 619.726 2.602 1 0 KFAFRO CC[C@@](C)([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)n1cc(C(C)=O)c2ccccc21)C(C)C ZINC000027992239 561893192 /nfs/dbraw/zinc/89/31/92/561893192.db2.gz CKQFBCFRBCDEST-HRBBFHMGSA-N 1 0 585.746 2.539 1 0 KFAFRO CC[C@](C)([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)n1cc(C(C)=O)c2ccccc21)C(C)C ZINC000027992245 561893217 /nfs/dbraw/zinc/89/32/17/561893217.db2.gz CKQFBCFRBCDEST-ZLENKHFMSA-N 1 0 585.746 2.539 1 0 KFAFRO [NH3+]CNC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027998395 561894177 /nfs/dbraw/zinc/89/41/77/561894177.db2.gz XJVLIHWJSFYQBB-AREMUKBSSA-N 1 0 511.070 2.795 1 0 KFAFRO [NH3+]CNC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000027998400 561894181 /nfs/dbraw/zinc/89/41/81/561894181.db2.gz XJVLIHWJSFYQBB-SANMLTNESA-N 1 0 511.070 2.795 1 0 KFAFRO [NH3+][C@@H](CO)C(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000028003007 561895108 /nfs/dbraw/zinc/89/51/08/561895108.db2.gz ZREREATVBFEIBH-RPLLCQBOSA-N 1 0 604.977 2.778 1 0 KFAFRO [NH3+][C@@H](CO)C(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000028003012 561895047 /nfs/dbraw/zinc/89/50/47/561895047.db2.gz ZREREATVBFEIBH-IGKIAQTJSA-N 1 0 604.977 2.778 1 0 KFAFRO COc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1O ZINC000028012087 561896569 /nfs/dbraw/zinc/89/65/69/561896569.db2.gz FBPWXEXTXPRISS-UHFFFAOYSA-N 1 0 525.057 2.630 1 0 KFAFRO CO[C@H](C)C(=O)N(c1ccccc1)C1(COC(=O)[C@H](C)OC)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028092540 561900215 /nfs/dbraw/zinc/90/02/15/561900215.db2.gz LOZBPIHSJXHOJL-YADHBBJMSA-N 1 0 551.640 2.763 1 0 KFAFRO CO[C@H](C)C(=O)OCC1(N(C(=O)[C@@H](C)OC)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028092546 561900203 /nfs/dbraw/zinc/90/02/03/561900203.db2.gz LOZBPIHSJXHOJL-FGZHOGPDSA-N 1 0 551.640 2.763 1 0 KFAFRO CO[C@@H](C)C(=O)OCC1(N(C(=O)[C@H](C)OC)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028092551 561900194 /nfs/dbraw/zinc/90/01/94/561900194.db2.gz LOZBPIHSJXHOJL-VXKWHMMOSA-N 1 0 551.640 2.763 1 0 KFAFRO CO[C@H](C)C(=O)OCC1(N(C(=O)[C@H](C)OC)c2ccccc2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000028092557 561900241 /nfs/dbraw/zinc/90/02/41/561900241.db2.gz LOZBPIHSJXHOJL-FCHUYYIVSA-N 1 0 551.640 2.763 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3cccc(F)c3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028109926 561902897 /nfs/dbraw/zinc/90/28/97/561902897.db2.gz VVLDDYSJJWTVDM-HSZRJFAPSA-N 1 0 512.488 2.725 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3cccc(F)c3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028109934 561902915 /nfs/dbraw/zinc/90/29/15/561902915.db2.gz VVLDDYSJJWTVDM-QHCPKHFHSA-N 1 0 512.488 2.725 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3ccc(F)cc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028111695 561903178 /nfs/dbraw/zinc/90/31/78/561903178.db2.gz KFHJMKSZDUCVLI-HSZRJFAPSA-N 1 0 512.488 2.725 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3ccc(F)cc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028111701 561903182 /nfs/dbraw/zinc/90/31/82/561903182.db2.gz KFHJMKSZDUCVLI-QHCPKHFHSA-N 1 0 512.488 2.725 1 0 KFAFRO CNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc1cccc([C@@H](C[NH+]2CCCC2)N(C)C(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000028114144 561903501 /nfs/dbraw/zinc/90/35/01/561903501.db2.gz MJHKRRDTXWNJFZ-RUZDIDTESA-N 1 0 633.577 2.529 1 0 KFAFRO COc1cccc(-n2c(=O)n(C[C@H]([NH3+])c3ccccc3)c(=O)n([C@@H](C)c3c(F)cccc3F)c2=O)c1F ZINC000028115384 561903646 /nfs/dbraw/zinc/90/36/46/561903646.db2.gz KXOCOQCVQUIAAQ-KXBFYZLASA-N 1 0 512.488 2.896 1 0 KFAFRO COc1cccc(-n2c(=O)n(C[C@H]([NH3+])c3ccccc3)c(=O)n([C@H](C)c3c(F)cccc3F)c2=O)c1F ZINC000028115391 561903660 /nfs/dbraw/zinc/90/36/60/561903660.db2.gz KXOCOQCVQUIAAQ-BEFAXECRSA-N 1 0 512.488 2.896 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3ccccc3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1F ZINC000028115521 561903668 /nfs/dbraw/zinc/90/36/68/561903668.db2.gz VBQOPVRVJRANQO-FQEVSTJZSA-N 1 0 512.488 2.725 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3ccccc3C)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028116394 561903806 /nfs/dbraw/zinc/90/38/06/561903806.db2.gz FNDVKVRTBILOBS-XMMPIXPASA-N 1 0 508.525 2.895 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3ccccc3C)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028116400 561903778 /nfs/dbraw/zinc/90/37/78/561903778.db2.gz FNDVKVRTBILOBS-DEOSSOPVSA-N 1 0 508.525 2.895 1 0 KFAFRO Cc1cc(O)cc(C(C)C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028116985 561903915 /nfs/dbraw/zinc/90/39/15/561903915.db2.gz CLVKKUURJFCWPP-YDPTYEFTSA-N 1 0 627.786 2.625 1 0 KFAFRO COc1cccc(-n2c(=O)n(Cc3c(F)cccc3Cl)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028117127 561903925 /nfs/dbraw/zinc/90/39/25/561903925.db2.gz BEMWHSSLIDMZQS-IBGZPJMESA-N 1 0 514.916 2.849 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3cccs3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028118026 561904113 /nfs/dbraw/zinc/90/41/13/561904113.db2.gz PCPCJYQXCOEAMN-HXUWFJFHSA-N 1 0 500.527 2.648 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3cccs3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028118031 561904071 /nfs/dbraw/zinc/90/40/71/561904071.db2.gz PCPCJYQXCOEAMN-FQEVSTJZSA-N 1 0 500.527 2.648 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3ccccc3F)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028118591 561904268 /nfs/dbraw/zinc/90/42/68/561904268.db2.gz PEAXUESHSUFUMR-HSZRJFAPSA-N 1 0 512.488 2.725 1 0 KFAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3ccccc3F)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028118597 561904232 /nfs/dbraw/zinc/90/42/32/561904232.db2.gz PEAXUESHSUFUMR-QHCPKHFHSA-N 1 0 512.488 2.725 1 0 KFAFRO CN(CCCNS(=O)(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)C(N)=[NH2+] ZINC000028122502 561904627 /nfs/dbraw/zinc/90/46/27/561904627.db2.gz GPHAAINLJRTNPA-UHFFFAOYSA-N 1 0 502.472 2.623 1 0 KFAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)N(C)C(C)=O ZINC000028222243 561907556 /nfs/dbraw/zinc/90/75/56/561907556.db2.gz MPVDEAQIZKNZHU-FTJBHMTQSA-N 1 0 516.646 2.838 1 0 KFAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)N(C)C(C)=O ZINC000028223893 561907707 /nfs/dbraw/zinc/90/77/07/561907707.db2.gz MPVDEAQIZKNZHU-CLJLJLNGSA-N 1 0 516.646 2.838 1 0 KFAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@](C)(Cc1c[nH]c2ccccc12)NC(C)=O ZINC000028224705 561907790 /nfs/dbraw/zinc/90/77/90/561907790.db2.gz QRFLMSSORIXDEX-VAVYLYDRSA-N 1 0 516.646 2.886 1 0 KFAFRO CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028224782 561907767 /nfs/dbraw/zinc/90/77/67/561907767.db2.gz HHNFGHMUUCYEFJ-RPWUZVMVSA-N 1 0 518.618 2.845 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028225165 561907797 /nfs/dbraw/zinc/90/77/97/561907797.db2.gz HZUSGMCOWKTQFO-JWQCQUIFSA-N 1 0 502.619 2.577 1 0 KFAFRO Cn1cc(NC(=O)c2nc(NC(=O)CCCCOc3c4occc4cc4ccc(=O)oc43)cn2C)nc1C(=O)NCC[NH+](C)C ZINC000028228496 561908633 /nfs/dbraw/zinc/90/86/33/561908633.db2.gz PURJQKJJGSDXQD-UHFFFAOYSA-N 1 0 618.651 2.738 1 0 KFAFRO CN(C)CC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028230914 561909103 /nfs/dbraw/zinc/90/91/03/561909103.db2.gz COMZNWYUZVTMOW-BQMULWJUSA-N 1 0 570.800 2.770 1 0 KFAFRO C[C@@H](O)C[NH2+][C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028230981 561909098 /nfs/dbraw/zinc/90/90/98/561909098.db2.gz KNYQGXSYPIRBIP-PUSXBYOUSA-N 1 0 557.757 2.589 1 0 KFAFRO C[C@H](CO)[NH2+][C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028230987 561909109 /nfs/dbraw/zinc/90/91/09/561909109.db2.gz LJTXIIWEVACSSL-PUSXBYOUSA-N 1 0 557.757 2.589 1 0 KFAFRO Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](C[C@@H]2NC(=O)[C@H]2CCC[NH2+]C2)C3(C)C)CC1 ZINC000028260204 561912061 /nfs/dbraw/zinc/91/20/61/561912061.db2.gz KOLUAOCVAXUZBS-MKKLIPOPSA-N 1 0 502.725 2.758 1 0 KFAFRO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1nn(CN3CCOCC3)c(=S)o1)C2 ZINC000028262019 561912363 /nfs/dbraw/zinc/91/23/63/561912363.db2.gz VKGPJOWMIQLRQU-MWZBAZNMSA-N 1 0 538.670 2.892 1 0 KFAFRO Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](C[C@@H]2NC(=O)[C@@H]2CCC[NH2+]C2)C3(C)C)CC1 ZINC000028262179 561912284 /nfs/dbraw/zinc/91/22/84/561912284.db2.gz KOLUAOCVAXUZBS-QRSXMVCTSA-N 1 0 502.725 2.758 1 0 KFAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H]([NH3+])C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O ZINC000028263953 561912495 /nfs/dbraw/zinc/91/24/95/561912495.db2.gz PIDIYHLRPPOBRW-KBHMVLSPSA-N 1 0 707.913 2.784 1 0 KFAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@H]([NH3+])C[C@@H](O)[C@@H]2Cc3ccc(cc3)OCCCCC(=O)N[C@@H](C(C)C)C(=O)N2)Cc2ccc(cc2)OCCCNC1=O ZINC000028263963 561912499 /nfs/dbraw/zinc/91/24/99/561912499.db2.gz PIDIYHLRPPOBRW-XLMMWMAHSA-N 1 0 707.913 2.784 1 0 KFAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O ZINC000028338327 561913727 /nfs/dbraw/zinc/91/37/27/561913727.db2.gz GQYRIEWGMRMRQK-INIZCTEOSA-N 1 0 539.489 2.817 1 0 KFAFRO [NH3+][C@H](Cc1c[nH]c2ccccc12)Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2c(F)cccc2F)c1=O ZINC000028338331 561913713 /nfs/dbraw/zinc/91/37/13/561913713.db2.gz GQYRIEWGMRMRQK-MRXNPFEDSA-N 1 0 539.489 2.817 1 0 KFAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCN2CCOCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028338900 561913685 /nfs/dbraw/zinc/91/36/85/561913685.db2.gz ODAKPPVGOUGIPS-CZNDPXEESA-N 1 0 645.248 2.852 1 0 KFAFRO CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCC[n+]4cccc(C(C)=O)c4)ccc3nc2-1 ZINC000028344723 561914618 /nfs/dbraw/zinc/91/46/18/561914618.db2.gz MRCSKWNYAGQGBX-LJAQVGFWSA-N 1 0 512.542 2.649 1 0 KFAFRO C[N@H+](CCO)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028346370 561914886 /nfs/dbraw/zinc/91/48/86/561914886.db2.gz WRFFIJFWYSNDEE-LOYHVIPDSA-N 1 0 590.168 2.855 1 0 KFAFRO CN1CC[NH2+]C[C@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C2CCCCC2)CC1 ZINC000028348044 561915118 /nfs/dbraw/zinc/91/51/18/561915118.db2.gz AQQUROKWABNSSB-FTJBHMTQSA-N 1 0 557.755 2.860 1 0 KFAFRO C[N@@H+]1CCN[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028352388 561915699 /nfs/dbraw/zinc/91/56/99/561915699.db2.gz YDGSHFJUSTYFRE-UIOOFZCWSA-N 1 0 557.755 2.860 1 0 KFAFRO NC(=O)CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000028352486 561915708 /nfs/dbraw/zinc/91/57/08/561915708.db2.gz SRNISDFDJIOHDQ-KAGYGMCKSA-N 1 0 505.644 2.788 1 0 KFAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028357131 561916329 /nfs/dbraw/zinc/91/63/29/561916329.db2.gz YDGSHFJUSTYFRE-CLJLJLNGSA-N 1 0 557.755 2.860 1 0 KFAFRO CC(C)C1CCC([NH+]2CCC(N3c4ccccc4CN(CCNS(C)(=O)=O)S3(=O)=O)CC2)CC1 ZINC000028364335 561917334 /nfs/dbraw/zinc/91/73/34/561917334.db2.gz UWSDSRWIVNZAJR-UHFFFAOYSA-N 1 0 512.742 2.782 1 0 KFAFRO CN(C)C(=[NH2+])c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028364425 561917291 /nfs/dbraw/zinc/91/72/91/561917291.db2.gz UTQOZNPCPGRGHM-LJQANCHMSA-N 1 0 529.439 2.871 1 0 KFAFRO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCC[n+]4cccc(F)c4)cc2cc1C3 ZINC000028364575 561917309 /nfs/dbraw/zinc/91/73/09/561917309.db2.gz FDGNQZJRCAWAQQ-NDEPHWFRSA-N 1 0 502.522 2.975 1 0 KFAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028366986 561917665 /nfs/dbraw/zinc/91/76/65/561917665.db2.gz XOYILJUUEBMQRE-IFUHQHCFSA-N 1 0 600.801 2.647 1 0 KFAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1C[C@H](O)C[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028366994 561917629 /nfs/dbraw/zinc/91/76/29/561917629.db2.gz XOYILJUUEBMQRE-RXRNZFNZSA-N 1 0 600.801 2.647 1 0 KFAFRO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(OCCC[n+]4cccc(C=O)c4)cc2cc1C3 ZINC000028367754 561917828 /nfs/dbraw/zinc/91/78/28/561917828.db2.gz WGHYROKLXKLCJK-LJAQVGFWSA-N 1 0 512.542 2.649 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C[C@@H]([NH3+])Cc3ccccc3)[C@@H](Cc3ccccc3)C2)c1 ZINC000028373408 561918790 /nfs/dbraw/zinc/91/87/90/561918790.db2.gz FOJSXRONJUPKFM-LSYYVWMOSA-N 1 0 535.714 2.796 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000028375209 561919083 /nfs/dbraw/zinc/91/90/83/561919083.db2.gz NTZYUXWXXOASEM-JOCHJYFZSA-N 1 0 629.537 2.610 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000028375219 561919078 /nfs/dbraw/zinc/91/90/78/561919078.db2.gz NTZYUXWXXOASEM-QFIPXVFZSA-N 1 0 629.537 2.610 1 0 KFAFRO CN1CC[NH+]=C1c1ccc(C(=O)N[C@H](CC(=O)Nc2ccc(Br)cn2)C(=O)N2CCCCC2)cc1 ZINC000028375498 561919100 /nfs/dbraw/zinc/91/91/00/561919100.db2.gz UHKPIJINYDQXFZ-HXUWFJFHSA-N 1 0 541.450 2.676 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000028376933 561919334 /nfs/dbraw/zinc/91/93/34/561919334.db2.gz ZRQJKONBYKQALT-XMSQKQJNSA-N 1 0 629.537 2.610 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000028376941 561919429 /nfs/dbraw/zinc/91/94/29/561919429.db2.gz ZRQJKONBYKQALT-GCJKJVERSA-N 1 0 629.537 2.610 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000028376950 561919394 /nfs/dbraw/zinc/91/93/94/561919394.db2.gz ZRQJKONBYKQALT-PGRDOPGGSA-N 1 0 629.537 2.610 1 0 KFAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000028376959 561919431 /nfs/dbraw/zinc/91/94/31/561919431.db2.gz ZRQJKONBYKQALT-AVRDEDQJSA-N 1 0 629.537 2.610 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3F)[C@@H](Cc3ccccc3)C2)c1 ZINC000028377494 561919474 /nfs/dbraw/zinc/91/94/74/561919474.db2.gz GBBBKJDYCNYZCS-IGKIAQTJSA-N 1 0 581.714 2.851 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3F)[C@H](Cc3ccccc3)C2)c1 ZINC000028377505 561919491 /nfs/dbraw/zinc/91/94/91/561919491.db2.gz GBBBKJDYCNYZCS-RPLLCQBOSA-N 1 0 581.714 2.851 1 0 KFAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2C[NH2+]CCCO)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028380303 561919993 /nfs/dbraw/zinc/91/99/93/561919993.db2.gz JZDARCOOPOEMPB-LOYHVIPDSA-N 1 0 590.168 2.903 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccccc3F)[C@@H](Cc3ccccc3)C2)c1 ZINC000028384441 561920787 /nfs/dbraw/zinc/92/07/87/561920787.db2.gz GBBBKJDYCNYZCS-SQHAQQRYSA-N 1 0 581.714 2.851 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccccc3F)[C@H](Cc3ccccc3)C2)c1 ZINC000028385178 561920995 /nfs/dbraw/zinc/92/09/95/561920995.db2.gz GBBBKJDYCNYZCS-SHQCIBLASA-N 1 0 581.714 2.851 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccccc3)[C@@H](Cc3ccccc3)C2)c1 ZINC000028386169 561921038 /nfs/dbraw/zinc/92/10/38/561921038.db2.gz KGJULGSPFQYBAN-NAKRPHOHSA-N 1 0 563.724 2.712 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccccc3)[C@H](Cc3ccccc3)C2)c1 ZINC000028386175 561921098 /nfs/dbraw/zinc/92/10/98/561921098.db2.gz KGJULGSPFQYBAN-LEAFIULHSA-N 1 0 563.724 2.712 1 0 KFAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4ccc(N)cc4)c3)c[nH]c21 ZINC000028387263 561921387 /nfs/dbraw/zinc/92/13/87/561921387.db2.gz YZDJJDUQLKLKMJ-QHCPKHFHSA-N 1 0 528.656 2.820 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)[C@@H](Cc3ccccc3)C2)c1 ZINC000028387386 561921335 /nfs/dbraw/zinc/92/13/35/561921335.db2.gz KGJULGSPFQYBAN-LSYYVWMOSA-N 1 0 563.724 2.712 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)[C@H](Cc3ccccc3)C2)c1 ZINC000028387392 561921367 /nfs/dbraw/zinc/92/13/67/561921367.db2.gz KGJULGSPFQYBAN-LBNVMWSVSA-N 1 0 563.724 2.712 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccc(F)c(F)c3)[C@@H](Cc3ccccc3)C2)c1 ZINC000028387398 561921412 /nfs/dbraw/zinc/92/14/12/561921412.db2.gz PUKARVRQDSPFPB-OZXSUGGESA-N 1 0 599.704 2.990 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@@H]([NH3+])Cc3ccc(F)c(F)c3)[C@H](Cc3ccccc3)C2)c1 ZINC000028387405 561921457 /nfs/dbraw/zinc/92/14/57/561921457.db2.gz PUKARVRQDSPFPB-JYFHCDHNSA-N 1 0 599.704 2.990 1 0 KFAFRO [NH3+][C@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 ZINC000028390968 561922210 /nfs/dbraw/zinc/92/22/10/561922210.db2.gz FEFCYNYYEURJOF-GMAHTHKFSA-N 1 0 513.038 2.565 1 0 KFAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c21 ZINC000028455618 561923623 /nfs/dbraw/zinc/92/36/23/561923623.db2.gz KDYJYGTZHCVDAG-QHCPKHFHSA-N 1 0 528.656 2.820 1 0 KFAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCCC[NH3+])cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028455654 561923563 /nfs/dbraw/zinc/92/35/63/561923563.db2.gz JWNSHYKWAORHJT-JIPUOCAHSA-N 1 0 663.790 2.640 1 0 KFAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4N)c3)c[nH]c21 ZINC000028457702 561924315 /nfs/dbraw/zinc/92/43/15/561924315.db2.gz AZCIFZCMLRPRAC-QFIPXVFZSA-N 1 0 528.656 2.820 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028458688 561924509 /nfs/dbraw/zinc/92/45/09/561924509.db2.gz QODYZVJKMXZZOM-RJGJBJKLSA-N 1 0 562.575 2.506 1 0 KFAFRO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(S(C)(=O)=O)cc3)s2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000028462649 561925663 /nfs/dbraw/zinc/92/56/63/561925663.db2.gz FVRXHJBKRKPUTR-MOPGFXCFSA-N 1 0 504.678 2.721 1 0 KFAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)C(F)(F)F)CCCCC2)CC1 ZINC000028462671 561925630 /nfs/dbraw/zinc/92/56/30/561925630.db2.gz HNZBQJZOBDROGE-HXUWFJFHSA-N 1 0 580.479 2.895 1 0 KFAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(=O)NCC(F)(F)F)c1 ZINC000028470192 561926830 /nfs/dbraw/zinc/92/68/30/561926830.db2.gz GFHOGEJSWKEKFD-QGZVFWFLSA-N 1 0 657.698 2.734 1 0 KFAFRO COc1cccc(-c2cn(Cc3c(F)cccc3S(=O)(=O)N(C)C)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028472134 561927060 /nfs/dbraw/zinc/92/70/60/561927060.db2.gz MTBPITSBZJBCBP-QHCPKHFHSA-N 1 0 570.618 2.962 1 0 KFAFRO COc1cccc(-c2cn(Cc3c(F)cccc3S(=O)(=O)N3CCOCC3)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028472138 561927073 /nfs/dbraw/zinc/92/70/73/561927073.db2.gz FTVDFIQWBPUBAQ-VWLOTQADSA-N 1 0 612.655 2.733 1 0 KFAFRO CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccccc2)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000028472500 561927264 /nfs/dbraw/zinc/92/72/64/561927264.db2.gz RFTFWKNANMTQDF-AHKZPQOWSA-N 1 0 507.656 2.974 1 0 KFAFRO CCOC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1 ZINC000028475111 561927715 /nfs/dbraw/zinc/92/77/15/561927715.db2.gz BFNAHZQHOSLNRC-YADARESESA-N 1 0 571.634 2.761 1 0 KFAFRO CCOC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1 ZINC000028475114 561927734 /nfs/dbraw/zinc/92/77/34/561927734.db2.gz BFNAHZQHOSLNRC-CYFREDJKSA-N 1 0 571.634 2.761 1 0 KFAFRO CCOC(=O)/C(=C(\COC(=O)[C@@H](N)CCCC[NH3+])c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000028476308 561928159 /nfs/dbraw/zinc/92/81/59/561928159.db2.gz KEHAXOPLTMKRMP-PPCHASGVSA-N 1 0 524.586 2.842 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028520415 561928807 /nfs/dbraw/zinc/92/88/07/561928807.db2.gz MWKPJPXQLBKRTI-ACHIHNKUSA-N 1 0 647.780 2.800 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028520524 561928986 /nfs/dbraw/zinc/92/89/86/561928986.db2.gz XHOCYRSGCLBRIZ-FLNQWHAFSA-N 1 0 528.558 2.792 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028520526 561928960 /nfs/dbraw/zinc/92/89/60/561928960.db2.gz XHOCYRSGCLBRIZ-YMACDFMISA-N 1 0 528.558 2.792 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028520776 561929018 /nfs/dbraw/zinc/92/90/18/561929018.db2.gz TYHVJWCMYQIUHX-ULNSLHSMSA-N 1 0 568.722 2.753 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028520953 561929207 /nfs/dbraw/zinc/92/92/07/561929207.db2.gz LQJQPMRIDIEKAX-FLNQWHAFSA-N 1 0 528.558 2.744 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028520955 561929192 /nfs/dbraw/zinc/92/91/92/561929192.db2.gz LQJQPMRIDIEKAX-YMACDFMISA-N 1 0 528.558 2.744 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CCC[NH3+])[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028521565 561929292 /nfs/dbraw/zinc/92/92/92/561929292.db2.gz BSNJJXZIIFBNFK-DCHFCWSPSA-N 1 0 514.531 2.531 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028521568 561929264 /nfs/dbraw/zinc/92/92/64/561929264.db2.gz BSNJJXZIIFBNFK-JNTAVDMJSA-N 1 0 514.531 2.531 1 0 KFAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NCC[NH+](C)C)oc2c1 ZINC000028523875 561930642 /nfs/dbraw/zinc/93/06/42/561930642.db2.gz GRHTUDDQZGZKPC-NELFTDMGSA-N 1 0 659.806 2.908 1 0 KFAFRO CCCS(=O)(=O)Nc1ccc2c(c1)CC[C@@H](C(=O)N(C)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1)O2 ZINC000028564416 561935590 /nfs/dbraw/zinc/93/55/90/561935590.db2.gz CFVDZEBIIWCJDD-ARNLJNQMSA-N 1 0 501.649 2.798 1 0 KFAFRO C[NH+](C)Cc1c[nH]c2c(c(-c3ccnc(N)n3)c3cc(-c4ccnc(N)n4)nc(NCc4ccccc4)n32)c1=O ZINC000028568227 561937275 /nfs/dbraw/zinc/93/72/75/561937275.db2.gz HJMPVGOUFIQGFA-UHFFFAOYSA-N 1 0 533.600 2.928 1 0 KFAFRO COc1ccnc2c1c(-c1ccnc(N)n1)c1cc(C(=O)NCC[NH+](C)C)nc(NCc3ccccc3)n12 ZINC000028568599 561937372 /nfs/dbraw/zinc/93/73/72/561937372.db2.gz WUPSVKFSOBXWSD-UHFFFAOYSA-N 1 0 511.590 2.834 1 0 KFAFRO NC(=[NH2+])NCCC[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1 ZINC000028571976 561939609 /nfs/dbraw/zinc/93/96/09/561939609.db2.gz ZKTNTRAJYNNFHC-UJOGNLFBSA-N 1 0 582.749 2.878 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(F)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572559 561940216 /nfs/dbraw/zinc/94/02/16/561940216.db2.gz KABXSDXINAJSBE-GDLZYMKVSA-N 1 0 577.567 2.946 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572560 561940190 /nfs/dbraw/zinc/94/01/90/561940190.db2.gz KABXSDXINAJSBE-LJAQVGFWSA-N 1 0 577.567 2.946 1 0 KFAFRO Nc1nc(N2CC[N@@H+]3C[C@@H](CN(Cc4ccccn4)Cc4ccccn4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000028604339 561940646 /nfs/dbraw/zinc/94/06/46/561940646.db2.gz KBQGPLQKTKHTIL-QPPBQGQZSA-N 1 0 551.659 2.755 1 0 KFAFRO Nc1nc(N2CC[N@@H+]3C[C@H](CN(Cc4cccnc4)Cc4cccnc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000028604367 561940694 /nfs/dbraw/zinc/94/06/94/561940694.db2.gz HNYJIMBAFFAEPW-ZEQRLZLVSA-N 1 0 551.659 2.755 1 0 KFAFRO Cn1nc(C(F)(F)F)c(CN2CC[N@@H+]3C[C@@H](CNc4nc5nc(-c6ccco6)nn5c(N)n4)CC[C@@H]3C2)c1Cl ZINC000028635723 561941167 /nfs/dbraw/zinc/94/11/67/561941167.db2.gz ANYPNSMNRSQVDF-ZIAGYGMSSA-N 1 0 565.992 2.776 1 0 KFAFRO C[N@H+](C1CCOCC1)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O ZINC000028637232 561941561 /nfs/dbraw/zinc/94/15/61/561941561.db2.gz POMMOISAYYMACN-OGICNVKRSA-N 1 0 678.834 2.650 1 0 KFAFRO COc1cc(/C=C/C(=O)OCCOCC[NH2+]CCOCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637243 561941530 /nfs/dbraw/zinc/94/15/30/561941530.db2.gz FGMOXEXEGPUTDD-BQYQJAHWSA-N 1 0 607.653 2.774 1 0 KFAFRO CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1cccc(CSC(N)=[NH2+])c1 ZINC000028653030 561946160 /nfs/dbraw/zinc/94/61/60/561946160.db2.gz LFEFPTCLUIGEKE-AUECHSEWSA-O 1 0 558.731 2.838 1 0 KFAFRO Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1 ZINC000028654489 561946484 /nfs/dbraw/zinc/94/64/84/561946484.db2.gz NHSNBLRALWOIIA-YRCZKMHPSA-N 1 0 641.813 2.735 1 0 in-vivo KFAFRO CCc1cccc(C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654498 561946473 /nfs/dbraw/zinc/94/64/73/561946473.db2.gz FZEQHIVEBCRYJC-YRCZKMHPSA-N 1 0 641.813 2.681 1 0 in-vivo KFAFRO Cc1cccc(C(C)C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654503 561946445 /nfs/dbraw/zinc/94/64/45/561946445.db2.gz ZMMDWGMVKHLYTG-YDPTYEFTSA-N 1 0 627.786 2.625 1 0 in-vivo KFAFRO CC(C)[C@H](NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@H]1C(N)=O ZINC000028655471 561946557 /nfs/dbraw/zinc/94/65/57/561946557.db2.gz VJRBXIHTQMRKQY-JXSIFGCMSA-N 1 0 628.749 2.521 1 0 KFAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](C(=O)NCCCO)c3ccccc32)CC1 ZINC000028706006 561949318 /nfs/dbraw/zinc/94/93/18/561949318.db2.gz RSFUUSCMLQJHSG-XNMGPUDCSA-N 1 0 548.728 2.778 1 0 KFAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](C(=O)NCCCO)c3ccccc32)CC1 ZINC000028706042 561949356 /nfs/dbraw/zinc/94/93/56/561949356.db2.gz RSFUUSCMLQJHSG-AHKZPQOWSA-N 1 0 548.728 2.778 1 0 KFAFRO CCCCCCOC(=O)CN[C@H](CCc1cccc[n+]1[O-])C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706288 561949535 /nfs/dbraw/zinc/94/95/35/561949535.db2.gz PSTVIFICYNSMMG-SXOMAYOGSA-N 1 0 588.149 2.754 1 0 KFAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1 ZINC000028706290 561949563 /nfs/dbraw/zinc/94/95/63/561949563.db2.gz FHVWKHLVLPLXNR-SXOMAYOGSA-N 1 0 586.133 2.506 1 0 KFAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CF)cc(NC[C@@H]2C[C@@H]2C)n1 ZINC000028708834 561950582 /nfs/dbraw/zinc/95/05/82/561950582.db2.gz SIBWATARUGFMIW-MQGJPIDWSA-N 1 0 505.660 2.962 1 0 KFAFRO Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccc(C3=[NH+]CCN3)cc2)c1 ZINC000028709873 561950764 /nfs/dbraw/zinc/95/07/64/561950764.db2.gz HELGBHFYHFCUBO-UHFFFAOYSA-N 1 0 506.010 2.777 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H]1[C@@H](CO[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)O[C@@H](n2cnc3c2ncnc3N)[C@]1(C)O ZINC000028711179 561951831 /nfs/dbraw/zinc/95/18/31/561951831.db2.gz NUTMISQGCRDHGS-BQGKVRBMSA-N 1 0 610.992 2.908 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H]1[C@@H](CO[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)O[C@@H](n2cnc3c2ncnc3N)[C@]1(C)O ZINC000028711180 561951808 /nfs/dbraw/zinc/95/18/08/561951808.db2.gz NUTMISQGCRDHGS-ZHYAMPGLSA-N 1 0 610.992 2.908 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H]1[C@@H](CO[P@@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)O[C@@H](n2cnc3c2ncnc3N)[C@]1(C)O ZINC000028711181 561951822 /nfs/dbraw/zinc/95/18/22/561951822.db2.gz NUTMISQGCRDHGS-LRXFMVTESA-N 1 0 610.992 2.908 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H]1[C@@H](CO[P@]2(=O)OCC[C@H](c3cccc(Cl)c3)O2)O[C@@H](n2cnc3c2ncnc3N)[C@]1(C)O ZINC000028711182 561951799 /nfs/dbraw/zinc/95/17/99/561951799.db2.gz NUTMISQGCRDHGS-WGCKMUCSSA-N 1 0 610.992 2.908 1 0 KFAFRO C[NH+]1CCN(CCC[C@@H](O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1 ZINC000028711444 561951979 /nfs/dbraw/zinc/95/19/79/561951979.db2.gz AVYHLZIFMTVPKS-SQJMNOBHSA-N 1 0 509.586 2.566 1 0 KFAFRO C[NH+]1CCN(CCC[C@H](O)c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CC1 ZINC000028711445 561951961 /nfs/dbraw/zinc/95/19/61/561951961.db2.gz AVYHLZIFMTVPKS-OFVILXPXSA-N 1 0 509.586 2.566 1 0 KFAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH2+]C(CCO)CCO)CCCC1)c1cc2ccccc2s1 ZINC000028711679 561952197 /nfs/dbraw/zinc/95/21/97/561952197.db2.gz ADHVEVWNGPYDIB-AREMUKBSSA-N 1 0 594.778 2.901 1 0 KFAFRO C[C@@H](Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000028711801 561952446 /nfs/dbraw/zinc/95/24/46/561952446.db2.gz RELXGTOYBSZOIJ-QMHKHESXSA-N 1 0 527.555 2.599 1 0 KFAFRO C[C@H](Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000028711802 561952421 /nfs/dbraw/zinc/95/24/21/561952421.db2.gz RELXGTOYBSZOIJ-WAIKUNEKSA-N 1 0 527.555 2.599 1 0 KFAFRO C[C@@H](Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000028711803 561952423 /nfs/dbraw/zinc/95/24/23/561952423.db2.gz RELXGTOYBSZOIJ-HJPURHCSSA-N 1 0 527.555 2.599 1 0 KFAFRO C[C@H](Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000028711804 561952432 /nfs/dbraw/zinc/95/24/32/561952432.db2.gz RELXGTOYBSZOIJ-MWTRTKDXSA-N 1 0 527.555 2.599 1 0 KFAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000028714173 561954594 /nfs/dbraw/zinc/95/45/94/561954594.db2.gz FASADKNPEIJICZ-UHFFFAOYSA-N 1 0 500.646 2.739 1 0 KFAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000028714183 561954777 /nfs/dbraw/zinc/95/47/77/561954777.db2.gz REJFMXQKKLHEJI-UHFFFAOYSA-N 1 0 518.636 2.878 1 0 KFAFRO COc1ccc(OC)c(S(=O)(=O)N2CCC(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)S(C)(=O)=O)CC2)c1 ZINC000028714208 561954837 /nfs/dbraw/zinc/95/48/37/561954837.db2.gz NUJNUGQNJZROPN-UHFFFAOYSA-N 1 0 560.698 2.756 1 0 KFAFRO CC(C)([NH3+])CC(=O)N[C@@H]1C[S@@](=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028754946 561955329 /nfs/dbraw/zinc/95/53/29/561955329.db2.gz PXAMOKZBAFAMRC-HEWAONCGSA-N 1 0 543.653 2.800 1 0 KFAFRO CC(C)([NH3+])CC(=O)N[C@@H]1C[S@](=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028754949 561955350 /nfs/dbraw/zinc/95/53/50/561955350.db2.gz PXAMOKZBAFAMRC-NMKYRHBASA-N 1 0 543.653 2.800 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOCOCOCOC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 ZINC000028755419 561955496 /nfs/dbraw/zinc/95/54/96/561955496.db2.gz LXBJXVJDKZXWGP-WEWMWRJBSA-N 1 0 686.781 2.831 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOCOCOCOC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]23)cc1 ZINC000028755421 561955477 /nfs/dbraw/zinc/95/54/77/561955477.db2.gz LXBJXVJDKZXWGP-SLQPCKNISA-N 1 0 686.781 2.831 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOCOCOCOC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 ZINC000028755423 561955459 /nfs/dbraw/zinc/95/54/59/561955459.db2.gz LXBJXVJDKZXWGP-ZWEKWIFMSA-N 1 0 686.781 2.831 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOCOCOCOC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)cc1 ZINC000028755425 561955566 /nfs/dbraw/zinc/95/55/66/561955566.db2.gz LXBJXVJDKZXWGP-RGSZASNESA-N 1 0 686.781 2.831 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 ZINC000028756389 561956230 /nfs/dbraw/zinc/95/62/30/561956230.db2.gz QFIGOYGFBWWOBG-ZDXQCDESSA-N 1 0 596.703 2.908 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]23)cc1 ZINC000028756391 561956227 /nfs/dbraw/zinc/95/62/27/561956227.db2.gz QFIGOYGFBWWOBG-AKFKNWHVSA-N 1 0 596.703 2.908 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 ZINC000028756393 561956246 /nfs/dbraw/zinc/95/62/46/561956246.db2.gz QFIGOYGFBWWOBG-WMTXJRDZSA-N 1 0 596.703 2.908 1 0 KFAFRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)OCOCOCOC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)cc1 ZINC000028756395 561956276 /nfs/dbraw/zinc/95/62/76/561956276.db2.gz QFIGOYGFBWWOBG-CQOQZXRMSA-N 1 0 596.703 2.908 1 0 KFAFRO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(Cl)c(OCCSC(N)=[NH2+])oc(=O)c2c1 ZINC000028757591 561956864 /nfs/dbraw/zinc/95/68/64/561956864.db2.gz QTJKTICVANSMEL-RYUDHWBXSA-N 1 0 556.041 2.808 1 0 KFAFRO CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000028767550 561959942 /nfs/dbraw/zinc/95/99/42/561959942.db2.gz ORZKASPQPNNQHV-UHFFFAOYSA-N 1 0 524.626 2.500 1 0 KFAFRO CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1 ZINC000028767892 561960076 /nfs/dbraw/zinc/96/00/76/561960076.db2.gz ZAXKLHPTMZESOW-GVAUOCQISA-N 1 0 617.751 2.913 1 0 KFAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817348 561964785 /nfs/dbraw/zinc/96/47/85/561964785.db2.gz DMBFECPHMQCGGC-UPRLRBBYSA-N 1 0 593.737 2.815 1 0 KFAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1cc(C)n[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817374 561964780 /nfs/dbraw/zinc/96/47/80/561964780.db2.gz HEINWAWHFFDZOZ-WIIGKZCBSA-N 1 0 633.762 2.750 1 0 KFAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817376 561964735 /nfs/dbraw/zinc/96/47/35/561964735.db2.gz GTUQEIQBOYMZGW-WIIGKZCBSA-N 1 0 631.746 2.509 1 0 KFAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817393 561964800 /nfs/dbraw/zinc/96/48/00/561964800.db2.gz PWINHDRBCUZSHX-JIMJEQGWSA-N 1 0 583.698 2.645 1 0 KFAFRO CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1 ZINC000028821077 561966131 /nfs/dbraw/zinc/96/61/31/561966131.db2.gz WIBJTEFCRARSQT-ZDCRTTOTSA-N 1 0 627.786 2.940 1 0 KFAFRO COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3nc4ccccc4n3CC[NH+](C)C)c2=O)cc1 ZINC000028824537 561969779 /nfs/dbraw/zinc/96/97/79/561969779.db2.gz VGEMFKGZRTXPTC-UHFFFAOYSA-N 1 0 511.582 2.958 1 0 KFAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCCCNC(=O)OCc1ccccc1 ZINC000028825100 561970333 /nfs/dbraw/zinc/97/03/33/561970333.db2.gz ADRLGDSTSUIHQI-HSZRJFAPSA-N 1 0 523.638 2.881 1 0 KFAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCC1 ZINC000028825173 561970482 /nfs/dbraw/zinc/97/04/82/561970482.db2.gz DNBZJTODOYTAQZ-DEOSSOPVSA-N 1 0 566.724 2.780 1 0 KFAFRO CC[C@@H]1CCC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N1S(=O)(=O)c1ccc(F)cc1 ZINC000028827256 561971589 /nfs/dbraw/zinc/97/15/89/561971589.db2.gz WMZBTZZLGWZIBX-CUDBPUKSSA-N 1 0 509.644 2.958 1 0 KFAFRO C[NH+](C)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c4cccnc4[nH]c3=O)CC2)C1=O ZINC000028827338 561971724 /nfs/dbraw/zinc/97/17/24/561971724.db2.gz XCPUDTSCFHHBHP-XMSQKQJNSA-N 1 0 555.630 2.686 1 0 KFAFRO C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccncc1)C2 ZINC000028863564 561972393 /nfs/dbraw/zinc/97/23/93/561972393.db2.gz BFRSBFHMHSAISB-UHFFFAOYSA-N 1 0 546.622 2.859 1 0 KFAFRO C[N@@H+](CCc1ccccn1)CCn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000028864127 561972605 /nfs/dbraw/zinc/97/26/05/561972605.db2.gz JDBWDMBFMDPAKH-UHFFFAOYSA-N 1 0 623.726 2.868 1 0 KFAFRO COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000028864253 561973117 /nfs/dbraw/zinc/97/31/17/561973117.db2.gz WDFWPNPZCNPPJR-UHFFFAOYSA-N 1 0 629.722 2.715 1 0 KFAFRO CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCN4CCOCC4)c(C(C)C)s3)n(C)c2)n(C)c1 ZINC000028864277 561973102 /nfs/dbraw/zinc/97/31/02/561973102.db2.gz MYNXYHHAOVTIJV-UHFFFAOYSA-N 1 0 583.719 2.919 1 0 KFAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000028865012 561973375 /nfs/dbraw/zinc/97/33/75/561973375.db2.gz XEGINLDCVLRGAF-KUSJRIKGSA-N 1 0 698.865 2.661 1 0 KFAFRO CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC4CC[NH+](C5CCC5)CC4)cc3)C(=O)C2)cc1 ZINC000028870369 561974034 /nfs/dbraw/zinc/97/40/34/561974034.db2.gz MCEBFWQJWLRLJX-UHFFFAOYSA-N 1 0 511.644 2.975 1 0 KFAFRO C[NH+](C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)[C@H]4CC(=O)[C@]2(O)c2cccc4ccncc42)C=C3[C@@H](O)[C@@H]1O ZINC000028872516 561974369 /nfs/dbraw/zinc/97/43/69/561974369.db2.gz YXRVWYSVKABFEC-OMXDIREYSA-N 1 0 502.611 2.632 1 0 KFAFRO C[NH+](C)CCNC(=O)O[C@@H]1CCCN(c2nc3cc(C(=O)Nc4nc(C(C)(C)C)cs4)ccn3c(=O)c2C=Cc2nn[nH]n2)C1 ZINC000028874147 561975048 /nfs/dbraw/zinc/97/50/48/561975048.db2.gz GVFCBWCKVSHKFN-CSHXORCISA-N 1 0 635.755 2.641 1 0 KFAFRO CC(C)([NH3+])C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)NCCO)cc2)C1=O ZINC000028876742 561975811 /nfs/dbraw/zinc/97/58/11/561975811.db2.gz XKJWHNJINCICAQ-AREMUKBSSA-N 1 0 543.668 2.847 1 0 KFAFRO [NH3+]C[C@@H](O)CNC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)CCCN1c2ccccc2SCCC1=O ZINC000028876759 561975779 /nfs/dbraw/zinc/97/57/79/561975779.db2.gz VRURADURSALSSU-ISKFKSNPSA-N 1 0 534.682 2.612 1 0 KFAFRO [NH3+]C[C@H](O)CNC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)CCCN1c2ccccc2SCCC1=O ZINC000028876764 561975788 /nfs/dbraw/zinc/97/57/88/561975788.db2.gz VRURADURSALSSU-LADGPHEKSA-N 1 0 534.682 2.612 1 0 KFAFRO CCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)cc1)C(C)C ZINC000028895968 561979120 /nfs/dbraw/zinc/97/91/20/561979120.db2.gz ZGVWWJKTUFBWRB-DTXPUJKBSA-N 1 0 664.852 2.571 1 0 KFAFRO CC(C)[C@H](NC(=O)c1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896037 561979159 /nfs/dbraw/zinc/97/91/59/561979159.db2.gz PAJWFDJHSXYKJV-DQEYMECFSA-N 1 0 514.630 2.790 1 0 KFAFRO CC(C)[C@H](NC(=O)c1ccc(CCNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896064 561979160 /nfs/dbraw/zinc/97/91/60/561979160.db2.gz NXTVKLBQGKVUEH-SVBPBHIXSA-N 1 0 542.684 2.510 1 0 KFAFRO [NH3+][C@@H]1CN(c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)ncn2)C[C@@H]1c1cc(F)c(F)cc1F ZINC000028899859 561979616 /nfs/dbraw/zinc/97/96/16/561979616.db2.gz SDCAYDSIXAYUNR-XMSQKQJNSA-N 1 0 519.549 2.513 1 0 KFAFRO CC(C)C[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)C[C@@H]2CCCC[C@@H]21 ZINC000028903321 561980193 /nfs/dbraw/zinc/98/01/93/561980193.db2.gz JXBAFPJRXHECOM-IEAFHPEVSA-N 1 0 561.727 2.881 1 0 KFAFRO CC[C@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)C[C@@H]2CCCC[C@@H]21 ZINC000028903377 561980294 /nfs/dbraw/zinc/98/02/94/561980294.db2.gz ZHTYBHJRYWPRIG-HPKJDOSXSA-N 1 0 561.727 2.881 1 0 KFAFRO COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)C[N@H+](C)[C@@H]1C2 ZINC000028949892 561981160 /nfs/dbraw/zinc/98/11/60/561981160.db2.gz GBBWPPZDGCIUKR-PMAPCBKXSA-N 1 0 520.659 2.681 1 0 KFAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028949897 561981067 /nfs/dbraw/zinc/98/10/67/561981067.db2.gz YDGSHFJUSTYFRE-IZZNHLLZSA-N 1 0 557.755 2.860 1 0 KFAFRO C[N@@H+]1CCN[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 561981112 /nfs/dbraw/zinc/98/11/12/561981112.db2.gz JIITXTWOEYNJJB-AYRHNUGRSA-N 1 0 555.739 2.636 1 0 KFAFRO C[N@@H+]1CCN[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 561981133 /nfs/dbraw/zinc/98/11/33/561981133.db2.gz JIITXTWOEYNJJB-DMTNHVFBSA-N 1 0 555.739 2.636 1 0 KFAFRO CC(C)(CO)[NH+]1CCN(C(=O)CC2([C@H]3C[C@@H](O)C[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028950688 561981469 /nfs/dbraw/zinc/98/14/69/561981469.db2.gz FVMSLFYQMWOIFN-OEMFJLHTSA-N 1 0 554.153 2.718 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 ZINC000028952361 561981803 /nfs/dbraw/zinc/98/18/03/561981803.db2.gz BBDNWXOVFUSDDU-NRFANRHFSA-N 1 0 504.553 2.995 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 ZINC000028952365 561981798 /nfs/dbraw/zinc/98/17/98/561981798.db2.gz LIWQUWGNWHRXDR-QFIPXVFZSA-N 1 0 504.553 2.995 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 ZINC000028952378 561981938 /nfs/dbraw/zinc/98/19/38/561981938.db2.gz GZJMMFZYCCQPPI-QFIPXVFZSA-N 1 0 504.553 2.853 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 ZINC000028952381 561982003 /nfs/dbraw/zinc/98/20/03/561982003.db2.gz WYPXVEYGMYKMPK-QFIPXVFZSA-N 1 0 504.553 2.949 1 0 KFAFRO COc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 ZINC000028952400 561981949 /nfs/dbraw/zinc/98/19/49/561981949.db2.gz MZOVYGGMQJARQJ-FQEVSTJZSA-N 1 0 508.541 2.633 1 0 KFAFRO COc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952408 561981969 /nfs/dbraw/zinc/98/19/69/561981969.db2.gz JRQLJCVOBYNBHW-NRFANRHFSA-N 1 0 522.568 2.942 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N ZINC000028952420 561981987 /nfs/dbraw/zinc/98/19/87/561981987.db2.gz VKEIRGOCEUAYTA-FQEVSTJZSA-N 1 0 507.557 2.515 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952437 561981902 /nfs/dbraw/zinc/98/19/02/561981902.db2.gz JJYNUAMIRAIFBQ-NRFANRHFSA-N 1 0 521.584 2.824 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952439 561981911 /nfs/dbraw/zinc/98/19/11/561981911.db2.gz ZEYAHFUIXMLOML-NRFANRHFSA-N 1 0 521.584 2.824 1 0 KFAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952442 561982087 /nfs/dbraw/zinc/98/20/87/561982087.db2.gz WWXHPAOSNLSCAI-NRFANRHFSA-N 1 0 537.583 2.703 1 0 KFAFRO CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(=O)CCC[NH3+])c1)c(OC(C)=O)c2=O ZINC000028966507 561985176 /nfs/dbraw/zinc/98/51/76/561985176.db2.gz GUCLZJOBFXZPQJ-UHFFFAOYSA-N 1 0 555.492 2.806 1 0 KFAFRO CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC000028968611 561985671 /nfs/dbraw/zinc/98/56/71/561985671.db2.gz FPOKQPOBOUXHML-IZZNHLLZSA-N 1 0 519.708 2.715 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cnn(CC)c2)cc(N2CCCC2=O)c1 ZINC000028978605 561987837 /nfs/dbraw/zinc/98/78/37/561987837.db2.gz VQBBFJFTEHVVJZ-RRPNLBNLSA-N 1 0 518.662 2.953 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cnn(CC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039614 561990115 /nfs/dbraw/zinc/99/01/15/561990115.db2.gz FRCSXRRNAXDKOX-WUFINQPMSA-N 1 0 568.744 2.757 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](C(C)C)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039626 561990101 /nfs/dbraw/zinc/99/01/01/561990101.db2.gz UKODUGCKKRMPDF-FTJBHMTQSA-N 1 0 532.707 2.962 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cnn(CC)c2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000029039635 561990127 /nfs/dbraw/zinc/99/01/27/561990127.db2.gz KNUSIDUILOGCPF-AHKZPQOWSA-N 1 0 586.734 2.896 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000029039819 561990231 /nfs/dbraw/zinc/99/02/31/561990231.db2.gz XQWLHPWPDQSALN-HWFRFQLBSA-N 1 0 649.792 2.963 1 0 in-vivo KFAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CC)[C@@H](C)[C@@H](O)Cc2ccc(F)cc2)cc(-c2nnnn2C)c1 ZINC000029039870 561990206 /nfs/dbraw/zinc/99/02/06/561990206.db2.gz JYQOPMMBCFIFTN-GXZJQHSTSA-N 1 0 527.645 2.764 1 0 KFAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CC)[C@@H](C)[C@H](O)Cc2ccc(F)cc2)cc(-c2nnnn2C)c1 ZINC000029039892 561990235 /nfs/dbraw/zinc/99/02/35/561990235.db2.gz JYQOPMMBCFIFTN-JIROWCAOSA-N 1 0 527.645 2.764 1 0 KFAFRO [NH3+][C@@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C[C@H]1O ZINC000029040639 561990767 /nfs/dbraw/zinc/99/07/67/561990767.db2.gz DRUPVGBBYMYKJN-FGZHOGPDSA-N 1 0 551.554 2.585 1 0 KFAFRO COc1cc2c(cc1OC)CN(c1cc(N3CCCN(C(=O)N4C[C@@H](O)[C@@H](O)C4)CC3)[nH+]c3cc(OC)c(OC)cc31)CC2 ZINC000029042114 561991333 /nfs/dbraw/zinc/99/13/33/561991333.db2.gz OCXGVINRBZRHMP-WMPKNSHKSA-N 1 0 607.708 2.501 1 0 KFAFRO COc1cc(CC(=O)N(C)[C@H](C[NH+]2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC ZINC000029042942 561991787 /nfs/dbraw/zinc/99/17/87/561991787.db2.gz NMAGBJWNYCHJFX-HSZRJFAPSA-N 1 0 531.675 2.563 1 0 KFAFRO C[NH+]1CCN(c2ccc(NC=C3c4cc(NS(=O)(=O)c5ccccc5)ccc4C(=O)NC3=O)cc2)CC1 ZINC000029048466 561993526 /nfs/dbraw/zinc/99/35/26/561993526.db2.gz GPUTVOBHOOELAM-BWAHOGKJSA-N 1 0 517.611 2.962 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1 ZINC000029048497 561993592 /nfs/dbraw/zinc/99/35/92/561993592.db2.gz VNUBIZBPCBGZAL-HZFUHODCSA-N 1 0 569.628 2.942 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1 ZINC000029048502 561993515 /nfs/dbraw/zinc/99/35/15/561993515.db2.gz WUINFQUMQLJWPY-HZFUHODCSA-N 1 0 551.638 2.803 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3F)C(=O)N2)c1 ZINC000029048592 561993519 /nfs/dbraw/zinc/99/35/19/561993519.db2.gz HJICKJJRWRRYHT-HZFUHODCSA-N 1 0 551.638 2.803 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)c(F)c3)C(=O)N2)c1 ZINC000029048670 561993736 /nfs/dbraw/zinc/99/37/36/561993736.db2.gz MDQXGGYWQXEUEB-HZFUHODCSA-N 1 0 551.638 2.803 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccc(F)cc3)C(=O)N2)c1 ZINC000029048672 561993754 /nfs/dbraw/zinc/99/37/54/561993754.db2.gz ZPUOCRDDGKPTED-HZFUHODCSA-N 1 0 533.648 2.664 1 0 KFAFRO COc1cc(CN2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]Cc3cccc(N(C)C)c3)NC2=O)cc(OC)c1 ZINC000029048791 561993720 /nfs/dbraw/zinc/99/37/20/561993720.db2.gz KBLFYWPNKJNKAP-OIFRRMEBSA-N 1 0 575.710 2.542 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(c3ccccc3)C(=O)N2)c1 ZINC000029048906 561993804 /nfs/dbraw/zinc/99/38/04/561993804.db2.gz DNXMSQGUVHRDBH-GMQQYTKMSA-N 1 0 501.631 2.529 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@]2(C)CN(Cc3ccccc3)C(=O)N2)c1 ZINC000029049224 561994006 /nfs/dbraw/zinc/99/40/06/561994006.db2.gz UMWDHBILBQOORP-QXIHQKPUSA-N 1 0 529.685 2.915 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCc3ccccc3)C(=O)N2)c1 ZINC000029049353 561993991 /nfs/dbraw/zinc/99/39/91/561993991.db2.gz DOQOXQHNFYQTQF-YTCPBCGMSA-N 1 0 529.685 2.567 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 ZINC000029049676 561993978 /nfs/dbraw/zinc/99/39/78/561993978.db2.gz XJUSYKPBTXPUAH-HZFUHODCSA-N 1 0 515.658 2.525 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](Cc3ccccc3)C(=O)N2)c1 ZINC000029049684 561993996 /nfs/dbraw/zinc/99/39/96/561993996.db2.gz OTNMGMYZDOOFEQ-FFIOMTCJSA-N 1 0 514.670 2.678 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](Cc3ccccc3)C(=O)N2)c1 ZINC000029049691 561994104 /nfs/dbraw/zinc/99/41/04/561994104.db2.gz OTNMGMYZDOOFEQ-RDPOUHODSA-N 1 0 514.670 2.678 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000029049837 561994146 /nfs/dbraw/zinc/99/41/46/561994146.db2.gz PRPCMUHQFAGMHJ-PIZZNKLWSA-N 1 0 514.670 2.979 1 0 KFAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)N2)c1 ZINC000029050211 561994115 /nfs/dbraw/zinc/99/41/15/561994115.db2.gz PJNQEXSGZMHMGP-HZFUHODCSA-N 1 0 551.638 2.803 1 0 KFAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]Cc2nccs2)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124928 561997074 /nfs/dbraw/zinc/99/70/74/561997074.db2.gz ALMCTJZFCSRFGN-KZRVWOTPSA-N 1 0 548.629 2.935 1 0 KFAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]C/C(C)=C/C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029124930 561997042 /nfs/dbraw/zinc/99/70/42/561997042.db2.gz ROJCSZRDSKOFKR-BJJMCZHYSA-N 1 0 577.642 2.788 1 0 KFAFRO CN1CC[NH+](CCc2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)cc2)CC1 ZINC000029125465 561997627 /nfs/dbraw/zinc/99/76/27/561997627.db2.gz KLHJDCUHOKZNOP-UHFFFAOYSA-N 1 0 523.641 2.902 1 0 KFAFRO C[NH+]1CCN(Cc2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)cc2)CC1 ZINC000029125466 561997590 /nfs/dbraw/zinc/99/75/90/561997590.db2.gz IWPVUHHCWGVPNJ-UHFFFAOYSA-N 1 0 509.614 2.859 1 0 KFAFRO C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)c(O)c2)CC1 ZINC000029125512 561997735 /nfs/dbraw/zinc/99/77/35/561997735.db2.gz BWFZLXWRZDSPHK-UHFFFAOYSA-N 1 0 511.586 2.569 1 0 KFAFRO CC(C)[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125605 561997809 /nfs/dbraw/zinc/99/78/09/561997809.db2.gz BBXNADSNXWLQTQ-IRXDYDNUSA-N 1 0 542.493 2.905 1 0 KFAFRO CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C[NH+]2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000029125912 561998205 /nfs/dbraw/zinc/99/82/05/561998205.db2.gz GUVQMRKAJHNWAX-DEOSSOPVSA-N 1 0 575.732 2.968 1 0 KFAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCC[NH+](C(C)C)C(C)C)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029126958 561999147 /nfs/dbraw/zinc/99/91/47/561999147.db2.gz JZTVQVQEFVILIO-XYIJYTLJSA-N 1 0 687.846 2.744 1 0 KFAFRO CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCCO3 ZINC000029127024 561999428 /nfs/dbraw/zinc/99/94/28/561999428.db2.gz COUAMWLLLGIQNM-GDLZYMKVSA-N 1 0 512.542 2.577 1 0 KFAFRO CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCCO3 ZINC000029127025 561999430 /nfs/dbraw/zinc/99/94/30/561999430.db2.gz COUAMWLLLGIQNM-LJAQVGFWSA-N 1 0 512.542 2.577 1 0 KFAFRO CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc3c(c1c2C[n+]1ccccc1)OCCO3 ZINC000029127538 561999935 /nfs/dbraw/zinc/99/99/35/561999935.db2.gz JPBGQSMFWJINGT-GDLZYMKVSA-N 1 0 512.542 2.577 1 0 KFAFRO CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc3c(c1c2C[n+]1ccccc1)OCCO3 ZINC000029127539 561999902 /nfs/dbraw/zinc/99/99/02/561999902.db2.gz JPBGQSMFWJINGT-LJAQVGFWSA-N 1 0 512.542 2.577 1 0 KFAFRO COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029127597 562000104 /nfs/dbraw/zinc/00/01/04/562000104.db2.gz MLTMAABMXBCIEM-YNOBPPCASA-N 1 0 550.700 2.951 1 0 KFAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)NC1CCCCC1 ZINC000029127647 562000097 /nfs/dbraw/zinc/00/00/97/562000097.db2.gz NUXXROATVMQIKI-NJTBCWBZSA-N 1 0 520.674 2.942 1 0 KFAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000029128513 562000991 /nfs/dbraw/zinc/00/09/91/562000991.db2.gz CPPXTZVZIDUKJO-FXSWLTOZSA-N 1 0 517.617 2.960 1 0 KFAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2nccs2)C1 ZINC000029129273 562001789 /nfs/dbraw/zinc/00/17/89/562001789.db2.gz MHYMQEOZSXVCAM-JGYHPKCFSA-N 1 0 570.662 2.806 1 0 KFAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000029129353 562001837 /nfs/dbraw/zinc/00/18/37/562001837.db2.gz YFSSMGIKETYJOY-CUCBPSOYSA-N 1 0 553.606 2.942 1 0 KFAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2cccnc2)C1 ZINC000029129359 562001817 /nfs/dbraw/zinc/00/18/17/562001817.db2.gz IMKXYXBHFRRSCC-PWOSISDISA-N 1 0 564.633 2.744 1 0 KFAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000029129441 562001911 /nfs/dbraw/zinc/00/19/11/562001911.db2.gz GLGMFTLBJXUZQC-DBXUVXQGSA-N 1 0 564.633 2.744 1 0 KFAFRO CCCOCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129680 562002047 /nfs/dbraw/zinc/00/20/47/562002047.db2.gz GECHFZJHIDABEZ-NAWJDLSISA-N 1 0 559.654 2.575 1 0 KFAFRO CCOCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129769 562002059 /nfs/dbraw/zinc/00/20/59/562002059.db2.gz HMAQOZURTYPAJX-NAWJDLSISA-N 1 0 559.654 2.575 1 0 KFAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(CC2CC2)C1 ZINC000029129857 562002128 /nfs/dbraw/zinc/00/21/28/562002128.db2.gz AVZGOZFFWXGHQU-SZWLPIDJSA-N 1 0 527.612 2.559 1 0 KFAFRO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129950 562002143 /nfs/dbraw/zinc/00/21/43/562002143.db2.gz MWFQJCIZICLSIJ-SZWLPIDJSA-N 1 0 529.628 2.949 1 0 KFAFRO CC(C)N1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029130014 562002289 /nfs/dbraw/zinc/00/22/89/562002289.db2.gz CANJJDJMKOMPRM-XXKHLWARSA-N 1 0 515.601 2.557 1 0 KFAFRO CCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029130025 562002238 /nfs/dbraw/zinc/00/22/38/562002238.db2.gz WDMHJLIMBHMWJK-XXKHLWARSA-N 1 0 515.601 2.559 1 0 KFAFRO 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562020678 /nfs/dbraw/zinc/02/06/78/562020678.db2.gz MPIXUWQVGVPHNZ-NCYFDYJISA-N 1 0 526.586 2.567 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCN3CCOCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407011 562020824 /nfs/dbraw/zinc/02/08/24/562020824.db2.gz AGWODWDVDYETIF-HIYJGCFHSA-N 1 0 554.640 2.811 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCN3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029407014 562020819 /nfs/dbraw/zinc/02/08/19/562020819.db2.gz AGWODWDVDYETIF-PFFNZIMVSA-N 1 0 554.640 2.811 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)(C)C ZINC000029416860 562023019 /nfs/dbraw/zinc/02/30/19/562023019.db2.gz MCANFYCTILPEOD-OFOQQJIRSA-N 1 0 557.732 2.568 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccccc1 ZINC000029463104 562023458 /nfs/dbraw/zinc/02/34/58/562023458.db2.gz DIUNTAZOKGKMLJ-ATAZIPLOSA-N 1 0 577.722 2.895 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccccc1 ZINC000029467081 562024600 /nfs/dbraw/zinc/02/46/00/562024600.db2.gz DIUNTAZOKGKMLJ-NODASKEBSA-N 1 0 577.722 2.895 1 0 KFAFRO CCOC(=O)[C@@]1(Cc2ccccn2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000029468083 562024922 /nfs/dbraw/zinc/02/49/22/562024922.db2.gz KLILUHNBPOCFMJ-FUFSCUOVSA-N 1 0 519.646 2.742 1 0 KFAFRO CC(C)(CC(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1)[NH2+]C[C@H](O)CO ZINC000029468184 562024940 /nfs/dbraw/zinc/02/49/40/562024940.db2.gz BJEHAKZNHQBDOC-AHKZPQOWSA-N 1 0 521.702 2.722 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)C(C)(C)C ZINC000029468194 562024975 /nfs/dbraw/zinc/02/49/75/562024975.db2.gz QRYXFTOKZCERLS-YPGOOEOSSA-N 1 0 571.759 2.958 1 0 KFAFRO CCOC(=O)[C@]1(Cc2ccccn2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000029468848 562025097 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ZNHNHNIBHJBVLZ-AMGIVPHBSA-N 1 0 525.675 2.804 1 0 KFAFRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029479553 562027012 /nfs/dbraw/zinc/02/70/12/562027012.db2.gz UBOWVIDEZHTTEX-HFMPRLQTSA-O 1 0 586.046 2.646 1 0 KFAFRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029479556 562026991 /nfs/dbraw/zinc/02/69/91/562026991.db2.gz UBOWVIDEZHTTEX-DPLHUUCSSA-O 1 0 586.046 2.646 1 0 KFAFRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029479559 562026995 /nfs/dbraw/zinc/02/69/95/562026995.db2.gz UBOWVIDEZHTTEX-AWRGLXIESA-O 1 0 586.046 2.646 1 0 KFAFRO Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029479562 562027008 /nfs/dbraw/zinc/02/70/08/562027008.db2.gz UBOWVIDEZHTTEX-ZFGGDYGUSA-O 1 0 586.046 2.646 1 0 KFAFRO CCOCOCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[NH2+]C(C)C ZINC000029482381 562027696 /nfs/dbraw/zinc/02/76/96/562027696.db2.gz ULVAEGDSHKWBSE-NDEPHWFRSA-N 1 0 507.587 2.611 1 0 KFAFRO CCOCOCC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[NH2+]C(C)C ZINC000029482384 562027693 /nfs/dbraw/zinc/02/76/93/562027693.db2.gz ULVAEGDSHKWBSE-MUUNZHRXSA-N 1 0 507.587 2.611 1 0 KFAFRO O=C(/C=C/C(=O)OCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029547451 562030184 /nfs/dbraw/zinc/03/01/84/562030184.db2.gz WFRPWLIRGBQZAG-WITQTYKASA-N 1 0 530.621 2.741 1 0 KFAFRO O=C(/C=C/C(=O)OCCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029552862 562031423 /nfs/dbraw/zinc/03/14/23/562031423.db2.gz YXAONQKRSJKQIS-PIVHFSSYSA-N 1 0 544.648 2.783 1 0 KFAFRO Cc1nc(-c2ccc(C(=[NH2+])NO)cc2)sc1C(=O)N[C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029553523 562031598 /nfs/dbraw/zinc/03/15/98/562031598.db2.gz WDNRNJGUCHPLPO-JBEBIEQOSA-N 1 0 527.557 2.999 1 0 KFAFRO CCC(=O)N1CC[NH+](CCCc2c(/C=C3\C(=O)Nc4ccc(S(=O)(=O)NC)cc43)[nH]c3c2CCCC3)CC1 ZINC000029557872 562032432 /nfs/dbraw/zinc/03/24/32/562032432.db2.gz NBRRKDWLZYNOGL-NKFKGCMQSA-N 1 0 539.702 2.781 1 0 KFAFRO CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c(=O)c5ccccc5nc43)[C@H]2N1C(=O)[C@H]([NH3+])CCCC[NH3+] ZINC000029560843 562033068 /nfs/dbraw/zinc/03/30/68/562033068.db2.gz PLOUAFAVOOXTQH-XYQVXREYSA-N 1 0 663.779 2.834 1 0 KFAFRO CCC(=O)OCOC(=O)C1(C(=O)OCOC(=O)CC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029562777 562033514 /nfs/dbraw/zinc/03/35/14/562033514.db2.gz ABFIWAMOBCHLML-UTKZUKDTSA-N 1 0 594.013 2.970 1 0 KFAFRO CCOCCN(CCOCC)[C@H](C[NH+](CCOCC)CCOCC)C(=O)Oc1c(OC)cccc1OC ZINC000029567375 562034692 /nfs/dbraw/zinc/03/46/92/562034692.db2.gz ZDTSNPXFJGMDFZ-HSZRJFAPSA-N 1 0 528.687 2.728 1 0 KFAFRO CCOCCN(CCOCC)[C@@H](C[NH+](CCOCC)CCOCC)C(=O)Oc1c(OC)cccc1OC ZINC000029567378 562034673 /nfs/dbraw/zinc/03/46/73/562034673.db2.gz ZDTSNPXFJGMDFZ-QHCPKHFHSA-N 1 0 528.687 2.728 1 0 KFAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCCN3CCCC3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000031851257 562036483 /nfs/dbraw/zinc/03/64/83/562036483.db2.gz IIBZXEMUIIKKNS-YCYYUTJKSA-N 1 0 524.570 2.716 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CC[NH+](C)C)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1O ZINC000033974783 562038029 /nfs/dbraw/zinc/03/80/29/562038029.db2.gz DNHLMQGHGYFHGM-FLNQWHAFSA-N 1 0 528.558 2.744 1 0 KFAFRO NS(=O)(=O)c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)c1 ZINC000033991189 562037998 /nfs/dbraw/zinc/03/79/98/562037998.db2.gz MTLUJYLGPUXELO-VWLOTQADSA-N 1 0 507.653 2.831 1 0 KFAFRO O=c1ccn(-c2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 ZINC000034016347 562038076 /nfs/dbraw/zinc/03/80/76/562038076.db2.gz DWUKMTAUBDSZSA-MHZLTWQESA-N 1 0 525.646 2.947 1 0 KFAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5cnccn5)c4=O)CC3)CC2)ccn1 ZINC000034178119 562038301 /nfs/dbraw/zinc/03/83/01/562038301.db2.gz ZEYMAJZOUSDWDE-UHFFFAOYSA-N 1 0 530.608 2.774 1 0 KFAFRO COc1cc2c(cc1OCCC[NH2+]CCO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034272676 562038508 /nfs/dbraw/zinc/03/85/08/562038508.db2.gz KSAUSYLGKMZHPT-UHFFFAOYSA-N 1 0 509.542 2.776 1 0 KFAFRO CSc1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000034314520 562038698 /nfs/dbraw/zinc/03/86/98/562038698.db2.gz HNYWXTUFPHFELD-LEWJYISDSA-N 1 0 509.598 2.718 1 0 KFAFRO Cc1cc(C(N)=[NH2+])ccc1CNC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21 ZINC000034689144 562039488 /nfs/dbraw/zinc/03/94/88/562039488.db2.gz VHSKOSCNPJVNRF-UIOOFZCWSA-N 1 0 559.692 2.690 1 0 KFAFRO NC(=[NH2+])c1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21 ZINC000034689157 562039676 /nfs/dbraw/zinc/03/96/76/562039676.db2.gz YHXWUDONUMFBDD-OIKPOIBNSA-N 1 0 571.703 2.869 1 0 KFAFRO COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801575 562041192 /nfs/dbraw/zinc/04/11/92/562041192.db2.gz LDRZYITZMHAKQN-QFIPXVFZSA-N 1 0 515.588 2.943 1 0 KFAFRO COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801580 562041205 /nfs/dbraw/zinc/04/12/05/562041205.db2.gz XBRQEMWJALNPLR-VWLOTQADSA-N 1 0 572.684 2.923 1 0 KFAFRO CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801581 562041261 /nfs/dbraw/zinc/04/12/61/562041261.db2.gz LLFHVTCZWFRZNR-QFIPXVFZSA-N 1 0 514.604 2.516 1 0 KFAFRO COc1cc2c(cc1OCCCN1CC[NH+](CCO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2F)[nH]n1 ZINC000034802978 562042331 /nfs/dbraw/zinc/04/23/31/562042331.db2.gz LQQZIJDSGYXEEJ-UHFFFAOYSA-N 1 0 596.639 2.943 1 0 KFAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000034803998 562042810 /nfs/dbraw/zinc/04/28/10/562042810.db2.gz VYBUDYVARMKISV-VWLOTQADSA-N 1 0 562.671 2.953 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4cccnc43)CC2)C1 ZINC000034804816 562043296 /nfs/dbraw/zinc/04/32/96/562043296.db2.gz ANFWDRBSMJXUMQ-JOCHJYFZSA-N 1 0 634.681 2.533 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4cccnc43)CC2)C1 ZINC000034804820 562043506 /nfs/dbraw/zinc/04/35/06/562043506.db2.gz ANFWDRBSMJXUMQ-QFIPXVFZSA-N 1 0 634.681 2.533 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804825 562043498 /nfs/dbraw/zinc/04/34/98/562043498.db2.gz BPDCKDZNPOCBFW-HSZRJFAPSA-N 1 0 644.592 2.881 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804830 562043480 /nfs/dbraw/zinc/04/34/80/562043480.db2.gz BPDCKDZNPOCBFW-QHCPKHFHSA-N 1 0 644.592 2.881 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3c4ccc(Cl)cc4CNS3(=O)=O)CC2)C1 ZINC000034804947 562043655 /nfs/dbraw/zinc/04/36/55/562043655.db2.gz CWFWXRMDPPNMFG-XMMPIXPASA-N 1 0 714.108 2.964 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3c4ccc(Cl)cc4CNS3(=O)=O)CC2)C1 ZINC000034804952 562043625 /nfs/dbraw/zinc/04/36/25/562043625.db2.gz CWFWXRMDPPNMFG-DEOSSOPVSA-N 1 0 714.108 2.964 1 0 KFAFRO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C3C[NH2+]C3)CC2)c2ccccc12 ZINC000035242584 562044851 /nfs/dbraw/zinc/04/48/51/562044851.db2.gz LQLWJFXSTXSXHY-UHFFFAOYSA-N 1 0 506.628 2.889 1 0 KFAFRO O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270087 562044956 /nfs/dbraw/zinc/04/49/56/562044956.db2.gz IQVGYCFOQODFLE-HSZRJFAPSA-N 1 0 511.586 2.788 1 0 KFAFRO Cc1ccc(S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000035873635 562045510 /nfs/dbraw/zinc/04/55/10/562045510.db2.gz JBWKACZNLRSQMB-TWJOJJKGSA-N 1 0 500.661 2.670 1 0 KFAFRO COc1cc(F)c2ncc(F)c(CC[N@@H+]3C[C@@H](O)[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2c1 ZINC000035923260 562045751 /nfs/dbraw/zinc/04/57/51/562045751.db2.gz WYKDVOJJSOHWCG-LHSJRXKWSA-N 1 0 515.586 2.586 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)Nc2ccccc2)C1=O ZINC000035975477 562045992 /nfs/dbraw/zinc/04/59/92/562045992.db2.gz JYNUREYKNAJNLW-UIOOFZCWSA-N 1 0 500.599 2.587 1 0 in-vivo KFAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1 ZINC000036124600 562047508 /nfs/dbraw/zinc/04/75/08/562047508.db2.gz NUYOEBHSJRCFOD-URYJJRPLSA-N 1 0 568.715 2.833 1 0 KFAFRO CCOC(=O)[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC(=O)N1Cc1ccc(C(=[NH2+])N(C)C)cc1 ZINC000036126799 562047782 /nfs/dbraw/zinc/04/77/82/562047782.db2.gz HKENEGKJJJBUHP-OAQYLSRUSA-N 1 0 546.049 2.673 1 0 KFAFRO NC(=O)CNC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(C(N)=[NH2+])cc21 ZINC000036140702 562047987 /nfs/dbraw/zinc/04/79/87/562047987.db2.gz SRNISDFDJIOHDQ-SYYKKAFVSA-N 1 0 505.644 2.788 1 0 KFAFRO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000036143458 562048082 /nfs/dbraw/zinc/04/80/82/562048082.db2.gz FHLOKXXBGIMGEG-SFHVURJKSA-N 1 0 533.522 2.708 1 0 KFAFRO CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(C(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000036143462 562048127 /nfs/dbraw/zinc/04/81/27/562048127.db2.gz FHLOKXXBGIMGEG-GOSISDBHSA-N 1 0 533.522 2.708 1 0 KFAFRO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000036160704 562048708 /nfs/dbraw/zinc/04/87/08/562048708.db2.gz OWUJFYWLMKKBMY-MAARLIENSA-N 1 0 524.706 2.933 1 0 KFAFRO CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@H](C[NH+]2CCC(c3cc(-c4ccncc4)c(-c4ccc(F)cc4)[nH]3)CC2)C1 ZINC000036161148 562048628 /nfs/dbraw/zinc/04/86/28/562048628.db2.gz GUVQMRKAJHNWAX-XMMPIXPASA-N 1 0 575.732 2.968 1 0 KFAFRO COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000036184872 562050488 /nfs/dbraw/zinc/05/04/88/562050488.db2.gz AAFLHABTMIJIEE-UHFFFAOYSA-N 1 0 517.677 2.806 1 0 KFAFRO CN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 ZINC000036190449 562051146 /nfs/dbraw/zinc/05/11/46/562051146.db2.gz QPCPYQIVVUXWAO-UHFFFAOYSA-N 1 0 521.643 2.517 1 0 KFAFRO O=C(/C=C/C(=O)OCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5 ZINC000036215774 562051150 /nfs/dbraw/zinc/05/11/50/562051150.db2.gz WFRPWLIRGBQZAG-WRVQEIQWSA-N 1 0 530.621 2.741 1 0 KFAFRO O=C(/C=C/C(=O)OCCc1ccccc1)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@@H]1O5 ZINC000036215780 562051116 /nfs/dbraw/zinc/05/11/16/562051116.db2.gz YXAONQKRSJKQIS-NJYPNVLNSA-N 1 0 544.648 2.783 1 0 KFAFRO NS(=O)(=O)c1ccc(C[C@H]([NH3+])C(=O)N2Cc3ccccc3C[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000036216156 562051291 /nfs/dbraw/zinc/05/12/91/562051291.db2.gz XWMBOIHOSOSNTR-ZCYQVOJMSA-N 1 0 501.612 2.920 1 0 KFAFRO CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)NCc1ccccc1 ZINC000036216250 562051305 /nfs/dbraw/zinc/05/13/05/562051305.db2.gz FSIMYSAKEXUAHH-ZDCRTTOTSA-N 1 0 627.786 2.940 1 0 in-vivo KFAFRO COc1ccccc1N1CC[NH+](CCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 ZINC000036248189 562052332 /nfs/dbraw/zinc/05/23/32/562052332.db2.gz MSXFMUNHKYUABW-FJKIDYPQSA-N 1 0 508.663 2.667 1 0 KFAFRO C[N@@H+]1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000036269901 562053009 /nfs/dbraw/zinc/05/30/09/562053009.db2.gz YDGSHFJUSTYFRE-FTJBHMTQSA-N 1 0 557.755 2.860 1 0 KFAFRO Nc1nc(N2CC[N@@H+]3C[C@@H](CN(Cc4ccncc4)Cc4ccncc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000036273993 562053155 /nfs/dbraw/zinc/05/31/55/562053155.db2.gz JADPCYBCKXAUQF-RPWUZVMVSA-N 1 0 551.659 2.755 1 0 KFAFRO CC[NH+](CC)C[C@@H](C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284774 562053312 /nfs/dbraw/zinc/05/33/12/562053312.db2.gz XMIFFJHPERVCLO-MWVDVNALSA-N 1 0 540.152 2.956 1 0 KFAFRO CC[NH+](CC)C[C@H](C)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000036284778 562053474 /nfs/dbraw/zinc/05/34/74/562053474.db2.gz XMIFFJHPERVCLO-XDAJTCOGSA-N 1 0 540.152 2.956 1 0 KFAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccco2)CC1 ZINC000036284843 562053424 /nfs/dbraw/zinc/05/34/24/562053424.db2.gz NOTCJXSLXLGFJI-JOCHJYFZSA-N 1 0 573.481 2.636 1 0 KFAFRO COc1ccc(CC(=O)NCc2cccnc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)cc1 ZINC000036285091 562053743 /nfs/dbraw/zinc/05/37/43/562053743.db2.gz QXRYOEKGEZXLRD-HHHXNRCGSA-N 1 0 627.573 2.981 1 0 KFAFRO COc1ccccc1CC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285108 562053819 /nfs/dbraw/zinc/05/38/19/562053819.db2.gz BLYGDDVCJKBLAW-AREMUKBSSA-N 1 0 627.573 2.981 1 0 KFAFRO COC[C@H](C)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1 ZINC000036285136 562053786 /nfs/dbraw/zinc/05/37/86/562053786.db2.gz PAFDMNYNFIUKPB-GAJHUEQPSA-N 1 0 522.477 2.909 1 0 KFAFRO COC[C@@H](C)[NH2+]Cc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(C)=O)CC1 ZINC000036285139 562053813 /nfs/dbraw/zinc/05/38/13/562053813.db2.gz PAFDMNYNFIUKPB-UZUQRXQVSA-N 1 0 522.477 2.909 1 0 KFAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNCC(F)(F)F)CC1 ZINC000036285149 562053790 /nfs/dbraw/zinc/05/37/90/562053790.db2.gz GMHMYSNPIGWDDG-HXUWFJFHSA-N 1 0 561.436 2.765 1 0 KFAFRO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H]([NH3+])Cc2cncn2C)CC1 ZINC000036286088 562054641 /nfs/dbraw/zinc/05/46/41/562054641.db2.gz GULVVTHHUIIMRL-VSGBNLITSA-N 1 0 559.711 2.956 1 0 KFAFRO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC000036286091 562054647 /nfs/dbraw/zinc/05/46/47/562054647.db2.gz ZQZZWEILEDVQTR-KAYWLYCHSA-N 1 0 545.684 2.945 1 0 KFAFRO CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC000036286104 562054604 /nfs/dbraw/zinc/05/46/04/562054604.db2.gz ZQZZWEILEDVQTR-RRPNLBNLSA-N 1 0 545.684 2.945 1 0 KFAFRO [NH3+][C@H]1CN(c2cc(N3CCn4cc(C(F)(F)F)nc4C3)ncn2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F ZINC000036310931 562055022 /nfs/dbraw/zinc/05/50/22/562055022.db2.gz CFIDOJGSVPSBDH-WBMJQRKESA-N 1 0 511.430 2.977 1 0 KFAFRO [NH3+][C@@H]1CN(c2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)ncn2)C[C@H]1c1cc(F)c(F)cc1F ZINC000036310979 562055050 /nfs/dbraw/zinc/05/50/50/562055050.db2.gz SDCAYDSIXAYUNR-PGRDOPGGSA-N 1 0 519.549 2.513 1 0 KFAFRO CC[C@@H]([NH3+])CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O ZINC000036338619 562056990 /nfs/dbraw/zinc/05/69/90/562056990.db2.gz PPZJUUYYINLYQX-FDYIKDSRSA-N 1 0 638.854 2.868 1 0 KFAFRO CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(CC[NH3+])c3ccccc23)NC1=O ZINC000036338666 562057143 /nfs/dbraw/zinc/05/71/43/562057143.db2.gz PJNFGPBZRCJQFS-RGLBQOMHSA-N 1 0 636.838 2.967 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCC1)cc3N(C)S(=O)(=O)CC2 ZINC000036436662 562060692 /nfs/dbraw/zinc/06/06/92/562060692.db2.gz SQUWMGPNENGLQH-AZGAKELHSA-N 1 0 524.687 2.827 1 0 KFAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868456 562062488 /nfs/dbraw/zinc/06/24/88/562062488.db2.gz GPNWBOHQSHRZOO-HJOGWXRNSA-N 1 0 711.698 2.616 1 0 KFAFRO CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000038139284 562062611 /nfs/dbraw/zinc/06/26/11/562062611.db2.gz DEQITUUQPICUMR-GUWYERCUSA-N 1 0 611.743 2.717 1 0 in-vitro KFAFRO CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000038139285 562062567 /nfs/dbraw/zinc/06/25/67/562062567.db2.gz DEQITUUQPICUMR-DOZKUXSASA-N 1 0 611.743 2.717 1 0 in-vitro KFAFRO CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N2C1=O ZINC000038139286 562062578 /nfs/dbraw/zinc/06/25/78/562062578.db2.gz DEQITUUQPICUMR-KCHJDHQHSA-N 1 0 611.743 2.717 1 0 in-vitro KFAFRO CC(C)[C@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@@H]3[N@H+](C)C2)O[C@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000038139287 562062601 /nfs/dbraw/zinc/06/26/01/562062601.db2.gz DEQITUUQPICUMR-BNMAOOAESA-N 1 0 611.743 2.717 1 0 in-vitro KFAFRO COC(=O)C1=C(C(=O)OC)[C@]2([C@H]3C/C=C\C[NH2+][C@@H](Cc4ccccc4)C(=O)N3Cc3ccccc3)C=C[C@H]1O2 ZINC000038143086 562063698 /nfs/dbraw/zinc/06/36/98/562063698.db2.gz LVHSODJZDMKEQD-MTPAGKDGSA-N 1 0 528.605 2.895 1 0 KFAFRO COc1ccc2[nH]c(C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCc3ccc(C(F)(F)F)cc3)cc2c1 ZINC000038149851 562066261 /nfs/dbraw/zinc/06/62/61/562066261.db2.gz MAXYIAALTDWOLW-LJQANCHMSA-N 1 0 504.513 2.873 1 0 KFAFRO Cn1c(=O)[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000038151180 562066843 /nfs/dbraw/zinc/06/68/43/562066843.db2.gz BWFZVCAHTKYRFD-IBGZPJMESA-N 1 0 505.575 2.503 1 0 KFAFRO CCn1c(=O)[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000038151185 562066845 /nfs/dbraw/zinc/06/68/45/562066845.db2.gz XUDGCOWUVGYAJW-FQEVSTJZSA-N 1 0 519.602 2.986 1 0 KFAFRO O=C(c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CCOCC1 ZINC000038432601 562071857 /nfs/dbraw/zinc/07/18/57/562071857.db2.gz HYXOPHKTCBTUBR-NRFANRHFSA-N 1 0 502.995 2.727 1 0 KFAFRO CCOC(=O)COc1ccccc1NC(=O)[C@@H]1CC=NN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000040409088 562075202 /nfs/dbraw/zinc/07/52/02/562075202.db2.gz MLRIACXPDRTXMV-QRWLVFNGSA-N 1 0 506.481 2.531 1 0 KFAFRO CCOC(=O)COc1ccccc1NC(=O)[C@H]1CC=NN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000040409092 562075190 /nfs/dbraw/zinc/07/51/90/562075190.db2.gz MLRIACXPDRTXMV-FOIQADDNSA-N 1 0 506.481 2.531 1 0 KFAFRO C[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3nc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000040413469 562075482 /nfs/dbraw/zinc/07/54/82/562075482.db2.gz PMIBGRJDGXGXSR-MHZLTWQESA-N 1 0 514.674 2.928 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH3+])C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040420278 562075606 /nfs/dbraw/zinc/07/56/06/562075606.db2.gz DMNBCGIBYAGJOJ-SXLOBPIMSA-N 1 0 508.566 2.952 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040420282 562075611 /nfs/dbraw/zinc/07/56/11/562075611.db2.gz DMNBCGIBYAGJOJ-RLLQIKCJSA-N 1 0 508.566 2.952 1 0 KFAFRO CCN(CC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 ZINC000040422898 562076157 /nfs/dbraw/zinc/07/61/57/562076157.db2.gz HBBWAOOGJLRAAQ-UHFFFAOYSA-N 1 0 502.663 2.785 1 0 KFAFRO COc1cc(C(C)C)c(Oc2cnc(NCCN3CC[NH2+]CC3)nc2N)cc1I ZINC000040423683 562076295 /nfs/dbraw/zinc/07/62/95/562076295.db2.gz XSLRIMWVCONACE-UHFFFAOYSA-N 1 0 512.396 2.905 1 0 KFAFRO CC[C@H](NC(=O)c1nc2ccccc2n1Cc1ccccc1)C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000040423721 562076337 /nfs/dbraw/zinc/07/63/37/562076337.db2.gz CKRRVTHRMWCRLQ-DEOSSOPVSA-N 1 0 502.663 2.831 1 0 KFAFRO CC[C@@H](NC(=O)c1nc2ccccc2n1Cc1ccccc1)C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000040423722 562076300 /nfs/dbraw/zinc/07/63/00/562076300.db2.gz CKRRVTHRMWCRLQ-XMMPIXPASA-N 1 0 502.663 2.831 1 0 KFAFRO CSc1ccc(C[NH2+][C@@H]2CCN(C)C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040424469 562076453 /nfs/dbraw/zinc/07/64/53/562076453.db2.gz HNYWXTUFPHFELD-NHCUHLMSSA-N 1 0 509.598 2.718 1 0 KFAFRO CCSc1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040424786 562076392 /nfs/dbraw/zinc/07/63/92/562076392.db2.gz RTSIROWBBFPFHQ-RTWAWAEBSA-N 1 0 509.598 2.766 1 0 KFAFRO CCSc1ccc(CN[C@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040424788 562076449 /nfs/dbraw/zinc/07/64/49/562076449.db2.gz RTSIROWBBFPFHQ-SFTDATJTSA-N 1 0 509.598 2.766 1 0 KFAFRO CCSc1ccc(CN[C@@H]2CC[NH2+]C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040424790 562076478 /nfs/dbraw/zinc/07/64/78/562076478.db2.gz RTSIROWBBFPFHQ-NHCUHLMSSA-N 1 0 509.598 2.766 1 0 KFAFRO CCSc1ccc(CN[C@H]2CC[NH2+]C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040424792 562076381 /nfs/dbraw/zinc/07/63/81/562076381.db2.gz RTSIROWBBFPFHQ-LEWJYISDSA-N 1 0 509.598 2.766 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C[C@@H]([NH3+])Cc3ccccc3)[C@H](Cc3ccccc3)C2)c1 ZINC000040533551 562077781 /nfs/dbraw/zinc/07/77/81/562077781.db2.gz FOJSXRONJUPKFM-LBNVMWSVSA-N 1 0 535.714 2.796 1 0 KFAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CF)cc(NC[C@H]2C[C@H]2C)n1 ZINC000040767507 562079685 /nfs/dbraw/zinc/07/96/85/562079685.db2.gz SIBWATARUGFMIW-GFRNBQLOSA-N 1 0 505.660 2.962 1 0 KFAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CF)cc(NC[C@@H]2C[C@H]2C)n1 ZINC000040767510 562079680 /nfs/dbraw/zinc/07/96/80/562079680.db2.gz SIBWATARUGFMIW-MNAPGUCWSA-N 1 0 505.660 2.962 1 0 KFAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CC[NH+]5CCOCC5)CC4)cc2)CC3)cc1 ZINC000040862894 562080919 /nfs/dbraw/zinc/08/09/19/562080919.db2.gz WJJQIXYSPBQXCQ-UHFFFAOYSA-N 1 0 515.614 2.937 1 0 KFAFRO CC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000040864877 562081208 /nfs/dbraw/zinc/08/12/08/562081208.db2.gz YBCXRFXRMKTZQS-ZNZIZOMTSA-N 1 0 504.606 2.655 1 0 KFAFRO C[NH2+]CC(=O)N1CCc2cc(OC)c(Nc3nc4[nH]ccc4c(Nc4cccc(F)c4C(N)=O)n3)cc21 ZINC000040865009 562081148 /nfs/dbraw/zinc/08/11/48/562081148.db2.gz WMNYFCPOALWAPO-UHFFFAOYSA-N 1 0 504.526 2.800 1 0 KFAFRO COC(=O)C[C@](O)(CC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000040873450 562081789 /nfs/dbraw/zinc/08/17/89/562081789.db2.gz ORHXSGODOUHFRM-QAPZTRRTSA-N 1 0 501.576 2.686 1 0 KFAFRO COC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040876143 562082144 /nfs/dbraw/zinc/08/21/44/562082144.db2.gz WDTYFVSDCBXMMJ-ZJSXRUAMSA-N 1 0 500.555 2.908 1 0 KFAFRO COC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040876146 562082143 /nfs/dbraw/zinc/08/21/43/562082143.db2.gz WDTYFVSDCBXMMJ-QPPBQGQZSA-N 1 0 500.555 2.908 1 0 KFAFRO COC(=O)c1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1csc(CNC(=O)[C@H](C)[NH3+])c1 ZINC000040891577 562082601 /nfs/dbraw/zinc/08/26/01/562082601.db2.gz ULGCZPZZXNOQIK-LBPRGKRZSA-N 1 0 509.510 2.633 1 0 KFAFRO CCOC(=O)COc1ccc(NC(=O)[C@@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000040897823 562083150 /nfs/dbraw/zinc/08/31/50/562083150.db2.gz DBZHWLFNVZYOSZ-VFNWGFHPSA-N 1 0 506.481 2.531 1 0 KFAFRO CCOC(=O)COc1ccc(NC(=O)[C@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000040897826 562083168 /nfs/dbraw/zinc/08/31/68/562083168.db2.gz DBZHWLFNVZYOSZ-QVKFZJNVSA-N 1 0 506.481 2.531 1 0 KFAFRO CCOC(=O)COc1cccc(NC(=O)[C@@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000040897829 562083141 /nfs/dbraw/zinc/08/31/41/562083141.db2.gz PTIXYZUTJSEIMS-VFNWGFHPSA-N 1 0 506.481 2.531 1 0 KFAFRO CCOC(=O)COc1cccc(NC(=O)[C@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000040897831 562083137 /nfs/dbraw/zinc/08/31/37/562083137.db2.gz PTIXYZUTJSEIMS-QVKFZJNVSA-N 1 0 506.481 2.531 1 0 KFAFRO O=C(Cn1ccc(=O)[nH]c1=O)NCCC[NH2+]CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000040899586 562083378 /nfs/dbraw/zinc/08/33/78/562083378.db2.gz POXCCPABFLSAKR-UHFFFAOYSA-N 1 0 525.653 2.604 1 0 KFAFRO CC(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000040914694 562083858 /nfs/dbraw/zinc/08/38/58/562083858.db2.gz LJDXVVZMXKCHAI-RUZDIDTESA-N 1 0 515.614 2.766 1 0 KFAFRO COc1ccccc1CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc2c1CN(CNC(=O)[C@H](C)[NH3+])C2 ZINC000040915156 562083890 /nfs/dbraw/zinc/08/38/90/562083890.db2.gz KDOOOBMZRDBBAG-HNNXBMFYSA-N 1 0 516.524 2.566 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2C[C@H]([NH3+])CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040935766 562085108 /nfs/dbraw/zinc/08/51/08/562085108.db2.gz MRHMWFQAZDBYRN-UIAACRFSSA-N 1 0 523.581 2.534 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2C[C@@H]([NH3+])CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040935770 562085096 /nfs/dbraw/zinc/08/50/96/562085096.db2.gz MRHMWFQAZDBYRN-RYGJVYDSSA-N 1 0 523.581 2.534 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH3+])C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040936611 562085238 /nfs/dbraw/zinc/08/52/38/562085238.db2.gz OTEQCWOASLYGDD-BEVDRBHNSA-N 1 0 523.581 2.534 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040936615 562085248 /nfs/dbraw/zinc/08/52/48/562085248.db2.gz OTEQCWOASLYGDD-YSGRDPCXSA-N 1 0 523.581 2.534 1 0 KFAFRO C[NH+]1CCC(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3nc4ccccc4n3Cc3ccccc3)CC2)CC1 ZINC000040938300 562085500 /nfs/dbraw/zinc/08/55/00/562085500.db2.gz PMIBGRJDGXGXSR-HHHXNRCGSA-N 1 0 514.674 2.928 1 0 KFAFRO COc1ccc(OC)c(CC(=O)NC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 ZINC000040949885 562085866 /nfs/dbraw/zinc/08/58/66/562085866.db2.gz IDNZTPSGZOEPDV-UHFFFAOYSA-N 1 0 505.999 2.928 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000040952890 562086270 /nfs/dbraw/zinc/08/62/70/562086270.db2.gz AMVDNFIQANYLEW-LOSJGSFVSA-N 1 0 500.665 2.502 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)N(C)c1ccccc1 ZINC000040979136 562087326 /nfs/dbraw/zinc/08/73/26/562087326.db2.gz CADRNJIFUDEZBB-SVBPBHIXSA-N 1 0 514.626 2.612 1 0 in-vivo KFAFRO COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CC[NH2+][C@H](C(N)=O)C5)c(Cl)c4=O)c3C)cc2)cn1 ZINC000042803403 562088198 /nfs/dbraw/zinc/08/81/98/562088198.db2.gz OACZLQJNFVJISX-DEOSSOPVSA-N 1 0 588.068 2.840 1 0 KFAFRO COc1ccc(-c2ccc(C(=O)Nc3cccc(Cn4ncc(N5CC[NH2+][C@@H](C(N)=O)C5)c(Cl)c4=O)c3C)cc2)cn1 ZINC000042803408 562088179 /nfs/dbraw/zinc/08/81/79/562088179.db2.gz OACZLQJNFVJISX-XMMPIXPASA-N 1 0 588.068 2.840 1 0 KFAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH2+]C ZINC000042806117 562089428 /nfs/dbraw/zinc/08/94/28/562089428.db2.gz AHYGIWNTGDKMRR-SUAIOLNFSA-N 1 0 603.739 2.811 1 0 KFAFRO [NH3+][C@@H](CC(=O)NC1(c2nc3ccc(OCCN4CCOCC4)cc3s2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000042806892 562089985 /nfs/dbraw/zinc/08/99/85/562089985.db2.gz IYUPXGCAYGHRFG-LJQANCHMSA-N 1 0 626.723 2.905 1 0 KFAFRO CCCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OC(=O)CNC(=O)C[NH2+]C ZINC000043021938 562644950 /nfs/dbraw/zinc/64/49/50/562644950.db2.gz LFUNPLFUHRACBP-HKBQPEDESA-N 1 0 586.649 2.506 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)c1nc2ccccc2[nH]1 ZINC000043024888 562645074 /nfs/dbraw/zinc/64/50/74/562645074.db2.gz VYRRFOXJWMIUHF-OZXSUGGESA-N 1 0 525.609 2.708 1 0 KFAFRO CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000043059100 562645100 /nfs/dbraw/zinc/64/51/00/562645100.db2.gz FPIHGNRFSYHNCI-DEOSSOPVSA-N 1 0 552.697 2.662 1 0 KFAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1 ZINC000043061912 562645191 /nfs/dbraw/zinc/64/51/91/562645191.db2.gz WMDLKMJFPVHZPM-IZZNHLLZSA-N 1 0 547.624 2.861 1 0 KFAFRO CCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(cn2CC)CCS(=O)(=O)N(C)c3c1 ZINC000043062567 562645185 /nfs/dbraw/zinc/64/51/85/562645185.db2.gz QKUYWGQZOKYCIF-WIOPSUGQSA-N 1 0 512.676 2.685 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CC1CCOCC1)cc3OS(=O)(=O)CC2 ZINC000043067480 562645424 /nfs/dbraw/zinc/64/54/24/562645424.db2.gz PYDKHSBECDQDOY-IZZNHLLZSA-N 1 0 555.697 2.644 1 0 KFAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCOCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000043072334 562645548 /nfs/dbraw/zinc/64/55/48/562645548.db2.gz GSMXCHRMEXPRGE-RRPNLBNLSA-N 1 0 544.718 2.519 1 0 KFAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc([C@H](C)O)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000043073444 562645587 /nfs/dbraw/zinc/64/55/87/562645587.db2.gz AOHCVFKYUINLAB-YCTYLWGJSA-N 1 0 591.677 2.914 1 0 KFAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc([C@@H](C)O)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000043073446 562645609 /nfs/dbraw/zinc/64/56/09/562645609.db2.gz AOHCVFKYUINLAB-OFDZLUAPSA-N 1 0 591.677 2.914 1 0 KFAFRO NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccccc3)cc2)cc1 ZINC000043073553 562645615 /nfs/dbraw/zinc/64/56/15/562645615.db2.gz HKJNKURRZRPPMK-NRFANRHFSA-N 1 0 500.646 2.715 1 0 KFAFRO C[C@H]1OC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C1CC1 ZINC000043102704 562645953 /nfs/dbraw/zinc/64/59/53/562645953.db2.gz XEKMQLQBVHUWNQ-AQOQOECRSA-N 1 0 554.109 2.707 1 0 KFAFRO O=C(OC1([C@H]2COC[C@@H](CC3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC000043102716 562645972 /nfs/dbraw/zinc/64/59/72/562645972.db2.gz FJKZYQSIFVSZGU-JTOYRKQZSA-N 1 0 554.109 2.708 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1)cc3NS(=O)(=O)CCC2 ZINC000043121522 562646182 /nfs/dbraw/zinc/64/61/82/562646182.db2.gz AAAWKNFGNGANRE-UKILVPOCSA-N 1 0 510.660 2.803 1 0 KFAFRO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]([NH3+])Cc2ccc(OS(=O)(=O)c3cccc4cccnc43)cc2)CC1 ZINC000043122429 562646235 /nfs/dbraw/zinc/64/62/35/562646235.db2.gz UFPUQJBEAZNHDR-QFIPXVFZSA-N 1 0 540.642 2.952 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(CC)S(=O)(=O)CC2 ZINC000043122439 562646237 /nfs/dbraw/zinc/64/62/37/562646237.db2.gz VHIKANGIVZQCPI-XTEPFMGCSA-N 1 0 568.740 2.844 1 0 KFAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)C1 ZINC000043127625 562646303 /nfs/dbraw/zinc/64/63/03/562646303.db2.gz BJPUGAOPNNOBLI-GISBNZKNSA-N 1 0 509.638 2.793 1 0 KFAFRO CC[NH+](CC)CCN(CC[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1ccccc1 ZINC000043152467 562646406 /nfs/dbraw/zinc/64/64/06/562646406.db2.gz ZBLOCVNSRAUDSU-DEOSSOPVSA-N 1 0 544.718 2.738 1 0 KFAFRO [NH3+]C[C@@]12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)c3cccnc3NC1=O)C2=O ZINC000043153540 562646448 /nfs/dbraw/zinc/64/64/48/562646448.db2.gz VXHXLQCJVAHSNL-KYJUHHDHSA-N 1 0 516.561 2.704 1 0 KFAFRO [NH3+]C[C@]12CC(=O)Nc3cccc(c31)N(Cc1ccc3cc4c(cc3n1)C[C@@]1(C4)c3cccnc3NC1=O)C2=O ZINC000043153541 562646425 /nfs/dbraw/zinc/64/64/25/562646425.db2.gz VXHXLQCJVAHSNL-XZWHSSHBSA-N 1 0 516.561 2.704 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000043169874 562646466 /nfs/dbraw/zinc/64/64/66/562646466.db2.gz KZMHNMDBQYDMHY-RPWUZVMVSA-N 1 0 510.660 2.762 1 0 KFAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH3+] ZINC000043204162 562647010 /nfs/dbraw/zinc/64/70/10/562647010.db2.gz RDQOUEKWQGRDRJ-ULNSLHSMSA-N 1 0 603.739 2.940 1 0 KFAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C(C)(C)CO)c4ccc(C(F)(F)F)c(F)c4)CC3)c21 ZINC000043206367 562647070 /nfs/dbraw/zinc/64/70/70/562647070.db2.gz JVKUGJVIBUMCFL-WRWLIDTKSA-N 1 0 539.574 2.968 1 0 KFAFRO COc1c2c(c3ccccc3n(CC(=O)c3ccccc3)c2=O)n(C)c1C(=O)NC1CC[NH+](CCO)CC1 ZINC000043207689 562647115 /nfs/dbraw/zinc/64/71/15/562647115.db2.gz APXCVYPSILYWCO-UHFFFAOYSA-N 1 0 516.598 2.571 1 0 KFAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccc(N)cc1 ZINC000043323351 562647847 /nfs/dbraw/zinc/64/78/47/562647847.db2.gz IFHODRQKTUSIOA-AQNKJIGOSA-N 1 0 584.721 2.676 1 0 KFAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccc(N)cc1 ZINC000043323354 562647818 /nfs/dbraw/zinc/64/78/18/562647818.db2.gz IFHODRQKTUSIOA-FAMBXIEUSA-N 1 0 584.721 2.676 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccccc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043511612 562648783 /nfs/dbraw/zinc/64/87/83/562648783.db2.gz VACJJEPQJDTYTL-GDLZYMKVSA-N 1 0 559.577 2.806 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccccc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043511615 562648769 /nfs/dbraw/zinc/64/87/69/562648769.db2.gz VACJJEPQJDTYTL-LJAQVGFWSA-N 1 0 559.577 2.806 1 0 KFAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)N[C@H](C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(c1ccccc1)c1ccccc1 ZINC000043532189 562649259 /nfs/dbraw/zinc/64/92/59/562649259.db2.gz SMNTXTQPDXQYIC-SXOMAYOGSA-N 1 0 529.641 2.603 1 0 KFAFRO CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCN(C)CC1)c1ccc(F)cc1 ZINC000044032140 562651774 /nfs/dbraw/zinc/65/17/74/562651774.db2.gz YZFGJKKTCVMPBJ-ZONZVBGPSA-N 1 0 520.649 2.798 1 0 KFAFRO COC(=O)[C@H](CCCC[NH3+])N[P@](=O)(OC[C@H]1C=C[C@@H](n2cnc3c2ncnc3N)C1)Oc1ccccc1 ZINC000044053249 562651981 /nfs/dbraw/zinc/65/19/81/562651981.db2.gz RSRDIFBRJXTGHG-REIXGFDUSA-N 1 0 529.538 2.990 1 0 KFAFRO COc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053269 562651971 /nfs/dbraw/zinc/65/19/71/562651971.db2.gz FQIHNCGXHSUDGV-SSEXGKCCSA-N 1 0 589.603 2.815 1 0 KFAFRO COc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000044053272 562651961 /nfs/dbraw/zinc/65/19/61/562651961.db2.gz FQIHNCGXHSUDGV-PMERELPUSA-N 1 0 589.603 2.815 1 0 KFAFRO CCC[C@@H]1NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O ZINC000044070084 562652162 /nfs/dbraw/zinc/65/21/62/562652162.db2.gz WQRLYQHCZSUFGF-ZRRKCSAHSA-N 1 0 552.716 2.802 1 0 KFAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)NC1(C(=O)NCc2ccc(C(N)=[NH2+])cc2)Cc2ccccc2-c2ccccc2C1 ZINC000044202172 562652601 /nfs/dbraw/zinc/65/26/01/562652601.db2.gz CVLTZWVWHRNSEJ-HHHXNRCGSA-N 1 0 541.652 2.606 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044221830 562652703 /nfs/dbraw/zinc/65/27/03/562652703.db2.gz OFSJFKLOYQSCES-MUUNZHRXSA-N 1 0 531.567 2.972 1 0 KFAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044221832 562652724 /nfs/dbraw/zinc/65/27/24/562652724.db2.gz OFSJFKLOYQSCES-NDEPHWFRSA-N 1 0 531.567 2.972 1 0 KFAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000044280309 562652866 /nfs/dbraw/zinc/65/28/66/562652866.db2.gz RQHOEQDAYOKRHG-JVVMDBNWSA-N 1 0 615.750 2.955 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1Cc2c3ccccc3[nH]c2CN(CC(=O)NCc2ccccc2)C1=O ZINC000044281271 562653036 /nfs/dbraw/zinc/65/30/36/562653036.db2.gz DGSVUCDQWMCAPS-XCZPVHLTSA-N 1 0 553.663 2.746 1 0 KFAFRO COc1cc(/C=C/C(=O)O[C@@H]2[C@H]3C[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)C[C@@H]([C@@H]2O)[N@H+]3C)cc(OC)c1OC ZINC000044306958 562653896 /nfs/dbraw/zinc/65/38/96/562653896.db2.gz OWTUMFZGWWGYGZ-PIDWFFPOSA-N 1 0 587.622 2.726 1 0 KFAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1([NH3+])CC1 ZINC000044307694 562654094 /nfs/dbraw/zinc/65/40/94/562654094.db2.gz GEDCOLLODBJRNS-ULNSLHSMSA-N 1 0 601.723 2.694 1 0 KFAFRO CCn1c(=O)[nH]c2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc2N1CCCC1=O ZINC000044307778 562654088 /nfs/dbraw/zinc/65/40/88/562654088.db2.gz RQAUBIXATGJXNE-LBNVMWSVSA-N 1 0 571.678 2.977 1 0 KFAFRO CN1CC[NH+](CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1 ZINC000044351446 562654682 /nfs/dbraw/zinc/65/46/82/562654682.db2.gz NYRGPQZCWOMVAX-UHFFFAOYSA-N 1 0 567.694 2.525 1 0 KFAFRO Cc1cc(=O)oc2cc(C(=O)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ccc12 ZINC000044351815 562654862 /nfs/dbraw/zinc/65/48/62/562654862.db2.gz PTYSEATZORDPQU-AZGAKELHSA-N 1 0 552.587 2.842 1 0 KFAFRO CCN(CC)c1nc2c(nc(SCC(=O)NCCCNC(N)=[NH2+])n2CCc2c[nH]c3ccccc23)c(C)n1 ZINC000044386293 562655845 /nfs/dbraw/zinc/65/58/45/562655845.db2.gz OZNALEYSZNRODJ-UHFFFAOYSA-N 1 0 536.710 2.786 1 0 KFAFRO COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@@H](O)[C@H](C2)[N@H+]3C)cc(OC)c1OC ZINC000044387635 562656145 /nfs/dbraw/zinc/65/61/45/562656145.db2.gz KOHAOVSIVQWVAQ-PIDWFFPOSA-N 1 0 587.622 2.726 1 0 KFAFRO Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CN(C)C(=O)O[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000044404296 562656421 /nfs/dbraw/zinc/65/64/21/562656421.db2.gz RHPFRSVVYGFARI-IEXUWNMDSA-N 1 0 536.612 2.912 1 0 KFAFRO COC(=O)C[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2C[C@H](O)c2cc4c(cc2[C@H]13)OCO4 ZINC000044404555 562656466 /nfs/dbraw/zinc/65/64/66/562656466.db2.gz UGSCGWGSJMKYHV-KXZNEODKSA-N 1 0 545.629 2.957 1 0 KFAFRO COC(=O)C[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2C[C@@H](O)c2cc4c(cc2[C@H]13)OCO4 ZINC000044405074 562656633 /nfs/dbraw/zinc/65/66/33/562656633.db2.gz UGSCGWGSJMKYHV-KGXFQKJDSA-N 1 0 545.629 2.957 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C[NH2+]C1CC1)cc3N(C)S(=O)(=O)CC2 ZINC000045168052 562658063 /nfs/dbraw/zinc/65/80/63/562658063.db2.gz ZPFCKDHSMUIEMN-UKILVPOCSA-N 1 0 528.650 2.576 1 0 KFAFRO CCn1c(-c2nonc2N)nc2c1c(OCCC[NH2+]CCCN1CCOCC1)cnc2-c1ccccc1 ZINC000045189084 562658371 /nfs/dbraw/zinc/65/83/71/562658371.db2.gz NGOLGTIRCVABNC-UHFFFAOYSA-N 1 0 506.611 2.831 1 0 KFAFRO COc1ccc2nccc(N(C)CC3(O)CC[NH+](C[C@H](O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045194631 562658827 /nfs/dbraw/zinc/65/88/27/562658827.db2.gz ZLJDSSNENFSWNJ-NRFANRHFSA-N 1 0 509.632 2.679 1 0 KFAFRO COc1ccc2nccc(N(C)CC3(O)CC[NH+](C[C@@H](O)c4ccc5c(c4)NC(=O)CS5)CC3)c2n1 ZINC000045194634 562658814 /nfs/dbraw/zinc/65/88/14/562658814.db2.gz ZLJDSSNENFSWNJ-OAQYLSRUSA-N 1 0 509.632 2.679 1 0 KFAFRO COc1nc2c(cc1F)ncc(Cl)c2CCN1CC[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H](O)C1 ZINC000045195947 562658906 /nfs/dbraw/zinc/65/89/06/562658906.db2.gz PCAKVWGJRMFSCZ-GHTZIAJQSA-N 1 0 515.973 2.529 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CC(C)C)cc3N(C)S(=O)(=O)CC2 ZINC000045227443 562659419 /nfs/dbraw/zinc/65/94/19/562659419.db2.gz YKBWRXAAWVDSLD-AZGAKELHSA-N 1 0 526.703 2.931 1 0 KFAFRO COc1nc2c(cc1F)ncc(Cl)c2CCN1CCC([NH2+]Cc2ccc3c(n2)NC(=O)CO3)CC1 ZINC000045228291 562659464 /nfs/dbraw/zinc/65/94/64/562659464.db2.gz KOCBQGCRZJYDRP-UHFFFAOYSA-N 1 0 500.962 2.954 1 0 KFAFRO CCCCN1C=CC=c2o/c(=C/C=c3\s/c(=C\c4sc5ccccc5[n+]4CC)n(CCC)c3=O)nc21 ZINC000045245306 562659726 /nfs/dbraw/zinc/65/97/26/562659726.db2.gz RTFWACWBLQRPRN-PMICNGQHSA-N 1 0 519.716 2.834 1 0 KFAFRO COc1ccccc1N1CC[NH+](CCCn2c(-c3ccccc3)cn3c2nc2c3c(=O)n(C)c(=O)n2C)CC1 ZINC000045245645 562659728 /nfs/dbraw/zinc/65/97/28/562659728.db2.gz IFNDRFYBHSYWBF-UHFFFAOYSA-N 1 0 527.629 2.574 1 0 KFAFRO O[C@@H](CNCC[NH2+]C[C@H](O)COC(c1ccco1)c1ccco1)COC(c1ccco1)c1ccco1 ZINC000045259855 562660057 /nfs/dbraw/zinc/66/00/57/562660057.db2.gz WRZSVYUHKOUXQN-PMACEKPBSA-N 1 0 500.548 2.872 1 0 KFAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NC=O)NC1 ZINC000045283969 562660093 /nfs/dbraw/zinc/66/00/93/562660093.db2.gz DMGYNFKHNDPBJQ-RVUATISTSA-N 1 0 516.633 2.611 1 0 KFAFRO O[C@H](CNCC[NH2+]C[C@@H](O)COC(c1ccco1)c1ccco1)COC(c1ccco1)c1ccco1 ZINC000045286077 562660214 /nfs/dbraw/zinc/66/02/14/562660214.db2.gz WRZSVYUHKOUXQN-WOJBJXKFSA-N 1 0 500.548 2.872 1 0 KFAFRO CCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000045318278 562660860 /nfs/dbraw/zinc/66/08/60/562660860.db2.gz RLJZHOBLWMKBLC-LOSJGSFVSA-N 1 0 502.681 2.750 1 0 KFAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NO)NC1 ZINC000045318361 562660921 /nfs/dbraw/zinc/66/09/21/562660921.db2.gz TYBWKRPHNREMTD-SFIUMABJSA-N 1 0 504.622 2.844 1 0 KFAFRO CCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(CC)cn3c2c(c1)N(C)S(=O)(=O)CC3 ZINC000045319303 562661029 /nfs/dbraw/zinc/66/10/29/562661029.db2.gz GVGVWXZXLKTHGB-UKILVPOCSA-N 1 0 512.676 2.685 1 0 KFAFRO CCN(CC)C(=O)C1CC[NH+]([C@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cc3ccccc3o2)CC1 ZINC000045335332 562661326 /nfs/dbraw/zinc/66/13/26/562661326.db2.gz HBFWQWMARKTVKV-NDEPHWFRSA-N 1 0 537.705 2.821 1 0 KFAFRO CCN(CC)C(=O)C1CC[NH+]([C@@H](C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2cc3ccccc3o2)CC1 ZINC000045335334 562661387 /nfs/dbraw/zinc/66/13/87/562661387.db2.gz HBFWQWMARKTVKV-MUUNZHRXSA-N 1 0 537.705 2.821 1 0 KFAFRO C[NH2+]C(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000045336051 562661361 /nfs/dbraw/zinc/66/13/61/562661361.db2.gz LVAOEBJMYZUGDP-UHFFFAOYSA-N 1 0 522.408 2.947 1 0 KFAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(Cc5ccccc5)CCC[NH2+]4)CC3)c2)n[nH]c1=O ZINC000045338765 562661524 /nfs/dbraw/zinc/66/15/24/562661524.db2.gz OZYGNUDTAZNWSK-SSEXGKCCSA-N 1 0 531.632 2.766 1 0 KFAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(Cc5ccccc5)CCC[NH2+]4)CC3)c2)n[nH]c1=O ZINC000045338768 562661539 /nfs/dbraw/zinc/66/15/39/562661539.db2.gz OZYGNUDTAZNWSK-PMERELPUSA-N 1 0 531.632 2.766 1 0 KFAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4([NH+]5CCCC5)CCCC4)CC3)c2)n[nH]c1=O ZINC000045356276 562661927 /nfs/dbraw/zinc/66/19/27/562661927.db2.gz RGBUEKBEKGTQBO-UHFFFAOYSA-N 1 0 509.626 2.810 1 0 KFAFRO Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(C(=O)N2CCN(C(=O)C3([NH2+]CC4CC4)CCCC3)CC2)c1 ZINC000045356799 562661897 /nfs/dbraw/zinc/66/18/97/562661897.db2.gz YYUOOHZAZQBJQH-UHFFFAOYSA-N 1 0 509.626 2.713 1 0 KFAFRO COc1ccccc1C(=O)N[C@@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 ZINC000045389173 562662469 /nfs/dbraw/zinc/66/24/69/562662469.db2.gz INTVKZYCKYKZJV-RPWUZVMVSA-N 1 0 523.655 2.751 1 0 KFAFRO COc1ccccc1C(=O)N[C@H]1CCN(C[C@H](O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)C1 ZINC000045389177 562662455 /nfs/dbraw/zinc/66/24/55/562662455.db2.gz INTVKZYCKYKZJV-ZEQRLZLVSA-N 1 0 523.655 2.751 1 0 KFAFRO C[NH+](C)CCOc1cc(Cl)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1 ZINC000045389370 562662492 /nfs/dbraw/zinc/66/24/92/562662492.db2.gz JDRWNKJMHVFDLV-UHFFFAOYSA-N 1 0 525.997 2.775 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CC1)cc3N(C)S(=O)(=O)CC2 ZINC000048307381 562663084 /nfs/dbraw/zinc/66/30/84/562663084.db2.gz PXWROFUOQDERFO-UKILVPOCSA-N 1 0 546.640 2.716 1 0 KFAFRO CC[C@@H](C)[C@H]([NH3+])C(=O)OC[C@H]1O[C@@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049018790 562663341 /nfs/dbraw/zinc/66/33/41/562663341.db2.gz AYROLJPKHSVESL-AGARMEFISA-N 1 0 511.200 2.641 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1cccc(-c2cccc(NC(=O)C3CCC(C[NH3+])CC3)c2)c1)C(=O)[O-] ZINC000049047899 562663721 /nfs/dbraw/zinc/66/37/21/562663721.db2.gz SFFWUJSMMHUQNX-KXXGJQBSSA-N 1 0 508.623 2.503 1 0 KFAFRO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CNCC[NH2+]2)c1 ZINC000049048517 562663742 /nfs/dbraw/zinc/66/37/42/562663742.db2.gz BBCDUUOCERVFDK-NXCFDTQHSA-N 1 0 516.633 2.799 1 0 KFAFRO O=C(Nc1ccncc1)Nc1ccc(-c2nc3c(ccn3CCN3CC[NH2+]CC3)c(N3CCOCC3)n2)cc1 ZINC000049070350 562664103 /nfs/dbraw/zinc/66/41/03/562664103.db2.gz GNYQXZOLUIPGGQ-UHFFFAOYSA-N 1 0 527.633 2.879 1 0 KFAFRO NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049592759 562664892 /nfs/dbraw/zinc/66/48/92/562664892.db2.gz PXTYYNQYSIYWFW-SSGXOEHOSA-N 1 0 660.775 2.828 1 0 KFAFRO CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](CCN2CC(O)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049599991 562665009 /nfs/dbraw/zinc/66/50/09/562665009.db2.gz PLTSBEYMHCROKV-WZWQPEBYSA-N 1 0 622.844 2.937 1 0 KFAFRO CCCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049604977 562665200 /nfs/dbraw/zinc/66/52/00/562665200.db2.gz RMRBMYWEOXJMPG-XTEPFMGCSA-N 1 0 568.740 2.844 1 0 KFAFRO COc1cc(F)c2ncc(Cl)c([C@H](O)C[NH+]3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)c2c1 ZINC000049605097 562665352 /nfs/dbraw/zinc/66/53/52/562665352.db2.gz ZZPFENQJOCORLL-LJQANCHMSA-N 1 0 529.956 2.690 1 0 KFAFRO COc1cc(F)c2ncc(Cl)c([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc5c(n4)NC(=O)CO5)CC3)c2c1 ZINC000049605098 562665320 /nfs/dbraw/zinc/66/53/20/562665320.db2.gz ZZPFENQJOCORLL-IBGZPJMESA-N 1 0 529.956 2.690 1 0 KFAFRO COC(=O)c1cc(NC(=O)Nc2ccc(Cn3ncc(N4CCC[NH2+]CC4)c(Cl)c3=O)cc2)cc(C(=O)OC)c1 ZINC000049626849 562667384 /nfs/dbraw/zinc/66/73/84/562667384.db2.gz VTMZWGKFJQCHMH-UHFFFAOYSA-N 1 0 569.018 2.962 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N(C)CC[NH+](C)C)cc(=O)oc3c2C)OC1(C)C ZINC000049627086 562667532 /nfs/dbraw/zinc/66/75/32/562667532.db2.gz ODRIFHJCWLXUCA-REEOSCTQSA-N 1 0 557.644 2.851 1 0 KFAFRO COc1cc(COC(=O)C(C)(C)CO[N+](=O)[O-])c(C(=O)O[C@@H](C[NH2+]C(C)(C)C)COc2nsnc2N2CCOCC2)c(OC)c1 ZINC000049639961 562667836 /nfs/dbraw/zinc/66/78/36/562667836.db2.gz IKEDMAMIKMHALS-FQEVSTJZSA-N 1 0 655.727 2.662 1 0 KFAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000049649302 562667799 /nfs/dbraw/zinc/66/77/99/562667799.db2.gz NGTAEMDMCCGMIX-HMODDIRLSA-N 1 0 611.777 2.805 1 0 KFAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](S(C)(=O)=O)NC1 ZINC000049670158 562668211 /nfs/dbraw/zinc/66/82/11/562668211.db2.gz QMCDLWMHCHEUMU-RVUATISTSA-N 1 0 551.700 2.910 1 0 KFAFRO CC[C@@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)C[C@@H]2CCCC[C@@H]21 ZINC000049678051 562668422 /nfs/dbraw/zinc/66/84/22/562668422.db2.gz ZHTYBHJRYWPRIG-DFRFQQMASA-N 1 0 561.727 2.881 1 0 KFAFRO CC[NH+]1CCN(c2cccc3c2C(=O)N([C@H](CCCNS(=O)(=O)c2cn(C)c(C)n2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049680341 562669197 /nfs/dbraw/zinc/66/91/97/562669197.db2.gz OIWZZNWVSQIFAZ-XMMPIXPASA-N 1 0 624.764 2.984 1 0 KFAFRO C[C@@H]1OC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C1CC1 ZINC000049694388 562669271 /nfs/dbraw/zinc/66/92/71/562669271.db2.gz XEKMQLQBVHUWNQ-FRUDXYRZSA-N 1 0 554.109 2.707 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(C2CCCCC2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000049694937 562670003 /nfs/dbraw/zinc/67/00/03/562670003.db2.gz QMSJLLJTHQWFNS-ZEQRLZLVSA-N 1 0 582.750 2.958 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CC[NH2+][C@H](C)C4)cc(=O)oc3c2C)OC1(C)C ZINC000049695106 562670177 /nfs/dbraw/zinc/67/01/77/562670177.db2.gz QIMQTGBSNFTRGA-NVNRBXFISA-N 1 0 555.628 2.651 1 0 KFAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CC[NH2+][C@@H](C)C4)cc(=O)oc3c2C)OC1(C)C ZINC000049695107 562670206 /nfs/dbraw/zinc/67/02/06/562670206.db2.gz QIMQTGBSNFTRGA-KHLZHAMLSA-N 1 0 555.628 2.651 1 0 KFAFRO CC[NH+]1CCN(c2cc(=O)oc3c(C)c(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)ccc23)CC1 ZINC000049695176 562670241 /nfs/dbraw/zinc/67/02/41/562670241.db2.gz DDIYLOUKIBZLIW-SQCBCDKRSA-N 1 0 569.655 2.995 1 0 KFAFRO COc1ncccc1CN1CCN(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 562670828 /nfs/dbraw/zinc/67/08/28/562670828.db2.gz NMHZNRIVIFPIMI-NCCKIYDTSA-N 1 0 643.829 2.876 1 0 KFAFRO CC[C@@H](O)c1cn(C[C@H]2CC[C@H]3CC[C@@H](C(=O)NC(c4ccccc4)c4ccccc4)N3C(=O)[C@H]2NC(=O)[C@@H]([NH3+])CC)nn1 ZINC000049708429 562670924 /nfs/dbraw/zinc/67/09/24/562670924.db2.gz BKDHFGCNNIXCGS-KCVLSDOGSA-N 1 0 601.752 2.619 1 0 KFAFRO CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCO ZINC000049708771 562671071 /nfs/dbraw/zinc/67/10/71/562671071.db2.gz BQFRGLYFTFQIFN-HOIWYFOJSA-N 1 0 520.674 2.527 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049711007 562671934 /nfs/dbraw/zinc/67/19/34/562671934.db2.gz DXMDXOOWUVQCFU-AHKZPQOWSA-N 1 0 572.703 2.593 1 0 KFAFRO CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCc1ccccc1 ZINC000049722650 562672335 /nfs/dbraw/zinc/67/23/35/562672335.db2.gz FBLJJMPPZKDLDJ-DMBLRCPMSA-N 1 0 652.796 2.919 1 0 in-vivo KFAFRO O=C(C1CC[NH2+]CC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049745994 562674187 /nfs/dbraw/zinc/67/41/87/562674187.db2.gz CMBLTTQIISKVDF-UHFFFAOYSA-N 1 0 559.632 2.807 1 0 KFAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@]4(Cc5ccc(F)cc5)CCC[NH2+]4)CC3)c2)n[nH]c1=O ZINC000049746472 562674429 /nfs/dbraw/zinc/67/44/29/562674429.db2.gz HLSPKSKIHXWFRR-SSEXGKCCSA-N 1 0 549.622 2.905 1 0 KFAFRO CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc1)nc2N1CCOCC1 ZINC000049746793 562674564 /nfs/dbraw/zinc/67/45/64/562674564.db2.gz JDTLYBGUQBBSSW-UHFFFAOYSA-N 1 0 558.647 2.680 1 0 KFAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)[C@@]4(Cc5ccc(F)cc5)CCC[NH2+]4)CC3)c2)n[nH]c1=O ZINC000049756776 562675224 /nfs/dbraw/zinc/67/52/24/562675224.db2.gz HLSPKSKIHXWFRR-PMERELPUSA-N 1 0 549.622 2.905 1 0 KFAFRO C[NH+]1CCN(c2nc3ccc(I)cc3c(NCCS(=O)(=O)Nc3ccccc3)n2)CC1 ZINC000049757007 562675420 /nfs/dbraw/zinc/67/54/20/562675420.db2.gz WZOKLBSIICZOIU-UHFFFAOYSA-N 1 0 552.442 2.840 1 0 KFAFRO C[C@@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(CCN1CCOCC1)S(=O)(=O)c1ccccn1 ZINC000049762466 562676555 /nfs/dbraw/zinc/67/65/55/562676555.db2.gz SDODJOIKQGREGK-SANMLTNESA-N 1 0 577.751 2.727 1 0 KFAFRO C[C@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(CCN1CCOCC1)S(=O)(=O)c1ccccn1 ZINC000049762468 562676575 /nfs/dbraw/zinc/67/65/75/562676575.db2.gz SDODJOIKQGREGK-AREMUKBSSA-N 1 0 577.751 2.727 1 0 KFAFRO C[NH+]1CCN(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1 ZINC000049762764 562676733 /nfs/dbraw/zinc/67/67/33/562676733.db2.gz ZFDWLELPGOPUJY-UHFFFAOYSA-N 1 0 537.024 2.586 1 0 KFAFRO [NH3+]CCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(F)cc1F ZINC000049774862 562678811 /nfs/dbraw/zinc/67/88/11/562678811.db2.gz KODBGBAPMYOROH-AFEGWXKPSA-N 1 0 717.770 2.733 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 ZINC000049775655 562679165 /nfs/dbraw/zinc/67/91/65/562679165.db2.gz VGXPBYHWXXJOHW-HJOGWXRNSA-N 1 0 623.170 2.660 1 0 KFAFRO C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)cc(S(=O)(=O)CC[C@]([NH3+])(CO)Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000049775742 562679259 /nfs/dbraw/zinc/67/92/59/562679259.db2.gz IPHPXIDOPOXJRX-PIIWDFAUSA-N 1 0 591.727 2.809 1 0 KFAFRO C[C@@H](NC(=O)c1cc(N(C)S(C)(=O)=O)cc(S(=O)(=O)CC[C@@]([NH3+])(CO)Cc2ccccc2)c1)c1ccc(F)cc1 ZINC000049775744 562679269 /nfs/dbraw/zinc/67/92/69/562679269.db2.gz IPHPXIDOPOXJRX-NGOKVRLYSA-N 1 0 591.727 2.809 1 0 KFAFRO C[C@@H](NC(=O)c1cc(CNC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777137 562679697 /nfs/dbraw/zinc/67/96/97/562679697.db2.gz MFFYKCUQFUTDCE-NGOKVRLYSA-N 1 0 542.677 2.735 1 0 KFAFRO C[C@@H](NC(=O)c1cc(C(=O)OC[C@](O)(C[NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777455 562680058 /nfs/dbraw/zinc/68/00/58/562680058.db2.gz WWWYAFACATVPMH-WHLCRQNOSA-N 1 0 557.644 2.802 1 0 KFAFRO C[C@@H](NC(=O)c1cc(C(=O)OC[C@@](O)(C[NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777456 562680045 /nfs/dbraw/zinc/68/00/45/562680045.db2.gz WWWYAFACATVPMH-GDJIYFAZSA-N 1 0 557.644 2.802 1 0 KFAFRO Cc1cc(C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cccc3ccccc32)C(N)=O)cc(C)c1O ZINC000049780148 562681391 /nfs/dbraw/zinc/68/13/91/562681391.db2.gz UOSWQKPDVGZIDQ-YGXYGYJOSA-N 1 0 649.792 2.963 1 0 in-vivo KFAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5C[C@@H]6C[C@H]5CO6)nc(N5C[C@@H]6C[C@H]5CO6)n4)cc3)cc2)CC1 ZINC000049780563 562681898 /nfs/dbraw/zinc/68/18/98/562681898.db2.gz VHMSKBYACVOPGE-FWEHEUNISA-N 1 0 583.697 2.889 1 0 KFAFRO C[NH+]1CCN(c2ccc(NC(=O)Nc3ccc(-c4nc(N5C[C@H]6C[C@@H]5CO6)nc(N5C[C@H]6C[C@@H]5CO6)n4)cc3)cc2)CC1 ZINC000049780742 562682151 /nfs/dbraw/zinc/68/21/51/562682151.db2.gz VHMSKBYACVOPGE-FPCALVHFSA-N 1 0 583.697 2.889 1 0 KFAFRO CC(=O)N1CCN(CCSc2cc(-c3nn(C[C@H](O)C[NH+]4CCCCC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049780800 562682220 /nfs/dbraw/zinc/68/22/20/562682220.db2.gz ICPBGKIKHDNXQD-XMMPIXPASA-N 1 0 672.840 2.990 1 0 KFAFRO CC(=O)N1CCN(CCSc2cc(-c3nn(C[C@@H](O)C[NH+]4CCCCC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049780801 562682287 /nfs/dbraw/zinc/68/22/87/562682287.db2.gz ICPBGKIKHDNXQD-DEOSSOPVSA-N 1 0 672.840 2.990 1 0 KFAFRO CC[C@@H](CN1CCN(C(=O)c2ccccc2)CC1)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049781255 562682870 /nfs/dbraw/zinc/68/28/70/562682870.db2.gz CTXCLYPEULYDKG-RPBOFIJWSA-N 1 0 559.633 2.862 1 0 KFAFRO CC[C@H](CN1CCN(C(=O)c2ccccc2)CC1)[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049781256 562682828 /nfs/dbraw/zinc/68/28/28/562682828.db2.gz CTXCLYPEULYDKG-JWQCQUIFSA-N 1 0 559.633 2.862 1 0 KFAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000049781297 562682916 /nfs/dbraw/zinc/68/29/16/562682916.db2.gz VMADUGLHDBATAH-HSZRJFAPSA-N 1 0 531.579 2.963 1 0 KFAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(C(=O)c3ccncc3)CC2)C1 ZINC000049781395 562683024 /nfs/dbraw/zinc/68/30/24/562683024.db2.gz USSSDGVTRVZODF-HSZRJFAPSA-N 1 0 531.579 2.963 1 0 KFAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(CN3CC[NH2+]CC3)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049785246 562683980 /nfs/dbraw/zinc/68/39/80/562683980.db2.gz KYBXNXFNIJJZKD-UHFFFAOYSA-N 1 0 534.060 2.711 1 0 KFAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(CCN3CC[NH2+]CC3)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049802288 562685628 /nfs/dbraw/zinc/68/56/28/562685628.db2.gz PUPCPTTZMVXION-UHFFFAOYSA-N 1 0 548.087 2.754 1 0 KFAFRO CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000049802589 562685813 /nfs/dbraw/zinc/68/58/13/562685813.db2.gz NHIVXANMOMOPQC-RPBOFIJWSA-N 1 0 559.633 2.862 1 0 KFAFRO CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000049802590 562685810 /nfs/dbraw/zinc/68/58/10/562685810.db2.gz NHIVXANMOMOPQC-JWQCQUIFSA-N 1 0 559.633 2.862 1 0 KFAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)c2cccc3c(Nc4ccccc4)cc(nc23)-c2ccc(cc2)C/C=C\C[C@@H](C(N)=O)NC(=O)CNC1=O ZINC000049803465 562686130 /nfs/dbraw/zinc/68/61/30/562686130.db2.gz YJJNEAPJRWWAFI-HTHXNTQPSA-N 1 0 661.767 2.596 1 0 KFAFRO CC[C@H]1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049803575 562686165 /nfs/dbraw/zinc/68/61/65/562686165.db2.gz DWZMIAYLKQUVFW-OZNIXHKMSA-N 1 0 610.777 2.924 1 0 KFAFRO CC[C@@H]1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049803576 562686157 /nfs/dbraw/zinc/68/61/57/562686157.db2.gz DWZMIAYLKQUVFW-HZFUHODCSA-N 1 0 610.777 2.924 1 0 KFAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@@H](C)C(C(=O)OC(C)(C)C)=C1 ZINC000049803845 562686238 /nfs/dbraw/zinc/68/62/38/562686238.db2.gz UNWHHYUCVOOZLL-RFLWCCGPSA-N 1 0 541.689 2.840 1 0 KFAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@H](C)C(C(=O)OC(C)(C)C)=C1 ZINC000049803846 562686237 /nfs/dbraw/zinc/68/62/37/562686237.db2.gz UNWHHYUCVOOZLL-YMSRPXOMSA-N 1 0 541.689 2.840 1 0 KFAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2N(N)C(=O)O[C@@]21C ZINC000049803943 562686248 /nfs/dbraw/zinc/68/62/48/562686248.db2.gz NGTAEMDMCCGMIX-AZNUDYJJSA-N 1 0 611.777 2.805 1 0 KFAFRO CC1=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@@H](C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N1CCOCC1 ZINC000049807678 562686433 /nfs/dbraw/zinc/68/64/33/562686433.db2.gz PJFBTVXNTRSLPA-XGJRVREISA-N 1 0 630.786 2.929 1 0 KFAFRO CC1=C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)[C@H](C)C(C(=O)OCc2ccccc2)=C(C)N1CC(=O)N1CCOCC1 ZINC000049807679 562686442 /nfs/dbraw/zinc/68/64/42/562686442.db2.gz PJFBTVXNTRSLPA-RJSONGRPSA-N 1 0 630.786 2.929 1 0 KFAFRO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccccc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1 ZINC000049808115 562686550 /nfs/dbraw/zinc/68/65/50/562686550.db2.gz AWBFHCILUNNXIQ-IXCJQBJRSA-N 1 0 581.725 2.550 1 0 KFAFRO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccccc2)N1c1nc(N2CCN(C)CC2)nc(N2CCN(C)CC2)n1 ZINC000049808116 562686527 /nfs/dbraw/zinc/68/65/27/562686527.db2.gz AWBFHCILUNNXIQ-IAPPQJPRSA-N 1 0 581.725 2.550 1 0 KFAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000049823138 562687065 /nfs/dbraw/zinc/68/70/65/562687065.db2.gz NKMXWBSCHWQTHL-OVDYJBPNSA-N 1 0 682.911 2.837 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)C[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049832834 562687293 /nfs/dbraw/zinc/68/72/93/562687293.db2.gz UHDQNMQEJNNJLW-KBGHPFPWSA-N 1 0 573.768 2.544 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000049841321 562688207 /nfs/dbraw/zinc/68/82/07/562688207.db2.gz XQWLHPWPDQSALN-GJZXTFMBSA-N 1 0 649.792 2.963 1 0 in-vivo KFAFRO 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/nfs/dbraw/zinc/68/97/84/562689784.db2.gz PXEOXNJYTVYEFF-UHFFFAOYSA-N 1 0 567.108 2.735 1 0 KFAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000049877481 562690175 /nfs/dbraw/zinc/69/01/75/562690175.db2.gz KBSJXJIYSRYJSD-UHFFFAOYSA-N 1 0 581.135 2.983 1 0 KFAFRO O=C(C[NH+]1CCCC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049881516 562690842 /nfs/dbraw/zinc/69/08/42/562690842.db2.gz HRJIEWRZLGFGAR-UHFFFAOYSA-N 1 0 559.632 2.903 1 0 KFAFRO O=C([C@@H]1CCC[NH2+]1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049881518 562690919 /nfs/dbraw/zinc/69/09/19/562690919.db2.gz CUKVPVAQKUDUCX-FQEVSTJZSA-N 1 0 545.605 2.560 1 0 KFAFRO O=C([C@H]1CCC[NH2+]1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049881519 562690910 /nfs/dbraw/zinc/69/09/10/562690910.db2.gz CUKVPVAQKUDUCX-HXUWFJFHSA-N 1 0 545.605 2.560 1 0 KFAFRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049881932 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C[C@@H]([C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000049898516 562692587 /nfs/dbraw/zinc/69/25/87/562692587.db2.gz LXITVHCOOLDNBB-SODLLJNMSA-N 1 0 577.803 2.746 1 0 KFAFRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000049898517 562692590 /nfs/dbraw/zinc/69/25/90/562692590.db2.gz LXITVHCOOLDNBB-NBRSPCQWSA-N 1 0 577.803 2.746 1 0 KFAFRO [NH3+]CCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O ZINC000049899473 562693153 /nfs/dbraw/zinc/69/31/53/562693153.db2.gz HDDHGRZMAISHTP-VTIYRKAUSA-N 1 0 685.851 2.951 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049918065 562694374 /nfs/dbraw/zinc/69/43/74/562694374.db2.gz OCXVKWPYTNTHHP-AHKZPQOWSA-N 1 0 590.693 2.732 1 0 KFAFRO 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CC[C@@H](C)[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000058617349 562701079 /nfs/dbraw/zinc/70/10/79/562701079.db2.gz CYTMVCMTUQPYOF-LLUKFRMWSA-N 1 0 609.797 2.524 1 0 KFAFRO C[NH2+]CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 ZINC000058649640 562701295 /nfs/dbraw/zinc/70/12/95/562701295.db2.gz MGDBCLMLZKHXCE-WLYLRDIASA-N 1 0 703.906 2.857 1 0 in-vivo KFAFRO CN(C)S(=O)(=O)c1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000062225114 562704413 /nfs/dbraw/zinc/70/44/13/562704413.db2.gz CCVXOKDJDAXVAE-VWLOTQADSA-N 1 0 509.680 2.621 1 0 KFAFRO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)(F)F)nn3)C[C@H]2C1)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000064286997 562704696 /nfs/dbraw/zinc/70/46/96/562704696.db2.gz MUTILKIAAAQSBN-BNDYYXHWSA-N 1 0 535.542 2.922 1 0 KFAFRO CC(=O)N1CCc2c(sc3nc(SCCC[NH+]4CCN(c5ccc6ccccc6n5)CC4)n(N)c(=O)c32)C1 ZINC000064437114 562705267 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/nfs/dbraw/zinc/70/66/73/562706673.db2.gz NTTROUGKGFNVGR-MVERNJQCSA-N 1 0 523.703 2.695 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000064527178 562706780 /nfs/dbraw/zinc/70/67/80/562706780.db2.gz BGUZNKWHYVIOKM-NOOLENRPSA-N 1 0 586.778 2.710 1 0 KFAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H](C)[NH3+])n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064527850 562707177 /nfs/dbraw/zinc/70/71/77/562707177.db2.gz CUWGYWUFMKRENH-ZDUSSCGKSA-N 1 0 508.560 2.933 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCCCCC(=O)N1CCC(C[NH3+])CC1 ZINC000064527988 562707206 /nfs/dbraw/zinc/70/72/06/562707206.db2.gz RKJNYHUDTOJGIT-DDZLNHKNSA-N 1 0 574.767 2.758 1 0 KFAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](c3ccccc3)C3CN(S(=O)(=O)C(C)C)C3)C[C@@H]2C1 ZINC000064528315 562707303 /nfs/dbraw/zinc/70/73/03/562707303.db2.gz DFPLYLKKYSEABD-GSLIJJQTSA-N 1 0 525.719 2.941 1 0 KFAFRO 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NFEARTMWIKGWAQ-UNMCSNQZSA-N 1 0 598.108 2.639 1 0 KFAFRO CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C(C)(C)C ZINC000064540078 562707659 /nfs/dbraw/zinc/70/76/59/562707659.db2.gz UEEFHKNATVQKST-KCHLEUMXSA-N 1 0 646.837 2.632 1 0 KFAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+](C)C ZINC000064564362 562708566 /nfs/dbraw/zinc/70/85/66/562708566.db2.gz GGECGLKTHHBHRG-DQEYMECFSA-N 1 0 524.662 2.692 1 0 KFAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+](C)C ZINC000064564365 562708578 /nfs/dbraw/zinc/70/85/78/562708578.db2.gz GGECGLKTHHBHRG-RPBOFIJWSA-N 1 0 524.662 2.692 1 0 KFAFRO C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564481 562708587 /nfs/dbraw/zinc/70/85/87/562708587.db2.gz GCOAKEYCENDCTF-BCHFMIIMSA-N 1 0 511.644 2.877 1 0 KFAFRO COc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 ZINC000064564590 562708599 /nfs/dbraw/zinc/70/85/99/562708599.db2.gz ABUCIAUEIGSSGO-BCHFMIIMSA-N 1 0 541.670 2.885 1 0 KFAFRO C[C@H](Cc1cccc(CC(=O)NCCc2ccccc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564671 562708620 /nfs/dbraw/zinc/70/86/20/562708620.db2.gz KUDLPNNYWPDQJU-HRFSGMKKSA-N 1 0 525.671 2.919 1 0 KFAFRO CC(C)[C@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c54)C[C@H]3[N@@H+](C)C2)O[C@@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000064622006 562708850 /nfs/dbraw/zinc/70/88/50/562708850.db2.gz HEFIYUQVAZFDEE-KPMYCWPZSA-N 1 0 609.727 2.627 1 0 KFAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c54)C[C@@H]3[N@@H+](C)C2)O[C@]2(O)[C@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O ZINC000064645675 562708917 /nfs/dbraw/zinc/70/89/17/562708917.db2.gz HEFIYUQVAZFDEE-SHEDBOBNSA-N 1 0 609.727 2.627 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@@H]2CCOC2)C1 ZINC000066065982 562709226 /nfs/dbraw/zinc/70/92/26/562709226.db2.gz LGKYDMFQLBZHJX-ILJOYBHNSA-N 1 0 526.600 2.718 1 0 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1 0 539.576 2.524 1 0 KFAFRO CCOC(=O)COc1cccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000066074097 562709699 /nfs/dbraw/zinc/70/96/99/562709699.db2.gz MYIVWHAJXYALMZ-CRICUBBOSA-N 1 0 539.576 2.524 1 0 KFAFRO CCOC(=O)COc1cccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000066074098 562709664 /nfs/dbraw/zinc/70/96/64/562709664.db2.gz MYIVWHAJXYALMZ-NSYGIPOTSA-N 1 0 539.576 2.524 1 0 KFAFRO CNC(=O)c1cnc(N2CC[N@@H+](C3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)[C@@H](C)C2)c(Cl)c1 ZINC000066076684 562710183 /nfs/dbraw/zinc/71/01/83/562710183.db2.gz KFWUMCCGHJJHSY-SFHVURJKSA-N 1 0 520.099 2.673 1 0 KFAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C(C)(C)C)CSC1(C)C ZINC000066076790 562710172 /nfs/dbraw/zinc/71/01/72/562710172.db2.gz POECXYFDXUGHFU-QWDLEPIUSA-N 1 0 631.884 2.590 1 0 KFAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C(C)(C)C)CSC1(C)C ZINC000066076792 562710177 /nfs/dbraw/zinc/71/01/77/562710177.db2.gz POECXYFDXUGHFU-RSFKBIFASA-N 1 0 631.884 2.590 1 0 KFAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)(C)C)C(C)(C)C ZINC000066076933 562710208 /nfs/dbraw/zinc/71/02/08/562710208.db2.gz GVJOMEAZEBLHBP-FBNBMHSNSA-N 1 0 633.900 2.822 1 0 KFAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C(C)(C)C)CSC1(C)C ZINC000066077669 562710332 /nfs/dbraw/zinc/71/03/32/562710332.db2.gz QFVLVVFGLAGHJY-UBCNIHEASA-N 1 0 633.900 2.822 1 0 KFAFRO COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2OC)C1 ZINC000066078360 562710408 /nfs/dbraw/zinc/71/04/08/562710408.db2.gz GXYWKFBKGZKVJL-OOICKAIWSA-N 1 0 514.589 2.718 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@H](O)C(F)(F)F)C1 ZINC000066080380 562710734 /nfs/dbraw/zinc/71/07/34/562710734.db2.gz UZRULJNSSUAOBU-NBIWHTTOSA-N 1 0 554.532 2.605 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)([C@@H](O)C(F)(F)F)C1 ZINC000066080382 562710701 /nfs/dbraw/zinc/71/07/01/562710701.db2.gz UZRULJNSSUAOBU-AKVSHQRBSA-N 1 0 554.532 2.605 1 0 KFAFRO CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2OC)C1 ZINC000066097176 562710744 /nfs/dbraw/zinc/71/07/44/562710744.db2.gz FNJQBCZQRYMDNK-WHLIWEHUSA-N 1 0 514.589 2.718 1 0 KFAFRO O=C(Cn1c(=O)c2cccn2c2cc(Br)cnc21)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000066136431 562713130 /nfs/dbraw/zinc/71/31/30/562713130.db2.gz MFHVKGNIKPJTHV-UHFFFAOYSA-N 1 0 523.435 2.740 1 0 KFAFRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1 ZINC000066252258 562714697 /nfs/dbraw/zinc/71/46/97/562714697.db2.gz GTQBBIGLKRCDMK-AUSIDOKSSA-N 1 0 501.678 2.962 1 0 KFAFRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1 ZINC000066252259 562714687 /nfs/dbraw/zinc/71/46/87/562714687.db2.gz GTQBBIGLKRCDMK-WMZHIEFXSA-N 1 0 501.678 2.962 1 0 KFAFRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)N2CC[NH2+]CC2)CN3c2ccccc2)cc1 ZINC000066258379 562714915 /nfs/dbraw/zinc/71/49/15/562714915.db2.gz OGTLRIVKQDXKIQ-UHFFFAOYSA-N 1 0 517.674 2.697 1 0 KFAFRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCC[NH3+])CN3c2ccccc2)cc1 ZINC000066260021 562715409 /nfs/dbraw/zinc/71/54/09/562715409.db2.gz SXEXKCKDRWEZRE-UHFFFAOYSA-N 1 0 505.663 2.730 1 0 KFAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN(C(=O)C[NH+](C)C)CC4)cn3)nc2n1C1CCCC1 ZINC000068201490 562716008 /nfs/dbraw/zinc/71/60/08/562716008.db2.gz GIHYRSIEPFPUKX-UHFFFAOYSA-N 1 0 519.654 2.597 1 0 KFAFRO O[C@H]1[C@H](n2cnc3c2ncnc3NCCc2ccc(-c3ccccc3)cc2)O[C@H](CS[C@H]2CC[NH2+]C2)[C@H]1O ZINC000070631556 562716425 /nfs/dbraw/zinc/71/64/25/562716425.db2.gz GUQWGWJSVHHGHZ-AKIIDSJZSA-N 1 0 532.670 2.862 1 0 KFAFRO CC[N@H+](CCNC(=O)c1ccc2cncc(I)c2n1)CCOc1cccnc1F ZINC000071294226 562716811 /nfs/dbraw/zinc/71/68/11/562716811.db2.gz DVMUVPNCPYBORH-UHFFFAOYSA-N 1 0 509.323 2.899 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 ZINC000071294306 562716871 /nfs/dbraw/zinc/71/68/71/562716871.db2.gz GBWPQTQWSOSZFX-WOYCLPQFSA-N 1 0 505.607 2.794 1 0 KFAFRO COc1cc(O)c2c(c1Br)C(=O)OCC[NH2+]CC(=S)N[C@H](c1nc(C)no1)CSC2 ZINC000071295170 562717142 /nfs/dbraw/zinc/71/71/42/562717142.db2.gz HEILXGPLELWXFG-NSHDSACASA-N 1 0 517.427 2.506 1 0 KFAFRO CC[N@H+](CCNC(=O)c1cnc2cc(I)ccc2n1)CCOc1cccnc1F ZINC000071295173 562717162 /nfs/dbraw/zinc/71/71/62/562717162.db2.gz PTYPBPHCQIFNQP-UHFFFAOYSA-N 1 0 509.323 2.899 1 0 KFAFRO CC[N@H+](CCNC(=O)c1cnc2cc(I)ccc2n1)CCNc1cccc(F)n1 ZINC000071295360 562717218 /nfs/dbraw/zinc/71/72/18/562717218.db2.gz NPEKWMBMVYECQK-UHFFFAOYSA-N 1 0 508.339 2.932 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071296471 562717528 /nfs/dbraw/zinc/71/75/28/562717528.db2.gz BRCKNRHULLJPNN-OUTSHDOLSA-N 1 0 585.775 2.659 1 0 KFAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NC(=O)C4CC[NH+](C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071296682 562717627 /nfs/dbraw/zinc/71/76/27/562717627.db2.gz KMZDOKNRRSNTSW-UHFFFAOYSA-N 1 0 544.538 2.997 1 0 KFAFRO COc1cc(C)c(S(=O)(=O)NCC(=O)N(CCCN2CC[NH+](C)CC2)Cc2ccccc2)c(C)c1C ZINC000071297097 562717701 /nfs/dbraw/zinc/71/77/01/562717701.db2.gz DXYGMJYWTLYBMU-UHFFFAOYSA-N 1 0 516.708 2.565 1 0 KFAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCCN2CC[NH+](C)CC2)c(C)c1C ZINC000071316070 562717863 /nfs/dbraw/zinc/71/78/63/562717863.db2.gz UJNSLNJBUGNTIQ-DEOSSOPVSA-N 1 0 551.153 2.917 1 0 KFAFRO O=C(C[NH2+][C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000071316406 562717964 /nfs/dbraw/zinc/71/79/64/562717964.db2.gz RUAOFBZXEIKTIF-FQEVSTJZSA-N 1 0 525.502 2.832 1 0 KFAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CC[NH+](C)CC2)c(C)c1C ZINC000071316462 562717947 /nfs/dbraw/zinc/71/79/47/562717947.db2.gz XCXWHGKZDDCOMC-QHCPKHFHSA-N 1 0 537.126 2.527 1 0 KFAFRO O=C(C[NH2+][C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000071317785 562718301 /nfs/dbraw/zinc/71/83/01/562718301.db2.gz JPEWYODSLJSQNJ-QFIPXVFZSA-N 1 0 525.502 2.832 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(C(N)=O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071317814 562718293 /nfs/dbraw/zinc/71/82/93/562718293.db2.gz WLNYVAADQZVUHY-SVEHJYQDSA-N 1 0 559.729 2.650 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000071318322 562718466 /nfs/dbraw/zinc/71/84/66/562718466.db2.gz DAWXSSJTUYLBPJ-QQJYNPJZSA-N 1 0 528.558 2.705 1 0 KFAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NCCC[NH+]4CCN(C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071318348 562718442 /nfs/dbraw/zinc/71/84/42/562718442.db2.gz YMKBQPSSBXLIRY-UHFFFAOYSA-N 1 0 559.597 2.766 1 0 KFAFRO O=C(C[NH2+][C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000071319295 562718737 /nfs/dbraw/zinc/71/87/37/562718737.db2.gz LBASQNMXYUNIJG-QHCPKHFHSA-N 1 0 524.609 2.544 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071329542 562718913 /nfs/dbraw/zinc/71/89/13/562718913.db2.gz BDOPKJRMCXOBQZ-QCDSWUKFSA-N 1 0 586.803 2.934 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc4c(cc3O2)CNC4=O)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071330803 562719166 /nfs/dbraw/zinc/71/91/66/562719166.db2.gz BWCCMCBGMWBCFE-QCDSWUKFSA-N 1 0 571.740 2.795 1 0 KFAFRO [NH3+][C@@H](CC(=O)N1CCN(Cc2ccc(I)cc2)C(=O)C1)Cc1cc(F)c(F)cc1F ZINC000071331168 562719257 /nfs/dbraw/zinc/71/92/57/562719257.db2.gz OYAKJXLTZHTRTJ-MRXNPFEDSA-N 1 0 531.316 2.839 1 0 KFAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)CCCN2CC[NH+](C)CC2)c(C)c1C ZINC000071331545 562719323 /nfs/dbraw/zinc/71/93/23/562719323.db2.gz MGMISNXERNNMPS-VWLOTQADSA-N 1 0 530.735 2.606 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)cc1 ZINC000071332095 562719359 /nfs/dbraw/zinc/71/93/59/562719359.db2.gz SLOODFDSRINSMM-JWQCQUIFSA-N 1 0 526.703 2.956 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]CC4CC4)ccc32)cc1 ZINC000071333138 562719431 /nfs/dbraw/zinc/71/94/31/562719431.db2.gz CTSBYHBPTCRWMV-CLJLJLNGSA-N 1 0 524.687 2.568 1 0 KFAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000071334057 562719547 /nfs/dbraw/zinc/71/95/47/562719547.db2.gz ILCUXZJPZXJKBO-HPWVJBTOSA-N 1 0 623.776 2.983 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCOc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071335128 562719696 /nfs/dbraw/zinc/71/96/96/562719696.db2.gz AYOLCKHKBYKEFR-JWQCQUIFSA-N 1 0 540.686 2.500 1 0 KFAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071340685 562719815 /nfs/dbraw/zinc/71/98/15/562719815.db2.gz OLFLIQAEINRCNY-CLJLJLNGSA-N 1 0 524.687 2.746 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]CC(C)C)ccc32)cc1 ZINC000071340948 562719861 /nfs/dbraw/zinc/71/98/61/562719861.db2.gz KVMFRCIFAAFVMP-CLJLJLNGSA-N 1 0 526.703 2.814 1 0 KFAFRO COc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071341407 562719981 /nfs/dbraw/zinc/71/99/81/562719981.db2.gz XJNBWOXRFHTSEP-SXOMAYOGSA-N 1 0 554.713 2.754 1 0 KFAFRO COc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071341408 562719965 /nfs/dbraw/zinc/71/99/65/562719965.db2.gz XJNBWOXRFHTSEP-KAYWLYCHSA-N 1 0 554.713 2.754 1 0 KFAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071341419 562719988 /nfs/dbraw/zinc/71/99/88/562719988.db2.gz OLFLIQAEINRCNY-FTJBHMTQSA-N 1 0 524.687 2.746 1 0 KFAFRO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104801 562720611 /nfs/dbraw/zinc/72/06/11/562720611.db2.gz YXWOAFXZZJXFJG-XMMPIXPASA-N 1 0 519.646 2.790 1 0 KFAFRO Cc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104802 562720616 /nfs/dbraw/zinc/72/06/16/562720616.db2.gz YXWOAFXZZJXFJG-DEOSSOPVSA-N 1 0 519.646 2.790 1 0 KFAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccnc(Br)c1 ZINC000072105065 562720638 /nfs/dbraw/zinc/72/06/38/562720638.db2.gz NMQYIPALGQQFCB-VUCQSIFHSA-N 1 0 526.431 2.912 1 0 KFAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccncc1Br ZINC000072105221 562720768 /nfs/dbraw/zinc/72/07/68/562720768.db2.gz BFKXECRCGFSREC-HJUABUFYSA-N 1 0 526.431 2.912 1 0 KFAFRO NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000072106095 562720886 /nfs/dbraw/zinc/72/08/86/562720886.db2.gz JBVGMTUYOJIQQO-SANMLTNESA-N 1 0 530.666 2.714 1 0 KFAFRO COCC[N@H+](C)Cc1c(-c2ccc(NC(=O)NOC)cc2)sc2c1c(=O)n(CCO)c(=O)n2Cc1c(F)cccc1F ZINC000072107286 562721236 /nfs/dbraw/zinc/72/12/36/562721236.db2.gz FGGWCOLDQRWNMZ-UHFFFAOYSA-N 1 0 603.648 2.972 1 0 KFAFRO O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000072111426 562721920 /nfs/dbraw/zinc/72/19/20/562721920.db2.gz SCMBTOKLELJQBE-MHZLTWQESA-N 1 0 525.646 2.947 1 0 KFAFRO CC[C@@H](C)[C@@H]1NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N([C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C1=O ZINC000072112001 562721977 /nfs/dbraw/zinc/72/19/77/562721977.db2.gz SMZJISWTSWRPKD-LADPNGCOSA-N 1 0 701.913 2.956 1 0 KFAFRO CCC(CC)O[C@@H]1C=C(C(=O)OCCCOC(=O)c2ccc3ccccc3c2O)C[C@H](NC(N)=[NH2+])[C@H]1NC(C)=O ZINC000072112253 562722067 /nfs/dbraw/zinc/72/20/67/562722067.db2.gz OXCMWNOFPUTYNN-ISJGIBHGSA-N 1 0 554.644 2.896 1 0 KFAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000072113627 562722425 /nfs/dbraw/zinc/72/24/25/562722425.db2.gz NFHMCPBVHLWDDH-SVBPBHIXSA-N 1 0 517.626 2.869 1 0 KFAFRO CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118378 562723517 /nfs/dbraw/zinc/72/35/17/562723517.db2.gz RQHKGZNXLALUBT-CYXNTTPDSA-N 1 0 574.751 2.822 1 0 KFAFRO [NH3+][C@@H](Cc1ccc2ccccc2c1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118647 562723562 /nfs/dbraw/zinc/72/35/62/562723562.db2.gz ZKDCRLGGBVAUDA-OCBJUFRSSA-N 1 0 591.716 2.706 1 0 KFAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123700 562724876 /nfs/dbraw/zinc/72/48/76/562724876.db2.gz BWVKPKQASKYLOF-YSLHKSLUSA-N 1 0 645.776 2.633 1 0 KFAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123701 562724891 /nfs/dbraw/zinc/72/48/91/562724891.db2.gz BWVKPKQASKYLOF-HYKJKDMVSA-N 1 0 645.776 2.633 1 0 KFAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123702 562724887 /nfs/dbraw/zinc/72/48/87/562724887.db2.gz BWVKPKQASKYLOF-ALQXIODZSA-N 1 0 645.776 2.633 1 0 KFAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123703 562724903 /nfs/dbraw/zinc/72/49/03/562724903.db2.gz BWVKPKQASKYLOF-SEZOVNKOSA-N 1 0 645.776 2.633 1 0 KFAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000072126773 562725382 /nfs/dbraw/zinc/72/53/82/562725382.db2.gz TYSGVXSEKGDKQO-VECIQGBVSA-N 1 0 716.855 2.801 1 0 KFAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000072126815 562725443 /nfs/dbraw/zinc/72/54/43/562725443.db2.gz BHRXNCNPQWWEGY-ZNUKHNLPSA-N 1 0 652.796 2.920 1 0 KFAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000072127068 562725671 /nfs/dbraw/zinc/72/56/71/562725671.db2.gz BHRXNCNPQWWEGY-NZLLLSFESA-N 1 0 652.796 2.920 1 0 KFAFRO COc1ccc(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)C[NH2+]2)cc1 ZINC000072128782 562726317 /nfs/dbraw/zinc/72/63/17/562726317.db2.gz OIFKIYZRJYHVDN-CFNXAKABSA-N 1 0 653.802 2.992 1 0 KFAFRO COc1cccc(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)C[NH2+]2)c1 ZINC000072128870 562726367 /nfs/dbraw/zinc/72/63/67/562726367.db2.gz PFACQBQQYOUOSH-CFNXAKABSA-N 1 0 653.802 2.992 1 0 KFAFRO COc1ccccc1NC(=O)[C@@H]1C[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)C[NH2+]1 ZINC000072129825 562726435 /nfs/dbraw/zinc/72/64/35/562726435.db2.gz GMLNGXSDFJJKMA-ZBBWKFRYSA-N 1 0 653.802 2.992 1 0 KFAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[NH3+])c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000072131728 562726854 /nfs/dbraw/zinc/72/68/54/562726854.db2.gz BVBAHIZAJVEBJA-WABYMJCHSA-N 1 0 724.969 2.654 1 0 KFAFRO CC[C@H]([NH3+])CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O ZINC000072134913 562727413 /nfs/dbraw/zinc/72/74/13/562727413.db2.gz PPZJUUYYINLYQX-CFAKLBKHSA-N 1 0 638.854 2.868 1 0 KFAFRO CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072142342 562729541 /nfs/dbraw/zinc/72/95/41/562729541.db2.gz MOWUZWVDLDKFRP-SKVJQKLOSA-N 1 0 542.684 2.725 1 0 KFAFRO NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072142783 562729609 /nfs/dbraw/zinc/72/96/09/562729609.db2.gz WSXDQVHCIABJJQ-NSGJQZOKSA-N 1 0 608.699 2.740 1 0 KFAFRO [NH3+][C@@H](CCc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072142923 562729675 /nfs/dbraw/zinc/72/96/75/562729675.db2.gz VUVNDJGAKQLXFP-PFBJBMPXSA-N 1 0 590.128 2.597 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N[C@@H]1CCN([C@@H](CC(C)C)C(=O)N2CCC(C[NH3+])CC2)C1=O ZINC000072147615 562729742 /nfs/dbraw/zinc/72/97/42/562729742.db2.gz QCKIXSSTLJKSFU-LWCQALDFSA-N 1 0 671.884 2.603 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N[C@H]1CCN([C@@H](CC(C)C)C(=O)N2CCC(C[NH3+])CC2)C1=O ZINC000072147616 562729744 /nfs/dbraw/zinc/72/97/44/562729744.db2.gz QCKIXSSTLJKSFU-NFWZRYHXSA-N 1 0 671.884 2.603 1 0 KFAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1 ZINC000072147770 562729875 /nfs/dbraw/zinc/72/98/75/562729875.db2.gz UVJXDFOKKCYRMJ-ZDCRTTOTSA-N 1 0 680.854 2.686 1 0 KFAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000072147792 562729882 /nfs/dbraw/zinc/72/98/82/562729882.db2.gz XANGRMFVALRSJN-AWCRTANDSA-N 1 0 662.836 2.851 1 0 KFAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCC(C)C ZINC000072147794 562729887 /nfs/dbraw/zinc/72/98/87/562729887.db2.gz WCHLNJYORYSOJT-DTXPUJKBSA-N 1 0 662.836 2.709 1 0 KFAFRO CC(C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147869 562729938 /nfs/dbraw/zinc/72/99/38/562729938.db2.gz LXMNJWCWOMNRNK-CHQNGUEUSA-N 1 0 652.800 2.965 1 0 KFAFRO C[N@@H+]1CC[C@@]23c4c5c(OC(=O)c6ccc(OCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C)cc6)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@@H]3O5 ZINC000072147885 562729941 /nfs/dbraw/zinc/72/99/41/562729941.db2.gz GONCOJOKMQBWNU-CJOKJYJKSA-N 1 0 693.794 2.765 1 0 KFAFRO CC(C)CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000072148899 562729930 /nfs/dbraw/zinc/72/99/30/562729930.db2.gz MTGJLVPBPWLWNT-CHQNGUEUSA-N 1 0 658.848 2.729 1 0 KFAFRO CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1 ZINC000072148907 562729928 /nfs/dbraw/zinc/72/99/28/562729928.db2.gz GQDOCNRWXYUSJZ-CPCREDONSA-N 1 0 680.854 2.828 1 0 KFAFRO CC(C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072148913 562729931 /nfs/dbraw/zinc/72/99/31/562729931.db2.gz VUVSGPFJJACUFU-CPCREDONSA-N 1 0 666.827 2.643 1 0 KFAFRO CC(C)COC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000072148920 562729988 /nfs/dbraw/zinc/72/99/88/562729988.db2.gz OMWNCQNNAADJSE-AWCRTANDSA-N 1 0 662.836 2.851 1 0 KFAFRO CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000072148931 562729982 /nfs/dbraw/zinc/72/99/82/562729982.db2.gz TXQBFPUIWKSVSF-KCHLEUMXSA-N 1 0 662.836 2.994 1 0 KFAFRO CC(C)COC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000072148935 562729958 /nfs/dbraw/zinc/72/99/58/562729958.db2.gz VGXIUIKVLYNWLE-CHQNGUEUSA-N 1 0 674.847 2.949 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000072148936 562729956 /nfs/dbraw/zinc/72/99/56/562729956.db2.gz GFBUWNMSMOAMTM-AFEGWXKPSA-N 1 0 692.865 2.926 1 0 KFAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@@H](NC(=O)c1cccc(I)c1)[C@@H]3O5 ZINC000072170625 562730368 /nfs/dbraw/zinc/73/03/68/562730368.db2.gz UKTOBZMVJHBRHZ-RMTHQLOBSA-N 1 0 532.378 2.579 1 0 KFAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171015 562730452 /nfs/dbraw/zinc/73/04/52/562730452.db2.gz LGFCGDMDWJAZOB-DNRSQYFGSA-N 1 0 562.575 2.811 1 0 KFAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072171016 562730435 /nfs/dbraw/zinc/73/04/35/562730435.db2.gz LGFCGDMDWJAZOB-ZSQFBXSQSA-N 1 0 562.575 2.811 1 0 KFAFRO CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000072171888 562730525 /nfs/dbraw/zinc/73/05/25/562730525.db2.gz OSOOWXRUSUHLOX-PBFVMIKGSA-N 1 0 573.771 2.826 1 0 KFAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)cc(OCCOC)c1 ZINC000072174924 562731225 /nfs/dbraw/zinc/73/12/25/562731225.db2.gz IRWKEOYYPLGNSR-SXOMAYOGSA-N 1 0 511.663 2.874 1 0 KFAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNS(N)(=O)=O)C(C)C)C(C)C)ccc1OC ZINC000072175709 562731374 /nfs/dbraw/zinc/73/13/74/562731374.db2.gz JLADSIQXLUGPJM-CQJMVLFOSA-N 1 0 616.866 2.601 1 0 KFAFRO CN(CC[NH+](C)C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(O[C@H]4CCOC4)nc(N4CCOCC4)n3)cc2)cc1 ZINC000072176552 562731628 /nfs/dbraw/zinc/73/16/28/562731628.db2.gz QSRAFHYPMDCEPG-VWLOTQADSA-N 1 0 590.685 2.821 1 0 KFAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072177281 562731765 /nfs/dbraw/zinc/73/17/65/562731765.db2.gz KELZFVUFZSHVNN-SXOMAYOGSA-N 1 0 561.708 2.699 1 0 KFAFRO COc1cc(OC[C@H](O)C[NH2+]CCc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O ZINC000072177445 562731786 /nfs/dbraw/zinc/73/17/86/562731786.db2.gz KYEDCRIOTIPLNQ-OSDUOIJGSA-N 1 0 551.592 2.508 1 0 KFAFRO COc1cc(OC[C@@H](O)C[NH2+]CCc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O ZINC000072177446 562731779 /nfs/dbraw/zinc/73/17/79/562731779.db2.gz KYEDCRIOTIPLNQ-ANDWUQBRSA-N 1 0 551.592 2.508 1 0 KFAFRO COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N(C)CC[NH+](C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072177700 562731818 /nfs/dbraw/zinc/73/18/18/562731818.db2.gz DHEJWIJAJGWEQX-UHFFFAOYSA-N 1 0 534.621 2.661 1 0 KFAFRO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072177881 562731917 /nfs/dbraw/zinc/73/19/17/562731917.db2.gz JDSMMRIRTMTRGW-OFPKDFQKSA-N 1 0 581.673 2.856 1 0 KFAFRO COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N4CC[NH2+]C(C)(C)C4)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072177900 562731922 /nfs/dbraw/zinc/73/19/22/562731922.db2.gz WKNDGMHLNPGXII-UHFFFAOYSA-N 1 0 546.632 2.852 1 0 KFAFRO CC[NH+](CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1/C(=O)Nc2ccccc21 ZINC000072178739 562732143 /nfs/dbraw/zinc/73/21/43/562732143.db2.gz DQCAPRRNXQWYLG-KBHFEKENSA-N 1 0 523.655 2.647 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@H](CCSC)C(=O)N1CC[NH2+]CC1 ZINC000072179112 562732254 /nfs/dbraw/zinc/73/22/54/562732254.db2.gz DHTRMESCXQVLFO-BFPLWUPNSA-N 1 0 627.716 2.552 1 0 KFAFRO CC[NH+](CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1/C(=O)Nc2ccc(F)cc21 ZINC000072179325 562732295 /nfs/dbraw/zinc/73/22/95/562732295.db2.gz IQVYMFJNYQXJOK-UBVVQDNHSA-N 1 0 541.645 2.787 1 0 KFAFRO CC[NH+](CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1/C(=O)Nc2ccc(C)cc21 ZINC000072179560 562732330 /nfs/dbraw/zinc/73/23/30/562732330.db2.gz AKXDFTZIFCOQRI-FBUFCJIISA-N 1 0 537.682 2.956 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCN4C(=O)COc5ccc(-c6ccco6)cc54)CC3)nc2N1 ZINC000072179596 562732319 /nfs/dbraw/zinc/73/23/19/562732319.db2.gz BBYRVOHZWJHMHW-UHFFFAOYSA-N 1 0 503.559 2.652 1 0 KFAFRO CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(N4CCC([NH+]5CCCC5)CC4)c(Cl)c3)nc21 ZINC000072315787 562733064 /nfs/dbraw/zinc/73/30/64/562733064.db2.gz ZRQLWBZFRLHXBV-UHFFFAOYSA-N 1 0 511.030 2.954 1 0 KFAFRO CCC[C@@H](O)[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)C1=O ZINC000073142038 562733750 /nfs/dbraw/zinc/73/37/50/562733750.db2.gz YCOXCOQIJGLYOQ-VDZGFAOQSA-N 1 0 547.643 2.549 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCCO)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073156740 562733872 /nfs/dbraw/zinc/73/38/72/562733872.db2.gz NRAJZGSYYNSRAK-IBGZPJMESA-N 1 0 536.508 2.653 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CC[N@@H+]1C1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000073159522 562733999 /nfs/dbraw/zinc/73/39/99/562733999.db2.gz BEDXTIAESLFPBE-HKUYNNGSSA-N 1 0 522.481 2.563 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000073159526 562734014 /nfs/dbraw/zinc/73/40/14/562734014.db2.gz PUOXRSXWXLXWHO-INIZCTEOSA-N 1 0 506.438 2.670 1 0 KFAFRO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073159881 562734009 /nfs/dbraw/zinc/73/40/09/562734009.db2.gz YTEAELCTVXTNJX-SFHVURJKSA-N 1 0 527.073 2.513 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(=O)N[C@@H]3CCOC3=O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073160827 562734105 /nfs/dbraw/zinc/73/41/05/562734105.db2.gz HNAUCPSFAYLXKV-PZJWPPBQSA-N 1 0 576.529 2.976 1 0 KFAFRO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073160901 562734095 /nfs/dbraw/zinc/73/40/95/562734095.db2.gz XUMIGZOWIJCFGP-INIZCTEOSA-N 1 0 547.491 2.858 1 0 KFAFRO Cc1cc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)cc1Cl ZINC000073163101 562734236 /nfs/dbraw/zinc/73/42/36/562734236.db2.gz CSCBVXMNZUGHNW-PZJWPPBQSA-N 1 0 509.072 2.784 1 0 KFAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)CCNC(C)=O)C[C@H]1c1ccccc1 ZINC000073164267 562734288 /nfs/dbraw/zinc/73/42/88/562734288.db2.gz RUMVZUFKTZXZHP-VXKWHMMOSA-N 1 0 545.566 2.690 1 0 KFAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)=O)C[C@H]1c1ccccc1 ZINC000073164273 562734279 /nfs/dbraw/zinc/73/42/79/562734279.db2.gz ARPMRCPKTHXPNZ-VXKWHMMOSA-N 1 0 545.566 2.642 1 0 KFAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C[C@H]1c1ccccc1 ZINC000073167651 562734615 /nfs/dbraw/zinc/73/46/15/562734615.db2.gz LUDXHXZJUQBRBS-GOTSBHOMSA-N 1 0 557.577 2.642 1 0 KFAFRO CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCCC)C[NH2+]2)C1=O ZINC000073167735 562734657 /nfs/dbraw/zinc/73/46/57/562734657.db2.gz NCNBQNSEYDEPDM-NNMAOJKYSA-N 1 0 509.638 2.937 1 0 KFAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000073168037 562734694 /nfs/dbraw/zinc/73/46/94/562734694.db2.gz RUDMNOHAIPDMCF-OALUTQOASA-N 1 0 510.542 2.597 1 0 KFAFRO CC[C@H]1CN(c2ncc(C(=O)NC)nc2C(F)(F)F)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073196297 562735143 /nfs/dbraw/zinc/73/51/43/562735143.db2.gz VMEJSBYATPPBRJ-AWEZNQCLSA-N 1 0 555.005 2.691 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCCS(C)(=O)=O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073196342 562735108 /nfs/dbraw/zinc/73/51/08/562735108.db2.gz HUTJXCGDUXXLEB-FQEVSTJZSA-N 1 0 598.601 2.705 1 0 KFAFRO Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C4CC4)ccc32)cc1 ZINC000073197330 562735341 /nfs/dbraw/zinc/73/53/41/562735341.db2.gz USQATXCJYGCZGR-JWQCQUIFSA-N 1 0 508.644 2.791 1 0 KFAFRO CCOc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000073198524 562735742 /nfs/dbraw/zinc/73/57/42/562735742.db2.gz SILRVZNFYNPJTE-UHFFFAOYSA-N 1 0 556.693 2.694 1 0 KFAFRO CCOc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1ccccc1S(=O)(=O)C(C)C ZINC000073198525 562735755 /nfs/dbraw/zinc/73/57/55/562735755.db2.gz IRTPUYZJAPDBQO-UHFFFAOYSA-N 1 0 556.693 2.694 1 0 KFAFRO CN(c1ncccc1-c1ccc2cnc(Nc3ccc(C4CC[NH+](CC(N)=O)CC4)cc3)nn21)S(C)(=O)=O ZINC000073223150 562736460 /nfs/dbraw/zinc/73/64/60/562736460.db2.gz JKNCXKNOUNKWSO-UHFFFAOYSA-N 1 0 534.646 2.595 1 0 KFAFRO COc1ccc(C2=NN(CC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073278076 562737367 /nfs/dbraw/zinc/73/73/67/562737367.db2.gz NOURAPILDFIPLX-JTAQYXEDSA-N 1 0 510.591 2.654 1 0 KFAFRO COc1ccc(C2=NN(CC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073278081 562737373 /nfs/dbraw/zinc/73/73/73/562737373.db2.gz NOURAPILDFIPLX-MZKRTTBSSA-N 1 0 510.591 2.654 1 0 KFAFRO COc1ccc(C2=NN(CC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073278086 562737355 /nfs/dbraw/zinc/73/73/55/562737355.db2.gz NOURAPILDFIPLX-QTEQDKRBSA-N 1 0 510.591 2.654 1 0 KFAFRO COc1ccc(C2=NN(CC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073278092 562737359 /nfs/dbraw/zinc/73/73/59/562737359.db2.gz NOURAPILDFIPLX-VIZSFHNOSA-N 1 0 510.591 2.654 1 0 KFAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073280290 562737444 /nfs/dbraw/zinc/73/74/44/562737444.db2.gz UBUVIBVKTHGWMX-LJAQVGFWSA-N 1 0 604.839 2.654 1 0 KFAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073280292 562737435 /nfs/dbraw/zinc/73/74/35/562737435.db2.gz UBUVIBVKTHGWMX-GDLZYMKVSA-N 1 0 604.839 2.654 1 0 KFAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cc(F)cc(F)c2)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000073280665 562737452 /nfs/dbraw/zinc/73/74/52/562737452.db2.gz GQYTWMORXNLJCB-LJAQVGFWSA-N 1 0 640.819 2.932 1 0 KFAFRO COP(=O)(OC)[C@@H](CNC(=O)c1ccc(OCCC2CC[NH2+]CC2)cc1)NS(=O)(=O)c1ccccc1 ZINC000073295867 562737672 /nfs/dbraw/zinc/73/76/72/562737672.db2.gz CJPNCHUACBVVPL-QHCPKHFHSA-N 1 0 539.591 2.975 1 0 KFAFRO COP(=O)(OC)[C@H](CNC(=O)c1ccc(OCCC2CC[NH2+]CC2)cc1)NS(=O)(=O)c1ccccc1 ZINC000073312769 562737880 /nfs/dbraw/zinc/73/78/80/562737880.db2.gz CJPNCHUACBVVPL-HSZRJFAPSA-N 1 0 539.591 2.975 1 0 KFAFRO CC(C)C[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Oc3ccccn3)C[NH2+]2)C1=O ZINC000082149179 562739648 /nfs/dbraw/zinc/73/96/48/562739648.db2.gz OMRUCWQDVCCDPB-OLPGIOPVSA-N 1 0 544.643 2.841 1 0 KFAFRO [NH3+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082150506 562739797 /nfs/dbraw/zinc/73/97/97/562739797.db2.gz FVIPKDVNUOEKRA-ZWCUEREDSA-N 1 0 595.644 2.759 1 0 KFAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000082151677 562739957 /nfs/dbraw/zinc/73/99/57/562739957.db2.gz QLLNNBURNDDZHO-UHFFFAOYSA-N 1 0 528.639 2.627 1 0 KFAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1nc(N)n(C(=O)NCc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000082152262 562739982 /nfs/dbraw/zinc/73/99/82/562739982.db2.gz AJRKHNURZYMWSP-UHFFFAOYSA-N 1 0 625.800 2.769 1 0 KFAFRO COc1cc(N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1ccccc1S(=O)(=O)C(C)C ZINC000082152265 562740080 /nfs/dbraw/zinc/74/00/80/562740080.db2.gz RDAZPORBYIWYFF-UHFFFAOYSA-N 1 0 625.800 2.769 1 0 KFAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000082152682 562740116 /nfs/dbraw/zinc/74/01/16/562740116.db2.gz KTVGBMRDHUBDLZ-UHFFFAOYSA-N 1 0 528.639 2.627 1 0 KFAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)N(C)Cc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000082156163 562740656 /nfs/dbraw/zinc/74/06/56/562740656.db2.gz HJJBIRBXFYYPQY-UHFFFAOYSA-N 1 0 556.693 2.647 1 0 KFAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)N(C)Cc1ccccc1S(=O)(=O)C(C)C ZINC000082156995 562740790 /nfs/dbraw/zinc/74/07/90/562740790.db2.gz RDWUEOKCZKFQOI-UHFFFAOYSA-N 1 0 556.693 2.647 1 0 KFAFRO CCC(C)(C)C1(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H]2C[N@H+](C)CCN2)CC1 ZINC000084422463 562743029 /nfs/dbraw/zinc/74/30/29/562743029.db2.gz NDOKGGMXMSAVRI-BJKOFHAPSA-N 1 0 545.744 2.716 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 ZINC000084425522 562743033 /nfs/dbraw/zinc/74/30/33/562743033.db2.gz AMHQCADGPIEYBO-QKDODKLFSA-N 1 0 529.641 2.631 1 0 KFAFRO COC(=O)C1=C(C(=O)OC)[C@]2([C@@H]3C/C=C\C[NH2+][C@@H](Cc4ccccc4)C(=O)N3Cc3ccccc3)C=C[C@H]1O2 ZINC000084459885 562743099 /nfs/dbraw/zinc/74/30/99/562743099.db2.gz LVHSODJZDMKEQD-LFCZRDPNSA-N 1 0 528.605 2.895 1 0 KFAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(CCCCn2ccnc2)cc1)C(=O)NCCC1CCCCC1 ZINC000084462629 562743201 /nfs/dbraw/zinc/74/32/01/562743201.db2.gz QSFWBOGPTYXSHE-VMPREFPWSA-N 1 0 582.790 2.626 1 0 KFAFRO C[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[NH2+]1 ZINC000084566849 562743377 /nfs/dbraw/zinc/74/33/77/562743377.db2.gz OFJSZIYSMHBNBU-BYXVTNLJSA-N 1 0 557.755 2.907 1 0 KFAFRO C[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000084567068 562743357 /nfs/dbraw/zinc/74/33/57/562743357.db2.gz QPODIPXQCZIJHZ-SLYNCCJLSA-N 1 0 511.566 2.782 1 0 KFAFRO Cc1nc(N[C@@H](CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)nc2n[nH]nc21 ZINC000084586569 562743403 /nfs/dbraw/zinc/74/34/03/562743403.db2.gz MBFCRDYWDVDSTF-SANMLTNESA-N 1 0 629.770 2.743 1 0 KFAFRO O=C1CN([C@@H]2CC[N@@H+](CCCCCO)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000084602552 562744043 /nfs/dbraw/zinc/74/40/43/562744043.db2.gz JGZXWWBHDNBTHZ-ZMKXSNQSSA-N 1 0 530.625 2.818 1 0 KFAFRO Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCOCCOCCNC(=O)OC(C)(C)C ZINC000084615668 562744539 /nfs/dbraw/zinc/74/45/39/562744539.db2.gz NCRXNBZLAOHEGG-UHFFFAOYSA-N 1 0 515.655 2.583 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084618098 562745085 /nfs/dbraw/zinc/74/50/85/562745085.db2.gz SVQDVZOEBUROOO-QTGUNEKASA-N 1 0 558.724 2.654 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084618101 562745073 /nfs/dbraw/zinc/74/50/73/562745073.db2.gz SVQDVZOEBUROOO-JMUQELJHSA-N 1 0 558.724 2.654 1 0 KFAFRO NC(=[NH2+])NCc1cccc(C[C@H](NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000084620107 562745427 /nfs/dbraw/zinc/74/54/27/562745427.db2.gz HJCCPKALMCCVEK-SAIUNTKASA-N 1 0 740.887 2.507 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084633984 562745814 /nfs/dbraw/zinc/74/58/14/562745814.db2.gz SVQDVZOEBUROOO-HARLFGEKSA-N 1 0 558.724 2.654 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084633985 562745845 /nfs/dbraw/zinc/74/58/45/562745845.db2.gz SVQDVZOEBUROOO-JZWVFAODSA-N 1 0 558.724 2.654 1 0 KFAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4nnnn4c3)N12 ZINC000084634350 562745862 /nfs/dbraw/zinc/74/58/62/562745862.db2.gz UKNKCYGLXUUOFT-PRNYMFJNSA-N 1 0 532.608 2.565 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)[O-])c1 ZINC000084634409 562745909 /nfs/dbraw/zinc/74/59/09/562745909.db2.gz AWHVHBMXAWYHIW-NYVOZVTQSA-N 1 0 558.724 2.654 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)[O-])c1 ZINC000084634411 562745912 /nfs/dbraw/zinc/74/59/12/562745912.db2.gz AWHVHBMXAWYHIW-COPCDDAFSA-N 1 0 558.724 2.654 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)[O-])c1 ZINC000084635616 562746223 /nfs/dbraw/zinc/74/62/23/562746223.db2.gz AWHVHBMXAWYHIW-VLCRHTCISA-N 1 0 558.724 2.654 1 0 KFAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)[O-])c1 ZINC000084635617 562746241 /nfs/dbraw/zinc/74/62/41/562746241.db2.gz AWHVHBMXAWYHIW-STZQEDGTSA-N 1 0 558.724 2.654 1 0 KFAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3ccnc(N)c3)CC2)CC1 ZINC000084651909 562746370 /nfs/dbraw/zinc/74/63/70/562746370.db2.gz RPGYKKMLMMHOJA-RVUSSSHYSA-N 1 0 562.096 2.586 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C[N@H+](CCCNCc2ccc3ccccc3n2)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000084651917 562746379 /nfs/dbraw/zinc/74/63/79/562746379.db2.gz PALLIFAOCCVTNJ-SUYSWCETSA-N 1 0 617.828 2.624 1 0 KFAFRO COCC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C[NH2+][C@H]1CC2(CC(O)C2)Oc2ncc(CC(C)(C)C)cc21 ZINC000084652294 562746498 /nfs/dbraw/zinc/74/64/98/562746498.db2.gz BTFSGRXNMSERHF-INQYLESDSA-N 1 0 529.653 2.851 1 0 KFAFRO CN(C)CC(=O)Nc1ccc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc1F ZINC000084654027 562747083 /nfs/dbraw/zinc/74/70/83/562747083.db2.gz MPFKNFHORVXLRK-PSUQPPDWSA-N 1 0 519.683 2.730 1 0 KFAFRO COC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CSCCOC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000084654703 562747317 /nfs/dbraw/zinc/74/73/17/562747317.db2.gz VTUOPNJSJAHKBU-DQEYMECFSA-N 1 0 522.623 2.888 1 0 KFAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3cncnc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084669355 562747925 /nfs/dbraw/zinc/74/79/25/562747925.db2.gz CUTBTCSJXYVNJF-UHFFFAOYSA-N 1 0 522.569 2.938 1 0 KFAFRO CC[N@@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@@H]32)[C@@H]14)[C@@H](O)[C@@H]6OC ZINC000084669360 562747930 /nfs/dbraw/zinc/74/79/30/562747930.db2.gz QKWSDRKVSSNPCU-OORMJEGNSA-N 1 0 613.748 2.562 1 0 KFAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC4COC4)c3)[C@@H]2O)c1 ZINC000084669482 562748000 /nfs/dbraw/zinc/74/80/00/562748000.db2.gz SDEDNCZAWZKEDI-MOADCYBESA-N 1 0 506.640 2.589 1 0 KFAFRO COc1cccc2cc(C(=O)NCCCN3CC[NH+](CCCNC(=O)c4cc5cccc(OC)c5oc4=N)CC3)c(=N)oc21 ZINC000084669745 562748021 /nfs/dbraw/zinc/74/80/21/562748021.db2.gz HFQZOXVLNQONST-UHFFFAOYSA-N 1 0 602.692 2.713 1 0 KFAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-n1cnc2ccc(N3CC[NH+](C)CC3)cc2c1=O ZINC000084669763 562748094 /nfs/dbraw/zinc/74/80/94/562748094.db2.gz BLSPWFIREKMTOA-UHFFFAOYSA-N 1 0 539.640 2.930 1 0 in-vitro KFAFRO COCCOc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N ZINC000084671044 562748457 /nfs/dbraw/zinc/74/84/57/562748457.db2.gz OWRCJHJKEDPHJO-WPWBMXPQSA-N 1 0 508.656 2.837 1 0 KFAFRO O=c1cc(N2CCC[NH2+]CC2)c(Cl)nn1CCCNS(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000084672305 562748771 /nfs/dbraw/zinc/74/87/71/562748771.db2.gz CPRVSTLQFUYEEQ-UHFFFAOYSA-N 1 0 502.040 2.732 1 0 KFAFRO CC(=O)NCCn1c(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)nnc1-c1ccccc1 ZINC000084672559 562748785 /nfs/dbraw/zinc/74/87/85/562748785.db2.gz JOXCOVIVDPMLSN-UHFFFAOYSA-N 1 0 501.620 2.744 1 0 KFAFRO c1ccc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCN2CCOCC2)cc1 ZINC000084687306 562748870 /nfs/dbraw/zinc/74/88/70/562748870.db2.gz NNSHLOZZVQXSTE-UHFFFAOYSA-N 1 0 529.674 2.940 1 0 KFAFRO c1ccc(Cc2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCN2CCOCC2)cc1 ZINC000084687976 562749081 /nfs/dbraw/zinc/74/90/81/562749081.db2.gz LLFYWQYFPUKNQG-UHFFFAOYSA-N 1 0 543.701 2.864 1 0 KFAFRO c1ccc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCCN2CCOCC2)nc1 ZINC000084687998 562749094 /nfs/dbraw/zinc/74/90/94/562749094.db2.gz BYKGVPQBLWWDCK-UHFFFAOYSA-N 1 0 544.689 2.725 1 0 KFAFRO O=C(C1CN(S(=O)(=O)c2cccc3c(Cl)nc(Cl)cc32)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000084688364 562749170 /nfs/dbraw/zinc/74/91/70/562749170.db2.gz VYIOYESYDYWRRR-UHFFFAOYSA-N 1 0 506.415 2.906 1 0 KFAFRO COCc1nc(-c2ccc(N3C(=O)N(c4cc(=O)[nH]cn4)C4(CC[NH+](Cc5ncccc5C)CC4)C3=O)cc2)no1 ZINC000084722754 562751033 /nfs/dbraw/zinc/75/10/33/562751033.db2.gz SPCSFCKHCIOCTM-UHFFFAOYSA-N 1 0 556.583 2.678 1 0 KFAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-n3cccn3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084722759 562751024 /nfs/dbraw/zinc/75/10/24/562751024.db2.gz LUCCLRBBVBPHOH-UHFFFAOYSA-N 1 0 510.558 2.667 1 0 KFAFRO Cc1c(Cl)ccc(S(=O)(=O)N(C)CCOCC(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c1Cl ZINC000084730451 562751630 /nfs/dbraw/zinc/75/16/30/562751630.db2.gz IOZWNCSTDKYYGK-UHFFFAOYSA-N 1 0 527.474 2.947 1 0 KFAFRO O=c1cc(N2CCC[NH2+]CC2)c(Cl)nn1CCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000084730619 562751645 /nfs/dbraw/zinc/75/16/45/562751645.db2.gz ILHJEFHRTFSTCG-UHFFFAOYSA-N 1 0 502.040 2.732 1 0 KFAFRO CN(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000084730892 562751665 /nfs/dbraw/zinc/75/16/65/562751665.db2.gz ZXODOJVNTVMCAY-UHFFFAOYSA-N 1 0 513.447 2.639 1 0 KFAFRO CN(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000084730897 562751654 /nfs/dbraw/zinc/75/16/54/562751654.db2.gz YMCDNLOHEZEVKI-UHFFFAOYSA-N 1 0 513.447 2.639 1 0 KFAFRO COc1ccc(C=Cc2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(N)=[NH2+])n(C)c4)n(C)c3)cn2)cc1 ZINC000084732527 562751833 /nfs/dbraw/zinc/75/18/33/562751833.db2.gz ACFPTZPKDSOLTP-XBXARRHUSA-N 1 0 583.653 2.655 1 0 KFAFRO c1coc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCN2CCOCC2)c1 ZINC000084732874 562751866 /nfs/dbraw/zinc/75/18/66/562751866.db2.gz OPLVHEAIRKOLEA-UHFFFAOYSA-N 1 0 519.635 2.533 1 0 KFAFRO c1coc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCCN2CCOCC2)c1 ZINC000084733781 562751914 /nfs/dbraw/zinc/75/19/14/562751914.db2.gz MUWCDSHRYHQNHO-UHFFFAOYSA-N 1 0 533.662 2.923 1 0 KFAFRO COc1c2c(c3ccccc3n(CCc3ccccc3)c2=O)n(C)c1C(=O)NC1CC[NH+](CCO)CC1 ZINC000084739655 562752013 /nfs/dbraw/zinc/75/20/13/562752013.db2.gz KBPDWOAVNQIYBD-UHFFFAOYSA-N 1 0 502.615 2.931 1 0 KFAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COCCCCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084758521 562752668 /nfs/dbraw/zinc/75/26/68/562752668.db2.gz FTRSNHHHXATJNL-WUFINQPMSA-N 1 0 588.771 2.775 1 0 KFAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COC/C=C\CCN(C)C(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084758522 562752687 /nfs/dbraw/zinc/75/26/87/562752687.db2.gz JHWZSJJIDCNNBH-NTIAGLRXSA-N 1 0 586.755 2.503 1 0 KFAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COC/C=C/CCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084759554 562752992 /nfs/dbraw/zinc/75/29/92/562752992.db2.gz PDQRIFLZLJPPAY-MBLVZZAPSA-N 1 0 586.755 2.551 1 0 KFAFRO C[C@@H]1[NH2+][C@H](C[C@H](O)[C@@H]2CCCCCC[C@@](O)(CC(=O)[O-])C[NH2+][C@]3(C)C[C@@H](Cc4cccc(c4)C2)N[C@H](N)C3)CC[C@H]1O ZINC000085487875 560075965 /nfs/dbraw/zinc/07/59/65/560075965.db2.gz BQHCMGWMRJLGIG-QSQNZYKQSA-N 1 0 588.834 2.585 1 0 biogenic,in-vitro KFAFRO CC(C)=CCc1cc(C(=O)OC[C@@H]2CC[N@@H+]3CCC[C@H]23)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000085488301 560075703 /nfs/dbraw/zinc/07/57/03/560075703.db2.gz FQXZITIIHQHGBC-LLAIXQACSA-N 1 0 559.700 2.524 1 0 biogenic,in-vitro KFAFRO C[NH2+]C[C@]1(C(=O)[O-])O[C@@H](Oc2cc3c(c(-c4cccc(O)c4)c2)[C@@H]2Oc4c(ccc(OC[NH2+]CCC(C)C)c4OC)[C@@H]2CO3)[C@H](O)[C@@H](O)[C@@H]1O ZINC000085488509 565124281 /nfs/dbraw/zinc/12/42/81/565124281.db2.gz VNHAXPQHZCOPCG-HYUQFFQGSA-N 1 0 696.750 2.510 1 0 biogenic,in-vitro KFAFRO COc1cc([C@@H]2Oc3ccc4cc3[C@H]2C(=O)N2CCCC[NH2+]CCCN[C@H]4CC(=O)NCCC2)ccc1O ZINC000085504886 560074788 /nfs/dbraw/zinc/07/47/88/560074788.db2.gz OZQWWKNRYQISEO-ZGOJTZKKSA-N 1 0 522.646 2.761 1 0 biogenic,in-vitro KFAFRO COc1ccc(/C=C/C(=O)O[C@H]2C[C@]34CC[NH2+][C@@]35C[C@H](O[C@@]5(OC)[C@H]2OC)c2ccc(OC)c(O)c24)cc1O ZINC000085508046 291765677 /nfs/dbraw/zinc/76/56/77/291765677.db2.gz YYOXLLHHBARIFS-SRPBVKBXSA-N 1 0 539.581 2.947 1 0 biogenic,in-vitro KFAFRO CC[C@@H](C)[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]21)C(C)C)[NH+](C)C ZINC000085529893 565135380 /nfs/dbraw/zinc/13/53/80/565135380.db2.gz WUCBFSOLOVAHQC-KBGZNDDGSA-N 1 0 617.791 2.980 1 0 biogenic,in-vitro KFAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1CO)[N@H+]34 ZINC000085532262 560072967 /nfs/dbraw/zinc/07/29/67/560072967.db2.gz PSIFWFNBJIMIMV-RTEIKLLCSA-N 1 0 513.631 2.909 1 0 biogenic,in-vitro KFAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@@H]5C=CC[C@@H](C)C5)[N@H+]4C3)[C@H]2[C@@H]1CO ZINC000085532299 560072804 /nfs/dbraw/zinc/07/28/04/560072804.db2.gz KMFIGNJPNSXRCX-XVVGGPEPSA-N 1 0 511.615 2.543 1 0 biogenic,in-vitro KFAFRO CC[C@H](O)[C@@H]1C[C@H](Cc2ccccc2)C[C@H]2[C@@H]3C(=CCC[N@H+]12)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3CO ZINC000085532365 560072976 /nfs/dbraw/zinc/07/29/76/560072976.db2.gz OUKUJOBPDDDPPE-UAOQDULGSA-N 1 0 511.615 2.653 1 0 biogenic,in-vitro KFAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@@H]3OC(=O)[C@H](O)[C@@H](c1ccccc1)[NH+](C)C ZINC000085540380 565138577 /nfs/dbraw/zinc/13/85/77/565138577.db2.gz KOTXAHKUCAQPQA-MDGPHRIGSA-N 1 0 641.758 2.819 1 0 biogenic,in-vitro KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(c(OC)c3)/C=C\NC(=O)[C@H]3CCCN3C(=O)[C@H]21 ZINC000085542492 565140120 /nfs/dbraw/zinc/14/01/20/565140120.db2.gz NXCUAFMNFVTKHA-NELFDTASSA-N 1 0 611.784 2.642 1 0 biogenic,in-vitro KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cc(F)c(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562657 562753286 /nfs/dbraw/zinc/75/32/86/562753286.db2.gz UDCYYTQBHKOSNJ-HZFUHODCSA-N 1 0 743.834 2.950 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000085562706 562753298 /nfs/dbraw/zinc/75/32/98/562753298.db2.gz LGPMJPUQRGVCNV-XFCANUNOSA-N 1 0 769.954 2.777 1 0 KFAFRO C/C=C(\CCO)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2CC(C[NH2+]C)C2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594630 565151793 /nfs/dbraw/zinc/15/17/93/565151793.db2.gz UGWZXNNQIFCUIT-FNTGSPMTSA-N 1 0 604.704 2.557 1 0 biogenic,in-vitro KFAFRO COc1cc(/C=C(\C[C@@H]2c3cc(CCO)ccc3C(CCC(C)C)=C[C@H]2CO)C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](O)[C@@H]3C[NH2+]C[C@@]2(O)O3)ccc1O ZINC000085595340 565153740 /nfs/dbraw/zinc/15/37/40/565153740.db2.gz QYEWWTPSFPWOML-FTDJQYNGSA-N 1 0 695.806 2.830 1 0 biogenic,in-vitro KFAFRO CC[NH2+]C[C@H](CCO)Oc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@H]2CCO)cc(OC)c1O ZINC000085596623 560063293 /nfs/dbraw/zinc/06/32/93/560063293.db2.gz XYOPWCAGAGWINK-QFNVNUCBSA-N 1 0 549.661 2.677 1 0 biogenic,in-vitro KFAFRO CC[NH2+][C@H](CCC(=O)[O-])COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC[NH2+]C[C@H](C)O)c3)O2)cc(OC)c1O ZINC000085596636 291758984 /nfs/dbraw/zinc/75/89/84/291758984.db2.gz JVPROPDTXHSATI-BIMSFFEPSA-N 1 0 606.713 2.849 1 0 biogenic,in-vitro KFAFRO CC[NH2+]CCOc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O ZINC000085596645 291758991 /nfs/dbraw/zinc/75/89/91/291758991.db2.gz FQSMDKKKLQJVIX-NIXUUHDVSA-N 1 0 505.608 2.926 1 0 biogenic,in-vitro KFAFRO CNCC(=O)O[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)C1(Cc2ccc(O)c3c2CCCO3)CC[NH2+]CC1 ZINC000085596794 560063260 /nfs/dbraw/zinc/06/32/60/560063260.db2.gz CRHRLPLYEWRWEG-UWUFEASWSA-N 1 0 520.667 2.634 1 0 biogenic,in-vitro KFAFRO CNC(=[NH2+])N[C@H](CCCC(=O)[C@@H](CCO)C(=O)CCc1ccc(O)c(OC2CCCC2)c1)CCn1ccnc1 ZINC000085626983 291761196 /nfs/dbraw/zinc/76/11/96/291761196.db2.gz BFNMIZOHFCOUQJ-ISKFKSNPSA-O 1 0 542.701 2.772 1 0 biogenic,in-vitro KFAFRO CC(C)[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000089469835 562753596 /nfs/dbraw/zinc/75/35/96/562753596.db2.gz WXRGFPHDRFQODR-NZCWTCFWSA-N 1 0 539.681 2.852 1 0 KFAFRO COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O ZINC000095535702 562753782 /nfs/dbraw/zinc/75/37/82/562753782.db2.gz GJXSTSJBWPTDMU-DEOSSOPVSA-N 1 0 753.821 2.999 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4cccnc4)C3)C(=O)O[C@@]21C ZINC000095536943 562754284 /nfs/dbraw/zinc/75/42/84/562754284.db2.gz SYSGSBZPFPXRCC-GOLMSLGRSA-N 1 0 744.927 2.816 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccncc4)C3)C(=O)O[C@@]21C ZINC000095536959 562754315 /nfs/dbraw/zinc/75/43/15/562754315.db2.gz ILZYEYHIPNUWRI-GOLMSLGRSA-N 1 0 744.927 2.816 1 0 KFAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C(=O)NCCNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000095538446 562754795 /nfs/dbraw/zinc/75/47/95/562754795.db2.gz HMOIJSGSYAMLFR-NQCLMKBNSA-N 1 0 792.942 2.897 1 0 KFAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C(=O)NCCNC(=O)NCC[N@H+](C(C)C)C2CCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000095538520 562754870 /nfs/dbraw/zinc/75/48/70/562754870.db2.gz AJQMTFFVJITFRF-HXEFRTELSA-N 1 0 770.936 2.508 1 0 KFAFRO CC(C)[C@H]([NH2+][C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@H]1Cc2ccc(cc2)OCCCNC(=O)[C@H](C(C)C)NC1=O ZINC000095539698 562755247 /nfs/dbraw/zinc/75/52/47/562755247.db2.gz YIXPSMLMQRKUFI-PKQOSAAKSA-N 1 0 772.944 2.728 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095540441 562755722 /nfs/dbraw/zinc/75/57/22/562755722.db2.gz RSEZSSYPDGRGRG-WRYLXVNMSA-N 1 0 708.890 2.703 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095540442 562755712 /nfs/dbraw/zinc/75/57/12/562755712.db2.gz RSEZSSYPDGRGRG-VDNARDSYSA-N 1 0 708.890 2.703 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095541326 562756008 /nfs/dbraw/zinc/75/60/08/562756008.db2.gz YHQGEUSAOKYJBE-BQYLNSIHSA-N 1 0 806.368 2.780 1 0 KFAFRO CC(C)(C)c1cc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc3ccccc3)CCCCCC(=O)CCNC2=O)ccc1O ZINC000095544156 562757649 /nfs/dbraw/zinc/75/76/49/562757649.db2.gz JTQNSWFLFZHZQN-QKDODKLFSA-N 1 0 564.727 2.811 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@@H]1C=CCN2C(=O)CC[C@@H](C[NH2+]Cc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000095544217 562757693 /nfs/dbraw/zinc/75/76/93/562757693.db2.gz OJNSACUSVZKEJK-LRLWTYTPSA-N 1 0 788.987 2.800 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@H]1C=CCN2C(=O)CC[C@@H](C[NH2+]Cc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000095544218 562757685 /nfs/dbraw/zinc/75/76/85/562757685.db2.gz OJNSACUSVZKEJK-ZEKSQYEOSA-N 1 0 788.987 2.800 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@@H]1C=CCN2C(=O)CC[C@H](C[NH2+]Cc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000095544219 562757695 /nfs/dbraw/zinc/75/76/95/562757695.db2.gz OJNSACUSVZKEJK-OTFBJTLOSA-N 1 0 788.987 2.800 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C[C@H]1C=CCN2C(=O)CC[C@H](C[NH2+]Cc3ccccc3)C(=O)N12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000095544220 562757687 /nfs/dbraw/zinc/75/76/87/562757687.db2.gz OJNSACUSVZKEJK-JUVHCMARSA-N 1 0 788.987 2.800 1 0 KFAFRO [NH3+]CCCC[C@H](NC(=O)CN(CCNC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000095544569 562757683 /nfs/dbraw/zinc/75/76/83/562757683.db2.gz RDVTVCMONMYINY-IMKBVMFZSA-N 1 0 789.931 2.591 1 0 KFAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H]1NCc2ccc(cc2)OCCOCCOCCNC(=O)[C@H](C(C)C)NC1=O ZINC000095546469 562758496 /nfs/dbraw/zinc/75/84/96/562758496.db2.gz BOMYVDPSYNOFDI-LOFFRUMASA-N 1 0 775.944 2.867 1 0 KFAFRO NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cc(N4CCN(Cc5cnn(CC(=O)N(CCO)CCO)c5)CC4)ncc3Cl)cc1-2 ZINC000095547767 562758848 /nfs/dbraw/zinc/75/88/48/562758848.db2.gz BHHWVKQXKIOMRP-UHFFFAOYSA-N 1 0 771.254 2.509 1 0 KFAFRO CO[C@]1(C)C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@@H](C(C)=O)[C@@H](C)[C@H]3O[C@](C)(C[C@H]3C)[C@H](O[C@@H]3O[C@H](C)C[C@H]([NH+](C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O ZINC000095547949 562759017 /nfs/dbraw/zinc/75/90/17/562759017.db2.gz YLJKDZXDCYUKRR-MTKFTCTCSA-N 1 0 657.842 2.690 1 0 KFAFRO C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCC[NH3+])[C@@H]2c3[nH]c4ccccc4c3C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[C@H]3C(=O)[C@H](Cc3ccccc3)NC1=O)C2=O ZINC000095548689 562759354 /nfs/dbraw/zinc/75/93/54/562759354.db2.gz NQMWTCIUWIRFIJ-CUSOPXGZSA-N 1 0 802.973 2.926 1 0 KFAFRO C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCC[NH3+])[C@@H]2c3[nH]c4ccccc4c3C[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCC[C@@H]3C(=O)[C@H](Cc3ccccc3)NC1=O)C2=O ZINC000095548690 562759338 /nfs/dbraw/zinc/75/93/38/562759338.db2.gz NQMWTCIUWIRFIJ-MFCJENBPSA-N 1 0 802.973 2.926 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCSc3nnnn3C)C(=O)O[C@@]21C ZINC000095548748 562759445 /nfs/dbraw/zinc/75/94/45/562759445.db2.gz AAJOCPMBIWENHD-UCINZNMXSA-N 1 0 768.975 2.896 1 0 KFAFRO CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCN(CC=C(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O ZINC000095552638 562760670 /nfs/dbraw/zinc/76/06/70/562760670.db2.gz XIJUBGRWSWKSLJ-CONSDPRKSA-N 1 0 678.879 2.900 1 0 KFAFRO Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCN5CC[NH+](C)CC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095553184 562760880 /nfs/dbraw/zinc/76/08/80/562760880.db2.gz UMXZZNNMKDFYAG-HSZRJFAPSA-N 1 0 590.758 2.932 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@H](O)c1ccccc1 ZINC000095557280 562762087 /nfs/dbraw/zinc/76/20/87/562762087.db2.gz DVQJSJPUAWVJNQ-VCNFNBSBSA-N 1 0 575.706 2.950 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@H](O)c1ccccc1 ZINC000095557281 562762089 /nfs/dbraw/zinc/76/20/89/562762089.db2.gz DVQJSJPUAWVJNQ-WFNRLYLRSA-N 1 0 575.706 2.950 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@@H](O)c1ccccc1 ZINC000095557282 562762105 /nfs/dbraw/zinc/76/21/05/562762105.db2.gz DVQJSJPUAWVJNQ-HPSFBBAHSA-N 1 0 575.706 2.950 1 0 KFAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)[C@@H](O)c1ccccc1 ZINC000095557283 562762092 /nfs/dbraw/zinc/76/20/92/562762092.db2.gz DVQJSJPUAWVJNQ-FKZASGQMSA-N 1 0 575.706 2.950 1 0 KFAFRO CS(=O)(=O)c1ccccc1C(=O)NC[C@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095557814 562762221 /nfs/dbraw/zinc/76/22/21/562762221.db2.gz KXSMUDWNWWFRRE-GOSISDBHSA-N 1 0 514.475 2.742 1 0 KFAFRO CS(=O)(=O)c1ccccc1C(=O)NC[C@@H](O)C[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095557815 562762215 /nfs/dbraw/zinc/76/22/15/562762215.db2.gz KXSMUDWNWWFRRE-SFHVURJKSA-N 1 0 514.475 2.742 1 0 KFAFRO COc1cccc(-c2nnc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)o2)c1 ZINC000095557837 562762199 /nfs/dbraw/zinc/76/21/99/562762199.db2.gz LUJUVXYDOJRBAL-MRXNPFEDSA-N 1 0 538.548 2.643 1 0 KFAFRO [NH3+][C@@H](CC(=O)NC1(c2nnc(-c3cccc(F)c3)o2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095558236 562762400 /nfs/dbraw/zinc/76/24/00/562762400.db2.gz RCQKKAVUHIDOSU-MRXNPFEDSA-N 1 0 526.512 2.773 1 0 KFAFRO Cn1cc(-c2ccc3nnc(CNc4cc(C(F)(F)F)cc5ncc(N6CC[NH+](C)CC6)nc54)n3n2)cn1 ZINC000095558342 562762430 /nfs/dbraw/zinc/76/24/30/562762430.db2.gz XLHSYMKXNVEBSR-UHFFFAOYSA-N 1 0 523.527 2.851 1 0 KFAFRO CC(C)C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@]1(O[C@@H]2N4[C@@H](OC2(C)C)C(C)(C)O[C@H]41)[C@@H]3O5 ZINC000095558407 562762426 /nfs/dbraw/zinc/76/24/26/562762426.db2.gz WNRVWAVTBCCYGL-XAMIVDPDSA-N 1 0 512.647 2.869 1 0 KFAFRO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2C)cc1 ZINC000095558578 562762486 /nfs/dbraw/zinc/76/24/86/562762486.db2.gz XSRZYTWQASJNFR-QHCPKHFHSA-O 1 0 508.599 2.512 1 0 KFAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC[C@@H](O)[C@H](Cc2ccc(O)cc2)[NH2+]C[C@H](C(C)C)N2CCCC2=O)Cc2ccc(cc2)OCCCNC1=O ZINC000095559480 562762763 /nfs/dbraw/zinc/76/27/63/562762763.db2.gz QLPFLAINYVXMOS-PCRIPJHCSA-N 1 0 665.876 2.531 1 0 KFAFRO [NH3+][C@@H](CC(=O)NC1(c2cccc(-n3ccnc3)c2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095559566 562762790 /nfs/dbraw/zinc/76/27/90/562762790.db2.gz RHBXPICEDSBUNF-GOSISDBHSA-N 1 0 506.550 2.770 1 0 KFAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)c2cc(S(=O)(=O)NC3CC3)ccc12 ZINC000095559758 562762883 /nfs/dbraw/zinc/76/28/83/562762883.db2.gz DTYDZUZTWZDAGL-QGZVFWFLSA-N 1 0 609.532 2.910 1 0 KFAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000095560121 562762982 /nfs/dbraw/zinc/76/29/82/562762982.db2.gz KFEYKPBWXSDNLI-RRPNLBNLSA-N 1 0 542.684 2.948 1 0 KFAFRO NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(C=Cc3ccccc32)CC1 ZINC000095560122 562762985 /nfs/dbraw/zinc/76/29/85/562762985.db2.gz KFEYKPBWXSDNLI-KAYWLYCHSA-N 1 0 542.684 2.948 1 0 KFAFRO Cn1cc(-c2ccccc2)nc1C1(NC(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CCS(=O)(=O)CC1 ZINC000095560254 562762999 /nfs/dbraw/zinc/76/29/99/562762999.db2.gz UAWBGHBZTCSWGQ-GOSISDBHSA-N 1 0 520.577 2.985 1 0 KFAFRO Cc1cc(Cl)ccc1OC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccc(S(C)(=O)=O)cc23)CC1 ZINC000095560904 562763190 /nfs/dbraw/zinc/76/31/90/562763190.db2.gz GJJRSPSNZFRQIQ-GOSISDBHSA-N 1 0 548.061 2.528 1 0 KFAFRO CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]1O7)[C@H]3OC2(C)C ZINC000095561000 562763216 /nfs/dbraw/zinc/76/32/16/562763216.db2.gz VJGIRYDSNADFMS-AKTFNXMJSA-N 1 0 510.631 2.623 1 0 KFAFRO [NH3+][C@@H](CC(=O)NC1(c2nnc(-c3ccccc3)o2)CCS(=O)(=O)CC1)Cc1cc(F)c(F)cc1F ZINC000095561364 562763360 /nfs/dbraw/zinc/76/33/60/562763360.db2.gz DTKUIRHPKZVISZ-MRXNPFEDSA-N 1 0 508.522 2.634 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095561463 562763387 /nfs/dbraw/zinc/76/33/87/562763387.db2.gz LWUANFDWSQXMON-VXKWHMMOSA-N 1 0 573.723 2.640 1 0 KFAFRO CN(C)S(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1 ZINC000095561690 562763462 /nfs/dbraw/zinc/76/34/62/562763462.db2.gz JPDUMUHTXIBGHJ-MRXNPFEDSA-N 1 0 597.521 2.719 1 0 KFAFRO CS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1 ZINC000095562183 562763635 /nfs/dbraw/zinc/76/36/35/562763635.db2.gz YGYJEYXHZXOPGM-OAHLLOKOSA-N 1 0 568.479 2.873 1 0 KFAFRO CC(C)C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@]1(O[C@H]2N4[C@H](OC2(C)C)C(C)(C)O[C@@H]41)[C@@H]3O5 ZINC000095562568 562763765 /nfs/dbraw/zinc/76/37/65/562763765.db2.gz WNRVWAVTBCCYGL-AKTFNXMJSA-N 1 0 512.647 2.869 1 0 KFAFRO NC(=O)c1c(Cl)c(Cl)ccc1OC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]c(=O)c3ccccc23)CC1 ZINC000095563217 562763927 /nfs/dbraw/zinc/76/39/27/562763927.db2.gz MHAQTEBGBYFXKL-CQSZACIVSA-N 1 0 533.412 2.568 1 0 KFAFRO Cc1cc(Cl)ccc1OC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(S(C)(=O)=O)ccc23)CC1 ZINC000095563716 562764073 /nfs/dbraw/zinc/76/40/73/562764073.db2.gz FEIOPVQTLJUJBR-GOSISDBHSA-N 1 0 548.061 2.528 1 0 KFAFRO CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]1O7)[C@@H]3OC2(C)C ZINC000095564170 562764224 /nfs/dbraw/zinc/76/42/24/562764224.db2.gz VJGIRYDSNADFMS-XAMIVDPDSA-N 1 0 510.631 2.623 1 0 KFAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCC[NH2+]CCOc2ccc(Cl)cc2CN1 ZINC000095564243 562764210 /nfs/dbraw/zinc/76/42/10/562764210.db2.gz MVSHFEYEOGURLY-QFIPXVFZSA-N 1 0 559.498 2.851 1 0 KFAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095569276 562767332 /nfs/dbraw/zinc/76/73/32/562767332.db2.gz WRJNAKNVXDMTDS-WZOHSFFVSA-N 1 0 510.635 2.799 1 0 KFAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C4CCOCC4)c4ccc(Cl)cc4)CC3)c21 ZINC000095573339 562769667 /nfs/dbraw/zinc/76/96/67/562769667.db2.gz UVHCRURXEOGIOT-ZPMCFJSWSA-N 1 0 500.043 2.872 1 0 KFAFRO CCc1cn2c3c1cc(C(=O)N[C@H](C[NH2+][C@H](C(=O)NCC(C)C)[C@H](C)O)Cc1ccccc1)cc3N(C)S(=O)(=O)C1(CC1)C2 ZINC000095575219 562770269 /nfs/dbraw/zinc/77/02/69/562770269.db2.gz ZOJOACOPQFLFHF-ONALNCHISA-N 1 0 623.820 2.968 1 0 KFAFRO COc1cc(C2CC[NH+](CC(N)=O)CC2)ccc1Nc1nn2c(-c3ccccc3N(C)S(C)(=O)=O)cc(=O)c-2c[nH]1 ZINC000095576755 562770767 /nfs/dbraw/zinc/77/07/67/562770767.db2.gz AITUNRWYIBUMJS-UHFFFAOYSA-N 1 0 579.683 2.915 1 0 KFAFRO CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000095579462 562771567 /nfs/dbraw/zinc/77/15/67/562771567.db2.gz PWCVAVZHMMVMMM-XZOQPEGZSA-N 1 0 521.083 2.550 1 0 in-vitro KFAFRO CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000095580483 562771826 /nfs/dbraw/zinc/77/18/26/562771826.db2.gz ZOCNINZHZQAUIH-RPWUZVMVSA-N 1 0 535.110 2.940 1 0 in-vitro KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccn(-c2ccc(Cl)cc2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095580857 562771984 /nfs/dbraw/zinc/77/19/84/562771984.db2.gz IAVITXXIEGZFAG-PYHODHCZSA-N 1 0 750.345 2.767 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581333 562772140 /nfs/dbraw/zinc/77/21/40/562772140.db2.gz JFXVKWGREWRRKD-WRTIUAHLSA-N 1 0 800.793 2.519 1 0 KFAFRO [NH3+]C1(C(=O)N[C@H](CCCN2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095585889 562773769 /nfs/dbraw/zinc/77/37/69/562773769.db2.gz BAVQTLJQZAGNJY-JOCHJYFZSA-N 1 0 512.058 2.879 1 0 KFAFRO [NH3+]C1(C(=O)N[C@@H](CCCN2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000095585890 562773746 /nfs/dbraw/zinc/77/37/46/562773746.db2.gz BAVQTLJQZAGNJY-QFIPXVFZSA-N 1 0 512.058 2.879 1 0 KFAFRO C[C@@]1(C(=O)NCc2ccccc2)C[C@@H](C(=O)NCc2ccc(C(N)=[NH2+])cc2)n2c1c(Cl)nc(NC1CCC1)c2=O ZINC000095586085 562773823 /nfs/dbraw/zinc/77/38/23/562773823.db2.gz LANCEUQHFQJIJM-KCWXNJEJSA-N 1 0 562.074 2.980 1 0 KFAFRO COc1ccc(-c2nc3cc(C(=O)Nc4cn(C)c(C(=O)Nc5cn(C)c(C(=O)NCC[NH+](C)C)n5)n4)ccc3[nH]2)cc1 ZINC000095588580 562774722 /nfs/dbraw/zinc/77/47/22/562774722.db2.gz QWWVBIQBLHFQHZ-UHFFFAOYSA-N 1 0 584.641 2.502 1 0 KFAFRO COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]([NH3+])CO ZINC000095589035 562774863 /nfs/dbraw/zinc/77/48/63/562774863.db2.gz HKJODXXUKLWXSP-LQGLAIQGSA-N 1 0 521.570 2.851 1 0 KFAFRO O=C1O[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)CN1c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000095589332 562774934 /nfs/dbraw/zinc/77/49/34/562774934.db2.gz LHFSWGNIRVUSJL-INIZCTEOSA-N 1 0 502.490 2.558 1 0 KFAFRO COc1ccc([C@H]2[C@H](c3ccc(NC(=O)[C@@H]([NH3+])CO)cc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000095590093 562775165 /nfs/dbraw/zinc/77/51/65/562775165.db2.gz WMBRFZWEIGQOAW-TUSQITKMSA-N 1 0 521.570 2.851 1 0 KFAFRO C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1 ZINC000095590109 562775188 /nfs/dbraw/zinc/77/51/88/562775188.db2.gz YNIXHDNHDNHWDP-LDVROUIZSA-N 1 0 550.725 2.676 1 0 KFAFRO C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H](C[C@@]1(O)c2ccccc2NC1=O)C(=O)NCc1ccccc1 ZINC000095591868 562775739 /nfs/dbraw/zinc/77/57/39/562775739.db2.gz PNAOQGBEWNBVLZ-NTFIELQZSA-N 1 0 649.748 2.671 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)C[NH2+]Cc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1 ZINC000095594865 562776540 /nfs/dbraw/zinc/77/65/40/562776540.db2.gz HXFGSQDXPJCLOG-LSGWAJPXSA-N 1 0 648.830 2.952 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)c1nccs1 ZINC000095597677 562777304 /nfs/dbraw/zinc/77/73/04/562777304.db2.gz IOEWPISUHHMKHQ-FIXSFTCYSA-N 1 0 568.700 2.527 1 0 KFAFRO CS(=O)(=O)NC[C@@H]([NH3+])Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1 ZINC000095605246 562781470 /nfs/dbraw/zinc/78/14/70/562781470.db2.gz WFHWLCVJBVCKQV-NSHDSACASA-N 1 0 588.205 2.813 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095606513 562782108 /nfs/dbraw/zinc/78/21/08/562782108.db2.gz HWAZMIAWRKMLMG-ZYADHFCISA-N 1 0 792.341 2.851 1 0 KFAFRO CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCCCO2)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000095606806 562782437 /nfs/dbraw/zinc/78/24/37/562782437.db2.gz SUTHRDXPYLQKLS-YXAXHVAJSA-N 1 0 788.987 2.842 1 0 KFAFRO O=C(CN1CCC([NH+]2CCCCC2)CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O ZINC000095607026 562782593 /nfs/dbraw/zinc/78/25/93/562782593.db2.gz KGHTWDQPGSOHJN-BPSUTHQGSA-N 1 0 788.994 2.605 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccncc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095610865 562784653 /nfs/dbraw/zinc/78/46/53/562784653.db2.gz XKZFFLCLGOMUDT-WRYLXVNMSA-N 1 0 708.890 2.703 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccncc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095610866 562784667 /nfs/dbraw/zinc/78/46/67/562784667.db2.gz XKZFFLCLGOMUDT-VDNARDSYSA-N 1 0 708.890 2.703 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095610987 562784758 /nfs/dbraw/zinc/78/47/58/562784758.db2.gz WBZOVLHSVQNZBM-WRYLXVNMSA-N 1 0 708.890 2.703 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000095610988 562784728 /nfs/dbraw/zinc/78/47/28/562784728.db2.gz WBZOVLHSVQNZBM-VDNARDSYSA-N 1 0 708.890 2.703 1 0 KFAFRO CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(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 562785412 /nfs/dbraw/zinc/78/54/12/562785412.db2.gz KHRCKBDVJUGFGI-NPHOHLEASA-N 1 0 753.795 2.592 1 0 KFAFRO COc1cncc(-c2cnc(C(C)(C)N3CCN(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 562785398 /nfs/dbraw/zinc/78/53/98/562785398.db2.gz KSEVURYZMHCLJR-QCAVSIQBSA-N 1 0 800.836 2.571 1 0 KFAFRO CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC(=O)NCc2cn(-c3ncccn3)cn2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000095612394 562785442 /nfs/dbraw/zinc/78/54/42/562785442.db2.gz JMPXNRNXGWGKCH-NUSKSFHSSA-N 1 0 817.913 2.826 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612466 562785496 /nfs/dbraw/zinc/78/54/96/562785496.db2.gz SVKCUBCWYZMHSZ-YRCZKMHPSA-N 1 0 798.370 2.912 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612467 562785539 /nfs/dbraw/zinc/78/55/39/562785539.db2.gz IXRGJOJDSANGGJ-CUPIEXAXSA-N 1 0 798.370 2.912 1 0 KFAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2CCCCN2C1=O ZINC000095613644 562786429 /nfs/dbraw/zinc/78/64/29/562786429.db2.gz KFHNSIZACLSCMN-SODGFMKBSA-N 1 0 797.014 2.795 1 0 KFAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095613794 562786493 /nfs/dbraw/zinc/78/64/93/562786493.db2.gz TWDFHSVNGCHVCF-BQYLNSIHSA-N 1 0 822.367 2.616 1 0 KFAFRO CC(C)C[C@@H]1C[NH2+][C@@H](CC2CCCCC2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 ZINC000095614577 562786738 /nfs/dbraw/zinc/78/67/38/562786738.db2.gz YMJSHBCDXDDCQD-GPGBMJNMSA-N 1 0 785.003 2.652 1 0 KFAFRO Nc1[nH]c([C@@]2(C=CCNC(=O)c3cc(Br)c(Br)[nH]3)NC(N)=NC2=O)c(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095615290 562787238 /nfs/dbraw/zinc/78/72/38/562787238.db2.gz AACKLUYHFHIQSO-OMVZTBPASA-N 1 0 792.085 2.767 1 0 KFAFRO Nc1[nH]c([C@]2(C=CCNC(=O)c3cc(Br)c(Br)[nH]3)NC(N)=NC2=O)c(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH+]1 ZINC000095615291 562787234 /nfs/dbraw/zinc/78/72/34/562787234.db2.gz AACKLUYHFHIQSO-LMINYUBXSA-N 1 0 792.085 2.767 1 0 KFAFRO CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](C(C)C)C1=O ZINC000095615315 562787236 /nfs/dbraw/zinc/78/72/36/562787236.db2.gz SUZIFVSOOKUPKE-PVHODMMVSA-N 1 0 518.633 2.901 1 0 KFAFRO CC(C)C[C@H](/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095615513 562787328 /nfs/dbraw/zinc/78/73/28/562787328.db2.gz OXILFLCUDLSQBZ-WHECAKDPSA-N 1 0 781.934 2.944 1 0 KFAFRO CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(N)=O)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095616186 562787812 /nfs/dbraw/zinc/78/78/12/562787812.db2.gz QRUFGSMGQDVXLC-INUQCCBTSA-N 1 0 794.010 2.791 1 0 KFAFRO CC(C)C[C@@H](C(=O)N[C@H](CCc1ccccc1)C(N)=O)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095616187 562787818 /nfs/dbraw/zinc/78/78/18/562787818.db2.gz QRUFGSMGQDVXLC-ZXDPXKFWSA-N 1 0 794.010 2.791 1 0 KFAFRO CC(C)C[C@@H](C(=O)N[C@@H](CCc1ccccc1)C(N)=O)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095616188 562787819 /nfs/dbraw/zinc/78/78/19/562787819.db2.gz QRUFGSMGQDVXLC-BEDOFXKJSA-N 1 0 794.010 2.791 1 0 KFAFRO CC(C)C[C@@H](C(=O)N[C@H](CCc1ccccc1)C(N)=O)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095616189 562787825 /nfs/dbraw/zinc/78/78/25/562787825.db2.gz QRUFGSMGQDVXLC-DIMMNCSOSA-N 1 0 794.010 2.791 1 0 KFAFRO C[NH+]1CCN(Cc2ccc(C(=O)NC3=C[C@H](Nc4nccc(-c5cccnc5)n4)[C@H](CO)C=C3)cc2)CC1 ZINC000095617637 571795592 /nfs/dbraw/zinc/79/55/92/571795592.db2.gz JBSTUPHUZMAVFU-IGKIAQTJSA-N 1 0 511.630 2.559 1 0 endogenous,world KFAFRO C[NH+]1CCN(Cc2ccc(C(=O)NC3=C[C@@H](Nc4nccc(-c5cccnc5)n4)[C@H](CO)C=C3)cc2)CC1 ZINC000095617638 571795580 /nfs/dbraw/zinc/79/55/80/571795580.db2.gz JBSTUPHUZMAVFU-RPLLCQBOSA-N 1 0 511.630 2.559 1 0 endogenous,world KFAFRO C[NH+]1CCN(Cc2ccc(C(=O)NC3=C[C@H](Nc4nccc(-c5cccnc5)n4)[C@@H](CO)C=C3)cc2)CC1 ZINC000095617639 571795477 /nfs/dbraw/zinc/79/54/77/571795477.db2.gz JBSTUPHUZMAVFU-SQHAQQRYSA-N 1 0 511.630 2.559 1 0 endogenous,world KFAFRO C[NH+]1CCN(Cc2ccc(C(=O)NC3=C[C@@H](Nc4nccc(-c5cccnc5)n4)[C@@H](CO)C=C3)cc2)CC1 ZINC000095617640 571795390 /nfs/dbraw/zinc/79/53/90/571795390.db2.gz JBSTUPHUZMAVFU-SHQCIBLASA-N 1 0 511.630 2.559 1 0 endogenous,world KFAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ncc(Br)cc2C1=O ZINC000095727063 562788712 /nfs/dbraw/zinc/78/87/12/562788712.db2.gz FJYJFBHUFAXUSK-WIEQDCTASA-N 1 0 506.397 2.925 1 0 KFAFRO COc1cc(C(=O)NCCCN2CCC[N@H+](CCCNC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000095755629 562788968 /nfs/dbraw/zinc/78/89/68/562788968.db2.gz PJPAIMWSKBWYCJ-UHFFFAOYSA-N 1 0 602.729 2.686 1 0 KFAFRO O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)ccc2F)O1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095886747 562790207 /nfs/dbraw/zinc/79/02/07/562790207.db2.gz OHWPIDRULPHQAQ-ZVXUPVLPSA-N 1 0 529.628 2.855 1 0 KFAFRO CN1C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCCC[NH+](C)C)CC[C@@H]21 ZINC000095891800 562790263 /nfs/dbraw/zinc/79/02/63/562790263.db2.gz CEZRXPDALLEUKW-SFLYRZDNSA-N 1 0 515.655 2.589 1 0 KFAFRO CN1C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H]2O[C@@H](CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000095892649 562790260 /nfs/dbraw/zinc/79/02/60/562790260.db2.gz HJSUWZUIIQDZFE-JREZCLDISA-N 1 0 584.677 2.890 1 0 KFAFRO CN1C(=O)c2cc(NS(=O)(=O)c3cccc(F)c3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCC[NH+]3CCCCC3)CC[C@H]21 ZINC000095893113 562790285 /nfs/dbraw/zinc/79/02/85/562790285.db2.gz TUUZOQPHVDGSNW-JBBQQGGESA-N 1 0 588.702 2.999 1 0 KFAFRO CC[N@@H+]1C[C@]2(OCC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14 ZINC000095910384 560058880 /nfs/dbraw/zinc/05/88/80/560058880.db2.gz LNLNPACYBBAULC-KVUDJWBSSA-N 1 0 540.701 2.773 1 0 biogenic,in-vitro KFAFRO CC[N@@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]12CC[C@@H](C[C@H]14)[C@@](O)(COC(=O)c1ccc(OC)c(OC)c1)[C@H]2O ZINC000095911413 560058237 /nfs/dbraw/zinc/05/82/37/560058237.db2.gz UDPBCPHMMKEEBT-ORCOCMDLSA-N 1 0 541.685 2.870 1 0 biogenic,in-vitro KFAFRO CC(C)=CCc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(CC=C(C)C)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913507 560056729 /nfs/dbraw/zinc/05/67/29/560056729.db2.gz PTOHHQZBABICAF-OWKCLNIISA-N 1 0 559.700 2.665 1 0 biogenic,in-vitro KFAFRO COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@H](O)[C@H](C2)[N@H+]3C)cc(OC)c1OC ZINC000095919224 560054653 /nfs/dbraw/zinc/05/46/53/560054653.db2.gz KOHAOVSIVQWVAQ-XGKUOZSJSA-N 1 0 587.622 2.726 1 0 biogenic,in-vitro KFAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N(CCOCCO)C(C)C ZINC000096167792 562790597 /nfs/dbraw/zinc/79/05/97/562790597.db2.gz BGMIURNKSCCCEA-UHFFFAOYSA-N 1 0 557.721 2.675 1 0 KFAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N(CCO)C(C)C ZINC000096167793 562790545 /nfs/dbraw/zinc/79/05/45/562790545.db2.gz WUZLPUALTPDLQU-UHFFFAOYSA-N 1 0 513.668 2.658 1 0 KFAFRO CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]42[C@@]3(O)C1 ZINC000096173314 562791375 /nfs/dbraw/zinc/79/13/75/562791375.db2.gz XZFHZDQHNXYJBV-ANYDQABYSA-N 1 0 600.137 2.977 1 0 KFAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(N3CCCCC3=O)c2)CC1 ZINC000096175789 562792042 /nfs/dbraw/zinc/79/20/42/562792042.db2.gz UPMVJVVBBLWOSP-MHZLTWQESA-N 1 0 610.781 2.532 1 0 KFAFRO CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccc(N)nc3)c2)CC1 ZINC000096175801 562792034 /nfs/dbraw/zinc/79/20/34/562792034.db2.gz CTACEOWUUWZAJV-MHZLTWQESA-N 1 0 605.765 2.659 1 0 KFAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC1(CO)CCCCC1 ZINC000096270483 562793214 /nfs/dbraw/zinc/79/32/14/562793214.db2.gz PYYMCPCEHVZIBZ-SFLYRZDNSA-N 1 0 537.145 2.931 1 0 KFAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC1(CO)CCCC1 ZINC000096270484 562793187 /nfs/dbraw/zinc/79/31/87/562793187.db2.gz LVTAAFUXHZCJIX-NWSQWKLXSA-N 1 0 523.118 2.541 1 0 KFAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(CC)(CC)CO ZINC000096270485 562793212 /nfs/dbraw/zinc/79/32/12/562793212.db2.gz LVGYOZLQPCBCIB-NWSQWKLXSA-N 1 0 525.134 2.787 1 0 KFAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1cc(OC)ccn1 ZINC000096270488 562793178 /nfs/dbraw/zinc/79/31/78/562793178.db2.gz RBMYKBJTURYGSP-AGHHOFFYSA-N 1 0 518.058 2.914 1 0 KFAFRO Cc1nc(-c2ccccn2)nc(NC[C@H](NC(=O)CC[NH+]2CCN(CCO)CC2)c2ccccc2)c1Cl ZINC000096271245 562793745 /nfs/dbraw/zinc/79/37/45/562793745.db2.gz YVZSXHDGUKDVQB-QHCPKHFHSA-N 1 0 524.069 2.770 1 0 KFAFRO O=C(c1ccc(F)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CC[C@H](O)C1 ZINC000096271610 562793845 /nfs/dbraw/zinc/79/38/45/562793845.db2.gz QUWJHBYTQZGSSF-SFTDATJTSA-N 1 0 504.986 2.895 1 0 KFAFRO CC(=O)N[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)C[NH+]2CCC3(Cc4cc(Cl)ccc4O3)CC2)C1 ZINC000096271615 562793807 /nfs/dbraw/zinc/79/38/07/562793807.db2.gz DXKZFWGECAGFGG-GMAHTHKFSA-N 1 0 544.048 2.606 1 0 KFAFRO O=C(c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CCC(O)CC1 ZINC000096271621 562793825 /nfs/dbraw/zinc/79/38/25/562793825.db2.gz XVTZPWHNTXWCMM-QFIPXVFZSA-N 1 0 517.022 2.852 1 0 KFAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH2+]CC(=O)[O-])C(c2ccccc2)c2ccccc2)s1 ZINC000096283119 562794788 /nfs/dbraw/zinc/79/47/88/562794788.db2.gz BIHPYGVYKSQDLA-OFVILXPXSA-N 1 0 533.654 2.514 1 0 KFAFRO CCCc1sc(-c2ccc(OC)c(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)[nH+]1 ZINC000096283892 562795050 /nfs/dbraw/zinc/79/50/50/562795050.db2.gz VWMTUHOSEYDVPP-UHFFFAOYSA-N 1 0 524.694 2.946 1 0 in-vitro KFAFRO COc1cc(F)c2nccc([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CO3)c2c1 ZINC000096284031 562795054 /nfs/dbraw/zinc/79/50/54/562795054.db2.gz OCZXFLPYVJPVBO-KDBXJUNGSA-N 1 0 514.579 2.553 1 0 KFAFRO COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4ccc5c(n4)NC(=O)CS5)CO3)c2c1 ZINC000096284032 562795027 /nfs/dbraw/zinc/79/50/27/562795027.db2.gz DNYLEYUAAXOKIE-KDBXJUNGSA-N 1 0 514.579 2.553 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc32)c2ccccc2OC12CCOCC2 ZINC000096285023 562795362 /nfs/dbraw/zinc/79/53/62/562795362.db2.gz PCTAPXHACYCSMY-AVRWGWEMSA-N 1 0 504.587 2.811 1 0 KFAFRO Cc1nnc2n1-c1sccc1C(=O)N(C1CCN(C(=O)C3(F)CC[NH+](Cc4ccnc(N)c4)CC3)CC1)C2 ZINC000096285178 562795482 /nfs/dbraw/zinc/79/54/82/562795482.db2.gz CTGSDVZVJSPCBE-UHFFFAOYSA-N 1 0 538.653 2.566 1 0 KFAFRO Cc1nnc2n1-c1sccc1CN(C1CCN(C(=O)C3(F)CC[NH+](Cc4ccnc(N)c4)CC3)CC1)C2 ZINC000096285179 562795464 /nfs/dbraw/zinc/79/54/64/562795464.db2.gz UADYGGCZODNWRD-UHFFFAOYSA-N 1 0 524.670 2.925 1 0 KFAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5ncccn5)c4=O)CC3)CC2)ccn1 ZINC000096285303 562795466 /nfs/dbraw/zinc/79/54/66/562795466.db2.gz ASYPSYLJDLVBFQ-UHFFFAOYSA-N 1 0 530.608 2.774 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc32)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C ZINC000096285516 562795779 /nfs/dbraw/zinc/79/57/79/562795779.db2.gz PGECROXJANTNTJ-OSOCVKALSA-N 1 0 550.681 2.554 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CN(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc32)C1=O ZINC000096285518 562795777 /nfs/dbraw/zinc/79/57/77/562795777.db2.gz ADRJVDXZPHWNKH-JTSKRJEESA-N 1 0 631.549 2.628 1 0 KFAFRO CCCS(=O)(=O)Nc1ccc2c(c1)CC[C@H](C(=O)N(C)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1)O2 ZINC000096900225 562796715 /nfs/dbraw/zinc/79/67/15/562796715.db2.gz CFVDZEBIIWCJDD-JBRSBNLGSA-N 1 0 501.649 2.798 1 0 KFAFRO COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)[C@H](C(=O)NCCOCCOCCOCCOCCOCCOC[NH3+])[C@@H](c3ccccc3)[C@]1(c1ccc(Br)cc1)O2 ZINC000096900378 562796858 /nfs/dbraw/zinc/79/68/58/562796858.db2.gz XYSBNFKDEBCMRS-XYSFBXLGSA-N 1 0 819.743 2.848 1 0 KFAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@@H]3CCCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096901579 562797142 /nfs/dbraw/zinc/79/71/42/562797142.db2.gz WDYSBBZZTXBEOS-FZRUMGDYSA-N 1 0 601.722 2.729 1 0 KFAFRO CS(=O)(=O)Nc1cccc(NC(=O)CN2CCN(C(=O)C[C@H]([NH3+])Cc3ccc(F)c(F)c3)[C@@H](Cc3ccccc3)C2)c1 ZINC000096901970 562797204 /nfs/dbraw/zinc/79/72/04/562797204.db2.gz PUKARVRQDSPFPB-BVAGGSTKSA-N 1 0 599.704 2.990 1 0 KFAFRO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]1CCC[NH2+]1)OC2 ZINC000096902609 562797530 /nfs/dbraw/zinc/79/75/30/562797530.db2.gz FSSKSBYZVZNDSL-XAEBVXPFSA-N 1 0 612.370 2.896 1 0 KFAFRO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]1CCC[NH2+]1)OC2 ZINC000096902610 562797538 /nfs/dbraw/zinc/79/75/38/562797538.db2.gz FSSKSBYZVZNDSL-OTYCYWHQSA-N 1 0 612.370 2.896 1 0 KFAFRO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]1CCC[NH2+]1)OC2 ZINC000096902759 562797620 /nfs/dbraw/zinc/79/76/20/562797620.db2.gz FSSKSBYZVZNDSL-MGHYFECBSA-N 1 0 612.370 2.896 1 0 KFAFRO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]1CCC[NH2+]1)OC2 ZINC000096902760 562797615 /nfs/dbraw/zinc/79/76/15/562797615.db2.gz FSSKSBYZVZNDSL-ZONPGENVSA-N 1 0 612.370 2.896 1 0 KFAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096902894 562797721 /nfs/dbraw/zinc/79/77/21/562797721.db2.gz LHXYNKYCJVHHFO-JNSKMMGSSA-N 1 0 647.776 2.717 1 0 KFAFRO C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096904719 562798473 /nfs/dbraw/zinc/79/84/73/562798473.db2.gz LHXYNKYCJVHHFO-YWNCIPKLSA-N 1 0 647.776 2.717 1 0 KFAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000096907671 562799178 /nfs/dbraw/zinc/79/91/78/562799178.db2.gz KHUMWLNIBHSKLJ-SAKABTEHSA-N 1 0 613.745 2.905 1 0 KFAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(-c2cccc(N)c2)cc1)NC(=O)OCc1ccccc1 ZINC000096909260 562799548 /nfs/dbraw/zinc/79/95/48/562799548.db2.gz CWWZUEUMWSLBBF-UIOOFZCWSA-N 1 0 517.630 2.872 1 0 KFAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 ZINC000096909419 562799608 /nfs/dbraw/zinc/79/96/08/562799608.db2.gz SDYIIAPKIAEBGD-DTXPUJKBSA-N 1 0 612.731 2.832 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1c[nH]c2ccccc12)C(C)(C)C ZINC000096910330 562799952 /nfs/dbraw/zinc/79/99/52/562799952.db2.gz YIKOZEICLHDCEW-PISWEHOVSA-N 1 0 503.647 2.876 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)NCc1c[nH]c2ccccc12)C(C)(C)C ZINC000096910335 562799983 /nfs/dbraw/zinc/79/99/83/562799983.db2.gz WLQGMHPCQZOKGJ-OXCRQBJNSA-N 1 0 533.673 2.971 1 0 KFAFRO OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@@H+]1CCCCCCCCCCn1cc(COCC23CC4CC(CC(C4)C2)C3)nn1 ZINC000096911260 562800158 /nfs/dbraw/zinc/80/01/58/562800158.db2.gz DUXBGDVYIQLMGX-QSQLTXGKSA-N 1 0 548.769 2.891 1 0 KFAFRO CCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915691 562801073 /nfs/dbraw/zinc/80/10/73/562801073.db2.gz GCCLPURMYVYMCP-CRNKYVSFSA-N 1 0 577.770 2.899 1 0 KFAFRO CC[C@H](C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915703 562801085 /nfs/dbraw/zinc/80/10/85/562801085.db2.gz DFTNYAVXFHBLGZ-HNTGQZGLSA-N 1 0 577.770 2.755 1 0 KFAFRO CCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915704 562801039 /nfs/dbraw/zinc/80/10/39/562801039.db2.gz BZGUULBZAAUULJ-QYOOZWMWSA-N 1 0 543.753 2.847 1 0 KFAFRO CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(N)=O)[C@@H](C)CC ZINC000096915707 562801071 /nfs/dbraw/zinc/80/10/71/562801071.db2.gz YXHNAXUAKSAPAX-KLSDWBHSSA-N 1 0 543.753 2.703 1 0 KFAFRO O=C1CCCCOc2cc(F)cc(c2)C[C@@H]([C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)NC(=O)CN1 ZINC000096915719 562801049 /nfs/dbraw/zinc/80/10/49/562801049.db2.gz AASYDZTXTVEBFE-FCHUYYIVSA-N 1 0 511.516 2.701 1 0 KFAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@H]3CCCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921564 562801466 /nfs/dbraw/zinc/80/14/66/562801466.db2.gz WDYSBBZZTXBEOS-FWBQLJIOSA-N 1 0 601.722 2.729 1 0 KFAFRO O=C(Cc1cccc2ccccc21)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CC[NH2+]CC1 ZINC000096921948 562801597 /nfs/dbraw/zinc/80/15/97/562801597.db2.gz CJGCBUSLZZJIJT-UHFFFAOYSA-N 1 0 527.547 2.581 1 0 KFAFRO CC(C)OP(=O)(OC(C)C)N(CCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 ZINC000096926909 562802408 /nfs/dbraw/zinc/80/24/08/562802408.db2.gz XLOWKRPZLIFQOV-UEQSERJNSA-N 1 0 508.637 2.899 1 0 KFAFRO CC(=O)N1[C@@H](C(=O)Nc2ccccc2)[C@]2(O)CC[C@]13[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000096927054 562802509 /nfs/dbraw/zinc/80/25/09/562802509.db2.gz WNDQBUCUPIAKOK-QRYRVJJISA-N 1 0 515.610 2.565 1 0 KFAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)OCOC(=O)C(C)(C)C)c4)C3)[C@H](C)[C@H]12 ZINC000096933236 562803567 /nfs/dbraw/zinc/80/35/67/562803567.db2.gz OHNSKLJDHZBFFI-OHUINNRQSA-N 1 0 703.811 2.952 1 0 KFAFRO C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)cc1 ZINC000096933673 562803641 /nfs/dbraw/zinc/80/36/41/562803641.db2.gz BMYBPXJXNNXUJF-UHFFFAOYSA-N 1 0 512.574 2.804 1 0 KFAFRO C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000096933674 562803636 /nfs/dbraw/zinc/80/36/36/562803636.db2.gz YJAJTLZIWHYGPF-UHFFFAOYSA-N 1 0 512.574 2.804 1 0 KFAFRO COc1ccc2cc3[n+](cc2c1OCCOCCOCCN1CCOCC1)CCc1cc2c(cc1-3)OCO2 ZINC000096934148 562803776 /nfs/dbraw/zinc/80/37/76/562803776.db2.gz JZOVSDZJALNSFH-UHFFFAOYSA-N 1 0 523.606 2.832 1 0 KFAFRO NC(=[NH2+])N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000096941689 562805003 /nfs/dbraw/zinc/80/50/03/562805003.db2.gz ITTXXJPDPMIZNK-DYTOPAQESA-N 1 0 662.791 2.753 1 0 KFAFRO COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=[NH2+])NC(=O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000098208253 562805945 /nfs/dbraw/zinc/80/59/45/562805945.db2.gz IZIUZEPBXLRZLW-JOCHJYFZSA-N 1 0 534.613 2.832 1 0 in-vitro KFAFRO C[NH+](C)[C@H]1CCN(C(=O)[C@H](CNC(=O)c2ccc(Cl)s2)NS(=O)(=O)c2cccc(N3CCCCC3=O)c2OC(F)F)C1 ZINC000098208578 562805996 /nfs/dbraw/zinc/80/59/96/562805996.db2.gz GMYAFDWQODYJNI-IRXDYDNUSA-N 1 0 648.154 2.759 1 0 in-vitro KFAFRO C[C@@H](O)C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000100014382 562806134 /nfs/dbraw/zinc/80/61/34/562806134.db2.gz KNYQGXSYPIRBIP-UAMJCWFRSA-N 1 0 557.757 2.589 1 0 KFAFRO C[C@H](CO)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000100014388 562806109 /nfs/dbraw/zinc/80/61/09/562806109.db2.gz LJTXIIWEVACSSL-UAMJCWFRSA-N 1 0 557.757 2.589 1 0 KFAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C1C(=O)OCCNC(=O)c1ccccc1O ZINC000100022905 562806184 /nfs/dbraw/zinc/80/61/84/562806184.db2.gz CVQDHEPSIQJTPA-KUQXLSRWSA-N 1 0 583.619 2.681 1 0 KFAFRO C=C1[NH2+]C(=C)C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C1C(=O)OCCNC(=O)c1ccccc1O ZINC000100022912 562806187 /nfs/dbraw/zinc/80/61/87/562806187.db2.gz CVQDHEPSIQJTPA-BJKARUIISA-N 1 0 583.619 2.681 1 0 KFAFRO C[N@H+](CCCNC(=O)c1cccc2ccc(-c3ccncc3)nc21)CCCNc1n[n+]([O-])c2ccccc2[n+]1[O-] ZINC000100048137 562806367 /nfs/dbraw/zinc/80/63/67/562806367.db2.gz YGMODLDDQFSQBN-UHFFFAOYSA-N 1 0 538.612 2.666 1 0 KFAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000100844342 562808185 /nfs/dbraw/zinc/80/81/85/562808185.db2.gz CEBCZNYBCKWKKI-HSZRJFAPSA-N 1 0 554.550 2.758 1 0 KFAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000100844345 562808204 /nfs/dbraw/zinc/80/82/04/562808204.db2.gz CEBCZNYBCKWKKI-QHCPKHFHSA-N 1 0 554.550 2.758 1 0 KFAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000100844365 562808225 /nfs/dbraw/zinc/80/82/25/562808225.db2.gz UPQSZPLHQOSKNY-RUZDIDTESA-N 1 0 576.606 2.599 1 0 KFAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000100844369 562808257 /nfs/dbraw/zinc/80/82/57/562808257.db2.gz UPQSZPLHQOSKNY-VWLOTQADSA-N 1 0 576.606 2.599 1 0 KFAFRO CC(C)CCn1c2ccc(NC(=O)CN(C)C)cc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101037481 562808837 /nfs/dbraw/zinc/80/88/37/562808837.db2.gz HSTLIICRVDXPPR-UHFFFAOYSA-N 1 0 511.604 2.814 1 0 KFAFRO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000101088060 562809148 /nfs/dbraw/zinc/80/91/48/562809148.db2.gz OWMGOMSSWLIZMB-OAHLLOKOSA-N 1 0 500.958 2.972 1 0 KFAFRO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccccc2F)C[C@H]1C ZINC000101088908 562809090 /nfs/dbraw/zinc/80/90/90/562809090.db2.gz IGWMDXBTNRCDDS-OAHLLOKOSA-N 1 0 500.958 2.972 1 0 KFAFRO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2cccc(F)c2)C[C@H]1C ZINC000101090022 562809153 /nfs/dbraw/zinc/80/91/53/562809153.db2.gz YMLQYRUYKNZDCO-OAHLLOKOSA-N 1 0 500.958 2.972 1 0 KFAFRO CNc1c(=O)c(=O)c1Nc1cc(F)c(F)cc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000101090288 562809133 /nfs/dbraw/zinc/80/91/33/562809133.db2.gz LNUYMEZDDJOUIM-CQSZACIVSA-N 1 0 502.493 2.597 1 0 KFAFRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCN1CCOCC1 ZINC000101091106 562809136 /nfs/dbraw/zinc/80/91/36/562809136.db2.gz PDPPVAWOMSYKMX-HXUWFJFHSA-N 1 0 600.091 2.675 1 0 KFAFRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCC[NH+](C)C ZINC000101127230 562809374 /nfs/dbraw/zinc/80/93/74/562809374.db2.gz RGLLJHCUQKTKGW-GOSISDBHSA-N 1 0 558.054 2.904 1 0 KFAFRO COC(=O)[C@H](CCCC[NH3+])N[P@@](=O)(OC[C@H]1C=C[C@@H](n2cnc3c2ncnc3N)C1)Oc1ccccc1 ZINC000101425772 562810674 /nfs/dbraw/zinc/81/06/74/562810674.db2.gz RSRDIFBRJXTGHG-GEHGPKFOSA-N 1 0 529.538 2.990 1 0 KFAFRO COc1ccc([C@@]2(O)CC[C@@H]([NH2+][C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000101506826 562811082 /nfs/dbraw/zinc/81/10/82/562811082.db2.gz QXRPAJYCGSBMLK-WATLYSKOSA-N 1 0 520.552 2.860 1 0 KFAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN2CCC(CNS(C)(=O)=O)CC2)c1=O ZINC000102262712 562813074 /nfs/dbraw/zinc/81/30/74/562813074.db2.gz VFYJTXFWAIHDFH-OOSCYNTBSA-N 1 0 571.788 2.959 1 0 KFAFRO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000103173003 562814921 /nfs/dbraw/zinc/81/49/21/562814921.db2.gz VGPHQKKMYRPYAA-UHFFFAOYSA-N 1 0 504.422 2.514 1 0 KFAFRO Cn1c2nc(NCCC[NH+]3CCN(c4cccc(Cl)c4)CC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000103206689 562816440 /nfs/dbraw/zinc/81/64/40/562816440.db2.gz GBYVONMTMOYTBH-UHFFFAOYSA-N 1 0 536.080 2.954 1 0 KFAFRO C[C@@H](c1ccccc1)n1c(NCCC[NH+]2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000103207963 562816500 /nfs/dbraw/zinc/81/65/00/562816500.db2.gz XSXLRZYVPJZZHD-NRFANRHFSA-N 1 0 501.635 2.667 1 0 KFAFRO C[C@H](c1ccccc1)n1c(NCCC[NH+]2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000103207965 562816540 /nfs/dbraw/zinc/81/65/40/562816540.db2.gz XSXLRZYVPJZZHD-OAQYLSRUSA-N 1 0 501.635 2.667 1 0 KFAFRO Cn1c2nc(NCCC[NH+]3CCN(c4ccccc4)CC3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O ZINC000103207967 562816523 /nfs/dbraw/zinc/81/65/23/562816523.db2.gz SGBNDWNHODKCDZ-UHFFFAOYSA-N 1 0 515.662 2.691 1 0 KFAFRO COc1ccccc1N1CC[NH+](CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC1 ZINC000103209294 562816593 /nfs/dbraw/zinc/81/65/93/562816593.db2.gz IKDXYIQGRUNDAZ-UHFFFAOYSA-N 1 0 545.688 2.699 1 0 KFAFRO O=C1NC(=O)C(c2nn(CCC[NH+]3CCOCC3)c3ncccc23)=C1c1cn(CCCn2ccnc2)c2ccccc12 ZINC000103233907 562818518 /nfs/dbraw/zinc/81/85/18/562818518.db2.gz BOPFKGWHXAFXQK-UHFFFAOYSA-N 1 0 564.650 2.962 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000103240129 562819423 /nfs/dbraw/zinc/81/94/23/562819423.db2.gz FIXMENDEDQBFFM-LJHQKEROSA-N 1 0 573.738 2.942 1 0 KFAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261759 562821540 /nfs/dbraw/zinc/82/15/40/562821540.db2.gz UFAGYRQBKWVNNK-BUQHWBFDSA-N 1 0 553.626 2.577 1 0 KFAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261762 562821532 /nfs/dbraw/zinc/82/15/32/562821532.db2.gz UFAGYRQBKWVNNK-VVBLAGNDSA-N 1 0 553.626 2.577 1 0 KFAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261764 562821544 /nfs/dbraw/zinc/82/15/44/562821544.db2.gz UFAGYRQBKWVNNK-CMOHQRLCSA-N 1 0 553.626 2.577 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261766 562821519 /nfs/dbraw/zinc/82/15/19/562821519.db2.gz UFAGYRQBKWVNNK-JBWFOUKFSA-N 1 0 553.626 2.577 1 0 KFAFRO 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NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(N3CC[NH+](Cc4ccccc4)CC3)cc1)CC2 ZINC000103301369 562825020 /nfs/dbraw/zinc/82/50/20/562825020.db2.gz SKTIBCCMXUQAAL-UHFFFAOYSA-N 1 0 506.628 2.790 1 0 KFAFRO NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1cccc(N3CC[NH+](Cc4ccccc4)CC3)c1)CC2 ZINC000103301394 562825028 /nfs/dbraw/zinc/82/50/28/562825028.db2.gz FLPZTIQNSOHUEF-UHFFFAOYSA-N 1 0 506.628 2.790 1 0 KFAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)([C@H]4CC[C@@H]5CCCC[C@@H]5O4)C[C@]32[C@H](C)CC1 ZINC000103524465 560051296 /nfs/dbraw/zinc/05/12/96/560051296.db2.gz XYXMTAAUFIDOFH-LXBUBCTQSA-N 1 0 556.748 2.844 1 0 biogenic,in-vitro KFAFRO CNC(=[NH2+])N1C=C[C@]2(C[NH2+]CCO)CC[C@@H]3[C@](O)(COC4CCCCC4)C(C(=O)[O-])=C4C[C@H]5CC[C@@H](C)[C@]43[C@]52C1 ZINC000103524498 291760852 /nfs/dbraw/zinc/76/08/52/291760852.db2.gz YQAJXMGBHSVDCS-GDRLPVQGSA-N 1 0 556.748 2.846 1 0 biogenic,in-vitro KFAFRO CNC(=[NH2+])N1C=C[C@@]2(C[NH2+]CCO)C=C[C@H]3[C@@]45C(=C(C(=O)[O-])[C@]3(O)COC3CCCCC3)C[C@@H](CC[C@H]4C)[C@@]52C1 ZINC000103524501 291760667 /nfs/dbraw/zinc/76/06/67/291760667.db2.gz JWBQXFWVGNAISY-HPKWYFGLSA-N 1 0 554.732 2.622 1 0 biogenic,in-vitro KFAFRO C[C@@H]1[NH2+][C@H](CC[C@@H]2CCC[C@H](CO)CC[C@@](O)(CC(=O)[O-])C[NH2+][C@@]3(C)C[C@H](N)N[C@@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000103572534 565197013 /nfs/dbraw/zinc/19/70/13/565197013.db2.gz PQGJCJKVQTZUEW-PBERFPMLSA-N 1 0 602.861 2.833 1 0 biogenic,in-vitro KFAFRO O=C(c1nn([C@@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939371 562825520 /nfs/dbraw/zinc/82/55/20/562825520.db2.gz KBOCINOJPQBJHY-OAQYLSRUSA-N 1 0 528.675 2.763 1 0 KFAFRO O=C(c1nn([C@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939372 562825500 /nfs/dbraw/zinc/82/55/00/562825500.db2.gz KBOCINOJPQBJHY-NRFANRHFSA-N 1 0 528.675 2.763 1 0 KFAFRO 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0 KFAFRO CC(C)(c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1)[NH+]1CCOCC1 ZINC000112940472 562825593 /nfs/dbraw/zinc/82/55/93/562825593.db2.gz GHKXFDSAIKIJIH-UHFFFAOYSA-N 1 0 536.654 2.866 1 0 KFAFRO O=C(c1nn(-c2ccc(C[NH+]3CCC(F)CC3)nc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940575 562825544 /nfs/dbraw/zinc/82/55/44/562825544.db2.gz AVSOHEVDUAQIKU-UHFFFAOYSA-N 1 0 525.606 2.628 1 0 KFAFRO O=C(c1nn(-c2ccc(C3(C[NH+]4CCOCC4)CC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940769 562825653 /nfs/dbraw/zinc/82/56/53/562825653.db2.gz FJLPTFADSJAOAV-UHFFFAOYSA-N 1 0 548.665 2.663 1 0 KFAFRO O=C(c1nn([C@@H]2CC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112940816 562825602 /nfs/dbraw/zinc/82/56/02/562825602.db2.gz ALMGVNBNMXRCQV-LJQANCHMSA-N 1 0 532.638 2.512 1 0 KFAFRO O=C(c1nn(-c2ccc(C[NH2+]C3CCOCC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940882 562825703 /nfs/dbraw/zinc/82/57/03/562825703.db2.gz XMLRYSWFMKXBFZ-UHFFFAOYSA-N 1 0 522.627 2.568 1 0 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0 KFAFRO O=C(c1nn([C@H]2CCC[N@@H+](C3CCOCC3)CC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941376 562825753 /nfs/dbraw/zinc/82/57/53/562825753.db2.gz LMUCVOYUWPGAFT-FQEVSTJZSA-N 1 0 514.648 2.516 1 0 KFAFRO C[C@@H]1C[NH+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C[C@@H](C)O1 ZINC000112941393 562825781 /nfs/dbraw/zinc/82/57/81/562825781.db2.gz SUGRZLGNJSNCRI-WOJBJXKFSA-N 1 0 536.654 2.908 1 0 KFAFRO C[C@@H]1C[N@@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C[C@H](C)O1 ZINC000112941396 562825822 /nfs/dbraw/zinc/82/58/22/562825822.db2.gz SUGRZLGNJSNCRI-BGYRXZFFSA-N 1 0 536.654 2.908 1 0 KFAFRO C[C@H]1C[NH+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C[C@H](C)O1 ZINC000112941399 562825783 /nfs/dbraw/zinc/82/57/83/562825783.db2.gz SUGRZLGNJSNCRI-PMACEKPBSA-N 1 0 536.654 2.908 1 0 KFAFRO CC1(C)C[N@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)CCO1 ZINC000112941416 562825771 /nfs/dbraw/zinc/82/57/71/562825771.db2.gz WTQFUMYRIIWPGE-UHFFFAOYSA-N 1 0 536.654 2.910 1 0 KFAFRO O=C(c1nn([C@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112941473 562825819 /nfs/dbraw/zinc/82/58/19/562825819.db2.gz FYGDHTMAQTVJIR-FQEVSTJZSA-N 1 0 546.665 2.903 1 0 KFAFRO O=C(c1nn([C@H]2CC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112941687 562825828 /nfs/dbraw/zinc/82/58/28/562825828.db2.gz ALMGVNBNMXRCQV-IBGZPJMESA-N 1 0 532.638 2.512 1 0 KFAFRO O=C(c1nn(C2CC[NH+](CCC3CCOCC3)CC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941797 562825896 /nfs/dbraw/zinc/82/58/96/562825896.db2.gz PGOGWPYCIZVYBQ-UHFFFAOYSA-N 1 0 528.675 2.763 1 0 KFAFRO O=C(c1nn(-c2ccc(C[NH+]3CCCCC3)nc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941900 562825865 /nfs/dbraw/zinc/82/58/65/562825865.db2.gz HUKWEGRPUKJFER-UHFFFAOYSA-N 1 0 507.616 2.680 1 0 KFAFRO CO[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942186 562825953 /nfs/dbraw/zinc/82/59/53/562825953.db2.gz MNSRURCAGZOZFY-OAQYLSRUSA-N 1 0 522.627 2.520 1 0 KFAFRO CO[C@H]1CC[N@H+](Cc2ccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)cc2)C1 ZINC000112942189 562825946 /nfs/dbraw/zinc/82/59/46/562825946.db2.gz MNSRURCAGZOZFY-NRFANRHFSA-N 1 0 522.627 2.520 1 0 KFAFRO COC1CC[NH+](Cc2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)CC1 ZINC000112942953 562826018 /nfs/dbraw/zinc/82/60/18/562826018.db2.gz IHWJVVJNUJWQEC-UHFFFAOYSA-N 1 0 536.654 2.910 1 0 KFAFRO Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CC[NH+]4CCOCC4)CC3)cc2)CC1 ZINC000112969396 562826129 /nfs/dbraw/zinc/82/61/29/562826129.db2.gz XYSYJYTWKAIUAF-UHFFFAOYSA-N 1 0 508.667 2.954 1 0 KFAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OCCCN3CC[NH+](C)CC3)cc2)C1 ZINC000113091752 562826208 /nfs/dbraw/zinc/82/62/08/562826208.db2.gz DRVAOOSENREDSG-AREMUKBSSA-N 1 0 522.625 2.576 1 0 KFAFRO COCCCn1cc(CN(C(=O)[C@H]2C[NH2+]C[C@@H](C(=O)N[C@@H](CO)CC(C)C)C2)C2CC2)c2ccccc21 ZINC000113093288 562826212 /nfs/dbraw/zinc/82/62/12/562826212.db2.gz WYBYIBFXOQXYOK-WMTXJRDZSA-N 1 0 512.695 2.918 1 0 KFAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C4CC[NH+](C)CC4)CC3)c(C)c2)nc1NC1CCOCC1 ZINC000113476533 562826447 /nfs/dbraw/zinc/82/64/47/562826447.db2.gz MAIDOSCAFTWGAL-UHFFFAOYSA-N 1 0 536.725 2.997 1 0 KFAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)nc1NC1CCOCC1 ZINC000113477452 562826508 /nfs/dbraw/zinc/82/65/08/562826508.db2.gz OFDBOZAVRVSGHA-UHFFFAOYSA-N 1 0 522.698 2.689 1 0 KFAFRO CCc1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)c(C)c2)nc1NC1CCOCC1 ZINC000113478134 562826505 /nfs/dbraw/zinc/82/65/05/562826505.db2.gz HBCKGCXGOPTFAV-UHFFFAOYSA-N 1 0 536.725 2.997 1 0 KFAFRO COCCC[N@@H+]1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)Cc4c(C)noc4C)n[nH]c3C2(C)C)C[C@H]1C ZINC000114179263 562827775 /nfs/dbraw/zinc/82/77/75/562827775.db2.gz WOOBVWQSSAVTGO-CVEARBPZSA-N 1 0 501.632 2.798 1 0 KFAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(N5CCOCC5)cn4)n[nH]c3C2(C)C)[C@@H](C)C[N@H+]1C1CCOCC1 ZINC000114179514 562827816 /nfs/dbraw/zinc/82/78/16/562827816.db2.gz XQKANONIPXDQCC-UXHICEINSA-N 1 0 566.707 2.638 1 0 KFAFRO COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](C4CCOCC4)C[C@@H]2C)C3(C)C)nc1 ZINC000114182476 562827863 /nfs/dbraw/zinc/82/78/63/562827863.db2.gz DXTWWJCNFRMOSX-SJORKVTESA-N 1 0 511.627 2.810 1 0 KFAFRO Cn1ccnc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H]3CCC[N@@H+]3C[C@@H]1Cc1ccccc1)C2(C)C ZINC000114182656 562827895 /nfs/dbraw/zinc/82/78/95/562827895.db2.gz GZCSWGJJZGFDLO-PMACEKPBSA-N 1 0 502.623 2.958 1 0 KFAFRO CCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CCCOC)C[C@@H]2C)C3(C)C)n(C)n1 ZINC000114183204 562827881 /nfs/dbraw/zinc/82/78/81/562827881.db2.gz ZZSXHBPUUSTVHU-SJORKVTESA-N 1 0 500.648 2.560 1 0 KFAFRO Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)n(C)n1 ZINC000114183781 562827906 /nfs/dbraw/zinc/82/79/06/562827906.db2.gz FPKYEGCSKUUKGX-MSOLQXFVSA-N 1 0 512.659 2.696 1 0 KFAFRO NC(=O)c1cc(OCCCN2CC[NH+](CCO)CC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 ZINC000114349492 562828095 /nfs/dbraw/zinc/82/80/95/562828095.db2.gz BJLXYCDZTRNOAH-UHFFFAOYSA-N 1 0 532.567 2.738 1 0 KFAFRO CCC[C@H](O)[C@H](C[NH2+]CC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000114399058 562828230 /nfs/dbraw/zinc/82/82/30/562828230.db2.gz OKIJQELRSBSEJX-PMACEKPBSA-N 1 0 517.593 2.857 1 0 KFAFRO CCC[C@H](O)[C@H](C[NH2+]CC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000114401666 562828231 /nfs/dbraw/zinc/82/82/31/562828231.db2.gz BQUPZWGSYOWEQM-PMACEKPBSA-N 1 0 515.577 2.611 1 0 KFAFRO CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CC[NH2+]C[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 ZINC000114570150 562828311 /nfs/dbraw/zinc/82/83/11/562828311.db2.gz RIXSFNWLADAXSB-PMERELPUSA-N 1 0 621.760 2.799 1 0 KFAFRO CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)sc1C[NH+](C)C ZINC000114774526 562828482 /nfs/dbraw/zinc/82/84/82/562828482.db2.gz HBMJTHXZFIHVOX-IBGZPJMESA-N 1 0 502.637 2.808 1 0 KFAFRO CCc1cc(-c2noc(-c3cc(C)c(C[N@@H+](C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000114774576 562828486 /nfs/dbraw/zinc/82/84/86/562828486.db2.gz SQCHEXZMUPJZER-IBGZPJMESA-N 1 0 502.637 2.944 1 0 KFAFRO Cc1cc(NC(=O)c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)n(CC[NH+](C)C)n1 ZINC000115174078 562828783 /nfs/dbraw/zinc/82/87/83/562828783.db2.gz OUVHVYXSNDBYAJ-QGZVFWFLSA-N 1 0 519.576 2.853 1 0 KFAFRO C[NH+](C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCS(=O)(=O)CC5)c4n3)nn2)CC1 ZINC000117685962 562829807 /nfs/dbraw/zinc/82/98/07/562829807.db2.gz CFPLJCHFECHZEX-UHFFFAOYSA-N 1 0 521.651 2.793 1 0 KFAFRO CCc1nn(Cc2ccn(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117885190 562829977 /nfs/dbraw/zinc/82/99/77/562829977.db2.gz LOEBIRUSICDDGW-UHFFFAOYSA-N 1 0 541.660 2.907 1 0 KFAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@@H]5C[NH2+]C[C@H]5O)ccn43)c12 ZINC000117885202 562829948 /nfs/dbraw/zinc/82/99/48/562829948.db2.gz OABJXDGOWMDYPB-JWQCQUIFSA-N 1 0 511.586 2.962 1 0 KFAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5C[NH2+]C[C@@H]5O)ccn43)c12 ZINC000117885813 562829965 /nfs/dbraw/zinc/82/99/65/562829965.db2.gz OABJXDGOWMDYPB-DQEYMECFSA-N 1 0 511.586 2.962 1 0 KFAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@H]5COC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CCCC1 ZINC000118590985 562830408 /nfs/dbraw/zinc/83/04/08/562830408.db2.gz CPPBJYRMEXUZEP-VQTJNVASSA-N 1 0 518.622 2.590 1 0 KFAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)N5C(=O)[C@@H]4CCC[NH2+]4)cn3)nc2n1C1CCCC1 ZINC000118597280 562830435 /nfs/dbraw/zinc/83/04/35/562830435.db2.gz AZLGBASLSPFZCV-VXNXHJTFSA-N 1 0 585.713 2.954 1 0 KFAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3cccnc3O[C@@H](C)CCNS(C)(=O)=O)c12 ZINC000118821584 562830764 /nfs/dbraw/zinc/83/07/64/562830764.db2.gz JVGLDMFEBLZAIX-HNNXBMFYSA-N 1 0 535.696 2.526 1 0 KFAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3cccnc3O[C@H](C)CCNS(C)(=O)=O)c12 ZINC000118821587 562830748 /nfs/dbraw/zinc/83/07/48/562830748.db2.gz JVGLDMFEBLZAIX-OAHLLOKOSA-N 1 0 535.696 2.526 1 0 KFAFRO C[C@@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000118937034 571846732 /nfs/dbraw/zinc/84/67/32/571846732.db2.gz YEWUMIMAJWFDQG-NZNMRBDDSA-N 1 0 595.818 2.539 1 0 endogenous,in-man KFAFRO C[C@H](CC[C@@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000118937035 571846743 /nfs/dbraw/zinc/84/67/43/571846743.db2.gz YEWUMIMAJWFDQG-XFNVKORGSA-N 1 0 595.818 2.539 1 0 endogenous,in-man KFAFRO C[C@@H](CC[C@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000118937036 571846517 /nfs/dbraw/zinc/84/65/17/571846517.db2.gz YEWUMIMAJWFDQG-PBXUDPEASA-N 1 0 595.818 2.539 1 0 endogenous,in-man KFAFRO C[C@H](CC[C@]1(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H]([NH3+])CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000118937037 571846643 /nfs/dbraw/zinc/84/66/43/571846643.db2.gz YEWUMIMAJWFDQG-PRUSYKFRSA-N 1 0 595.818 2.539 1 0 endogenous,in-man KFAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH3+])ncnc2Nc1ccc(Br)cc1F ZINC000137919773 562831658 /nfs/dbraw/zinc/83/16/58/562831658.db2.gz RHNPQUDHHOMHDW-UHFFFAOYSA-N 1 0 503.332 2.853 1 0 KFAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 ZINC000139301527 562832413 /nfs/dbraw/zinc/83/24/13/562832413.db2.gz KZYUPKXEHNEFIY-NRDMVMEKSA-N 1 0 517.614 2.958 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3cccc(C[N@@H+]4CC[C@H](O)C4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139402447 562832455 /nfs/dbraw/zinc/83/24/55/562832455.db2.gz UZRLDNGLTKLAIO-JTAQYXEDSA-N 1 0 504.635 2.709 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139403137 562832485 /nfs/dbraw/zinc/83/24/85/562832485.db2.gz UZRLDNGLTKLAIO-SXWKCWPCSA-N 1 0 504.635 2.709 1 0 KFAFRO CC[C@H](C)[C@H]1C(=O)N(CCCc2ccccc2)CC(=O)N1CC(=O)N[C@@H](C[C@H]1CCCN(C(N)=[NH2+])C1)C(=O)c1nccs1 ZINC000139538016 562832592 /nfs/dbraw/zinc/83/25/92/562832592.db2.gz CYTMVCMTUQPYOF-DQHZSEARSA-N 1 0 609.797 2.524 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139602066 562832647 /nfs/dbraw/zinc/83/26/47/562832647.db2.gz XAEYPAFAQKJQKG-SXWKCWPCSA-N 1 0 504.635 2.709 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(C[N@@H+]4CC[C@@H](O)C4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139608334 562832691 /nfs/dbraw/zinc/83/26/91/562832691.db2.gz ZGJDZBXUROQLEC-CNNODRBYSA-N 1 0 522.625 2.848 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(CN4CC[NH2+]CC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139613749 562832704 /nfs/dbraw/zinc/83/27/04/562832704.db2.gz IWIVDZGAEMRWOA-PMACEKPBSA-N 1 0 521.641 2.686 1 0 KFAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CCC([NH3+])CC3)nc2N)cc1I ZINC000139800188 562832789 /nfs/dbraw/zinc/83/27/89/562832789.db2.gz AFVIDYAMXPSUBB-UHFFFAOYSA-N 1 0 540.406 2.949 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000139800409 562832770 /nfs/dbraw/zinc/83/27/70/562832770.db2.gz XAEYPAFAQKJQKG-JTAQYXEDSA-N 1 0 504.635 2.709 1 0 KFAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 ZINC000140185406 562832930 /nfs/dbraw/zinc/83/29/30/562832930.db2.gz ZOFFAXRBJWRDRL-MXNKGDRCSA-N 1 0 506.713 2.632 1 0 KFAFRO CCN(C)C(=O)c1ccc(CNc2nc(NCCN3CC[NH+](C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1 ZINC000140413642 562833077 /nfs/dbraw/zinc/83/30/77/562833077.db2.gz QRTSVJFTKXAQHR-UHFFFAOYSA-N 1 0 603.772 2.815 1 0 KFAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000141065012 562833437 /nfs/dbraw/zinc/83/34/37/562833437.db2.gz PDYZZHMMAWNLAJ-ZJSXRUAMSA-N 1 0 501.672 2.737 1 0 KFAFRO COc1cc2c(cc1OC)CN(c1nc(NCCN3CC[NH+](C)CC3)nc(NCc3ccccc3)n1)CC2 ZINC000141098775 562833476 /nfs/dbraw/zinc/83/34/76/562833476.db2.gz YWYWVKRYAFRKOY-UHFFFAOYSA-N 1 0 518.666 2.723 1 0 KFAFRO CN(c1ncccc1CNc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000142878313 562834398 /nfs/dbraw/zinc/83/43/98/562834398.db2.gz FPVJKXNDQIMNDH-UHFFFAOYSA-N 1 0 521.651 2.628 1 0 KFAFRO CN(c1ncccc1Nc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000142893745 562834392 /nfs/dbraw/zinc/83/43/92/562834392.db2.gz MZPCTYNOURQWSN-UHFFFAOYSA-N 1 0 507.624 2.759 1 0 KFAFRO C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@@H]2C)C[NH2+]1 ZINC000143238223 562834813 /nfs/dbraw/zinc/83/48/13/562834813.db2.gz XIQKDUKFFKQZAO-TYBLODHISA-N 1 0 509.670 2.819 1 0 KFAFRO CN(C)c1ncc([C@H]2CC[C@@H]([NH+]3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 ZINC000143357949 562834960 /nfs/dbraw/zinc/83/49/60/562834960.db2.gz RMIZYUMWEUFFGE-OQIWPSSASA-N 1 0 504.557 2.818 1 0 KFAFRO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CC[N@@H+]1C1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000143510166 562835121 /nfs/dbraw/zinc/83/51/21/562835121.db2.gz BEDXTIAESLFPBE-PKOBYXMFSA-N 1 0 522.481 2.563 1 0 KFAFRO C[N@@H+]1CCn2nc(Nc3nn(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)cc3C(N)=O)cc2C1 ZINC000143576006 562835163 /nfs/dbraw/zinc/83/51/63/562835163.db2.gz AZRWPDIDSMVLCZ-UHFFFAOYSA-N 1 0 585.644 2.985 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC ZINC000143600531 562835187 /nfs/dbraw/zinc/83/51/87/562835187.db2.gz WPSURGXSNWIBBJ-BJKOFHAPSA-N 1 0 533.691 2.669 1 0 in-vitro KFAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(CC(C)C)c2cc(OCCCO)c(C(C)C)cn2)[C@@H]1O ZINC000143794216 562835278 /nfs/dbraw/zinc/83/52/78/562835278.db2.gz PAIMMCIYMXYNIS-KEHCTXMOSA-N 1 0 564.768 2.719 1 0 KFAFRO COC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)O[C@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000143823407 562835266 /nfs/dbraw/zinc/83/52/66/562835266.db2.gz WDTYFVSDCBXMMJ-XUZZJYLKSA-N 1 0 500.555 2.908 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)CC2CCCC2)C(C)C)ccc1OC ZINC000143827836 562835315 /nfs/dbraw/zinc/83/53/15/562835315.db2.gz SCYMXLYMBODESZ-XZOQPEGZSA-N 1 0 525.712 2.659 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)N[C@@H](CO)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000143903622 562835418 /nfs/dbraw/zinc/83/54/18/562835418.db2.gz QITGTFAGFLQGSR-QSFXBCCZSA-N 1 0 519.389 2.658 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)N[C@H](CO)c2cc(Cl)cc(Cl)c2)c2ccccc21 ZINC000143903824 562835421 /nfs/dbraw/zinc/83/54/21/562835421.db2.gz QITGTFAGFLQGSR-CVAIRZPRSA-N 1 0 519.389 2.658 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc21 ZINC000143994291 562835587 /nfs/dbraw/zinc/83/55/87/562835587.db2.gz AWOUNODDBWSXDY-LIRRHRJNSA-N 1 0 504.469 2.717 1 0 KFAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)[C@@H]1O ZINC000144064999 562835741 /nfs/dbraw/zinc/83/57/41/562835741.db2.gz XZBALHQYVAVUBB-DAHKTCFSSA-N 1 0 562.752 2.880 1 0 KFAFRO CCc1nn2c(nc(C)cc2C)c1Cc1ccc(-c2nnc(C3CCN(C(=O)[C@H](CO)[NH2+]C)CC3)o2)cc1 ZINC000144134862 562835757 /nfs/dbraw/zinc/83/57/57/562835757.db2.gz ZVDIRDYLOZQUEA-DEOSSOPVSA-N 1 0 517.634 2.836 1 0 KFAFRO C[NH+]1CCN(CCN2CCN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)CC2)CC1 ZINC000144206860 562835928 /nfs/dbraw/zinc/83/59/28/562835928.db2.gz HKDWMAXYVMIUTE-UHFFFAOYSA-N 1 0 525.661 2.769 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@@H]2NS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC ZINC000144831875 562836650 /nfs/dbraw/zinc/83/66/50/562836650.db2.gz WPSURGXSNWIBBJ-RPWUZVMVSA-N 1 0 533.691 2.669 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)CCc2ccccc2)C(C)C)ccc1OC ZINC000145021353 562836865 /nfs/dbraw/zinc/83/68/65/562836865.db2.gz JTDFVYYKULTGQG-LOSJGSFVSA-N 1 0 547.718 2.711 1 0 KFAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2ccc(F)c(F)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000145745955 562837539 /nfs/dbraw/zinc/83/75/39/562837539.db2.gz RVSNGVUURYLGCO-LYAXWJQESA-N 1 0 537.554 2.853 1 0 KFAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(F)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000145751890 562837538 /nfs/dbraw/zinc/83/75/38/562837538.db2.gz LNRIBNIHPVEGRA-NVHWNKAKSA-N 1 0 519.564 2.714 1 0 KFAFRO COc1ccc(CC(=O)NC(=[NH2+])N[C@H](CC2CCCCC2)C(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000146105030 562838240 /nfs/dbraw/zinc/83/82/40/562838240.db2.gz DJZAYIHRUXCKNB-JOCHJYFZSA-N 1 0 548.648 2.722 1 0 KFAFRO CN(c1ncccc1Nc1cccn2nc(Nc3cccc(N4CC[NH+](C)CC4)c3)nc12)S(C)(=O)=O ZINC000146982964 562838998 /nfs/dbraw/zinc/83/89/98/562838998.db2.gz IOMQBBFVPYXWBH-UHFFFAOYSA-N 1 0 507.624 2.759 1 0 KFAFRO CN(c1ncccc1CNc1cccn2nc(Nc3cccc(N4CC[NH+](C)CC4)c3)nc12)S(C)(=O)=O ZINC000146996298 562839054 /nfs/dbraw/zinc/83/90/54/562839054.db2.gz WGUPYSJTXMOQKK-UHFFFAOYSA-N 1 0 521.651 2.628 1 0 KFAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc2c(NCc3cccnc3N(C)S(C)(=O)=O)cccn2n1 ZINC000147004544 562839077 /nfs/dbraw/zinc/83/90/77/562839077.db2.gz LLFGGQPZWNJFRT-UHFFFAOYSA-N 1 0 551.677 2.636 1 0 KFAFRO CNc1nc(Cl)c(Cl)c(N2CC[NH+](CCC3CCC(NC(=O)N4CCOCC4)CC3)CC2)n1 ZINC000147058539 562839083 /nfs/dbraw/zinc/83/90/83/562839083.db2.gz AXVHZOULLRVZMO-UHFFFAOYSA-N 1 0 500.475 2.938 1 0 KFAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)C3CC[NH2+]CC3)c2C)c(=O)[nH]1 ZINC000147080396 562839122 /nfs/dbraw/zinc/83/91/22/562839122.db2.gz NAVVYFVXSNATJE-UHFFFAOYSA-N 1 0 561.731 2.614 1 0 KFAFRO CSc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000147906459 562839783 /nfs/dbraw/zinc/83/97/83/562839783.db2.gz HNYWXTUFPHFELD-RTWAWAEBSA-N 1 0 509.598 2.718 1 0 KFAFRO CSc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000147907545 562839809 /nfs/dbraw/zinc/83/98/09/562839809.db2.gz HNYWXTUFPHFELD-SFTDATJTSA-N 1 0 509.598 2.718 1 0 KFAFRO NC(=[NH2+])c1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CC[C@H]2CN(S(=O)(=O)C(c3ccccc3)c3ccccc3)CC(=O)N21 ZINC000147917055 562839782 /nfs/dbraw/zinc/83/97/82/562839782.db2.gz YHXWUDONUMFBDD-URORMMCBSA-N 1 0 571.703 2.869 1 0 KFAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4ccc(=O)[nH]c4)cc2)c(O)c13 ZINC000148038619 562839951 /nfs/dbraw/zinc/83/99/51/562839951.db2.gz KXFPEIRGODSQCK-KVXGTOJUSA-N 1 0 527.621 2.702 1 0 KFAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cn[nH]c4)cc2)c(O)c13 ZINC000148042603 562839924 /nfs/dbraw/zinc/83/99/24/562839924.db2.gz QVGGPFMJWBVVPU-SUHSUELASA-N 1 0 500.599 2.737 1 0 KFAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc12 ZINC000148050431 562840033 /nfs/dbraw/zinc/84/00/33/562840033.db2.gz MCJSMAOEIRELKB-HOTGVXAUSA-N 1 0 513.610 2.877 1 0 KFAFRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1C[C@H]([NH3+])[C@@H](c3cc(F)ccc3F)N(Cc3cncc4cccnc43)C1)C2 ZINC000148259142 562840776 /nfs/dbraw/zinc/84/07/76/562840776.db2.gz AJVAWMWPWWAKLK-AMZDPNTKSA-N 1 0 539.612 2.571 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000148267409 562840794 /nfs/dbraw/zinc/84/07/94/562840794.db2.gz XVORGCBFHRBOEW-MBSDFSHPSA-N 1 0 504.925 2.950 1 0 KFAFRO NC(=O)n1cc(CC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2c(F)ccc(Cl)c2F)c2ccccc21 ZINC000148364330 562841143 /nfs/dbraw/zinc/84/11/43/562841143.db2.gz OLQAHMQSIFJPBP-CYFREDJKSA-N 1 0 521.927 2.627 1 0 KFAFRO COc1cc(Br)c(CC(=O)NC(=[NH2+])N[C@H](CC(C)C)C(=O)NCc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000148677093 562841628 /nfs/dbraw/zinc/84/16/28/562841628.db2.gz KLEHLFDSOCBYMG-LJQANCHMSA-N 1 0 587.479 2.561 1 0 KFAFRO COc1ccc2ncc(F)c(C[C@@](C)(O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149105453 562842085 /nfs/dbraw/zinc/84/20/85/562842085.db2.gz IXDHNCBZKJXEII-FKDZAPPDSA-N 1 0 523.565 2.669 1 0 KFAFRO COc1ccc2ncc(F)c(C[C@](C)(O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149105628 562842114 /nfs/dbraw/zinc/84/21/14/562842114.db2.gz IXDHNCBZKJXEII-JRFCFUNGSA-N 1 0 523.565 2.669 1 0 KFAFRO COc1ccc2ncc(F)c([C@@H](CO)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149117784 562842158 /nfs/dbraw/zinc/84/21/58/562842158.db2.gz LLJHFOUBOYXNFM-MCHNJAHVSA-N 1 0 523.565 2.841 1 0 KFAFRO COc1ccc2ncc(F)c([C@H](CO)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149117988 562842168 /nfs/dbraw/zinc/84/21/68/562842168.db2.gz LLJHFOUBOYXNFM-HYOVDPQQSA-N 1 0 523.565 2.841 1 0 KFAFRO CC[C@@H](NC(N)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149146030 562842276 /nfs/dbraw/zinc/84/22/76/562842276.db2.gz RSKLLXJGRIRPIT-DKSSEZFCSA-N 1 0 507.561 2.867 1 0 KFAFRO COc1ccc2ncc(F)c([C@@H](O)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149152947 562842263 /nfs/dbraw/zinc/84/22/63/562842263.db2.gz HPPWFRFBBQNSJX-XFXRKFMASA-N 1 0 509.538 2.799 1 0 KFAFRO COc1ccc2ncc(F)c([C@H](O)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149153178 562842267 /nfs/dbraw/zinc/84/22/67/562842267.db2.gz HPPWFRFBBQNSJX-GTANCFNGSA-N 1 0 509.538 2.799 1 0 KFAFRO CN(C)C(=O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149163000 562842361 /nfs/dbraw/zinc/84/23/61/562842361.db2.gz LIRNZJCTRSWRJY-UHFFFAOYSA-N 1 0 564.618 2.766 1 0 KFAFRO CC[C@H](NC(N)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149167398 562842344 /nfs/dbraw/zinc/84/23/44/562842344.db2.gz RSKLLXJGRIRPIT-YJLNNSPDSA-N 1 0 507.561 2.867 1 0 KFAFRO COc1ccc2ncc(F)c(C[C@H](OC)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149173499 562842416 /nfs/dbraw/zinc/84/24/16/562842416.db2.gz QPSASROYWRAKFK-HTFLBPPUSA-N 1 0 523.565 2.933 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCO)nc65)(CC3)OC4)nc2N1 ZINC000149176757 562842414 /nfs/dbraw/zinc/84/24/14/562842414.db2.gz HBISBEJOUCABCD-UHFFFAOYSA-N 1 0 523.565 2.670 1 0 KFAFRO CC[C@H](NS(C)(=O)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149178601 562842410 /nfs/dbraw/zinc/84/24/10/562842410.db2.gz ZJHVULPNTPUACY-CVAIRZPRSA-N 1 0 542.628 2.748 1 0 KFAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@@H]3CCOC(=O)N3)CC2)C1 ZINC000149179643 562842368 /nfs/dbraw/zinc/84/23/68/562842368.db2.gz CQJUPMATNNCEKQ-YJLNNSPDSA-N 1 0 506.529 2.918 1 0 KFAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@H]3CCOC(=O)N3)CC2)C1 ZINC000149179844 562842393 /nfs/dbraw/zinc/84/23/93/562842393.db2.gz CQJUPMATNNCEKQ-DKSSEZFCSA-N 1 0 506.529 2.918 1 0 KFAFRO COc1ccc2ncc(F)c([C@H]3OC(=O)O[C@@H]3C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149196267 562842451 /nfs/dbraw/zinc/84/24/51/562842451.db2.gz RQJYUMODSOHFKA-JIRKYJOESA-N 1 0 551.531 2.952 1 0 KFAFRO COc1ccc2ncc(F)c([C@@H]3OC(=O)O[C@H]3C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149196480 562842423 /nfs/dbraw/zinc/84/24/23/562842423.db2.gz RQJYUMODSOHFKA-SRZRKRBTSA-N 1 0 551.531 2.952 1 0 KFAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@@H]2CC[C@@H]([C@H]3CC=CC(=O)N3)CC2)C1 ZINC000149196895 562842444 /nfs/dbraw/zinc/84/24/44/562842444.db2.gz RFKJNPIHHOIIIS-MOXGXCLJSA-N 1 0 502.541 2.864 1 0 KFAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@@H]2CC[C@@H]([C@@H]3CC=CC(=O)N3)CC2)C1 ZINC000149197363 562842456 /nfs/dbraw/zinc/84/24/56/562842456.db2.gz RFKJNPIHHOIIIS-CVAIRZPRSA-N 1 0 502.541 2.864 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC7C[C@H](O)C[C@@H](O)C7)nc65)(CC3)OC4)nc2N1 ZINC000149227840 562842524 /nfs/dbraw/zinc/84/25/24/562842524.db2.gz JLRJCUORJXSDCV-UBCPGOQUSA-N 1 0 593.656 2.952 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC7C[C@@H](O)C[C@H](O)C7)nc65)(CC3)OC4)nc2N1 ZINC000149228250 562842481 /nfs/dbraw/zinc/84/24/81/562842481.db2.gz JLRJCUORJXSDCV-KSHSVXFMSA-N 1 0 593.656 2.952 1 0 KFAFRO COc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CC[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)n1 ZINC000149286741 562842554 /nfs/dbraw/zinc/84/25/54/562842554.db2.gz FIWPGMWTGHKROO-KRWDZBQOSA-N 1 0 511.627 2.669 1 0 KFAFRO COc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CC[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)nc1 ZINC000149476454 562842715 /nfs/dbraw/zinc/84/27/15/562842715.db2.gz ZSOCSFVBLLYYKL-KRWDZBQOSA-N 1 0 511.627 2.669 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 ZINC000150145883 562842892 /nfs/dbraw/zinc/84/28/92/562842892.db2.gz LNEXUTQVBGHTSN-LQOMHORXSA-N 1 0 509.573 2.627 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 ZINC000150163033 562842897 /nfs/dbraw/zinc/84/28/97/562842897.db2.gz ZUXKEPNGONWZIW-LQOMHORXSA-N 1 0 509.573 2.627 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 ZINC000150174366 562842902 /nfs/dbraw/zinc/84/29/02/562842902.db2.gz FGSQPFWVPCSNIJ-SOWZMLPHSA-N 1 0 509.573 2.627 1 0 KFAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 ZINC000150195793 562842946 /nfs/dbraw/zinc/84/29/46/562842946.db2.gz FGSQPFWVPCSNIJ-DSABBCAKSA-N 1 0 509.573 2.627 1 0 KFAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 ZINC000150208389 562842947 /nfs/dbraw/zinc/84/29/47/562842947.db2.gz VYECYXGJHTUACZ-LQOMHORXSA-N 1 0 509.573 2.627 1 0 KFAFRO CC[C@@H](C)[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2Oc3ccc(cc3)/C=C\NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]21)C(C)C)[NH+](C)C ZINC000150363377 565204135 /nfs/dbraw/zinc/20/41/35/565204135.db2.gz WUCBFSOLOVAHQC-GBPJDLGZSA-N 1 0 617.791 2.980 1 0 biogenic,in-vitro KFAFRO [NH3+]CCOCCOCCOCCOCCOCCOCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1 ZINC000150591568 562846283 /nfs/dbraw/zinc/84/62/83/562846283.db2.gz FSVIDKSCCDHODB-UHFFFAOYSA-N 1 0 688.844 2.803 1 0 KFAFRO CC(C)[C@H]1CN(CC[N@@H+]2CC[C@@H](O)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165237092 562849902 /nfs/dbraw/zinc/84/99/02/562849902.db2.gz YPIMOFNDTKQDDI-IFMALSPDSA-N 1 0 501.595 2.515 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OC ZINC000166213296 562850395 /nfs/dbraw/zinc/85/03/95/562850395.db2.gz RCXREJXZQYBNRM-LADGPHEKSA-N 1 0 533.691 2.836 1 0 in-vitro KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2cccc(OC)c2)C(C)C)ccc1OC ZINC000166263250 562850365 /nfs/dbraw/zinc/85/03/65/562850365.db2.gz GOYNCJHSKGUSLM-XUZZJYLKSA-N 1 0 549.690 2.536 1 0 KFAFRO COc1c(OC[C@H](O)C[NH+](C(C)C)C(C)C)ccc2c1N=C(NC(=O)c1cccnc1C)N1CCN=C21 ZINC000167554765 562850946 /nfs/dbraw/zinc/85/09/46/562850946.db2.gz RQQIKIRFUHHNNF-LJQANCHMSA-N 1 0 508.623 2.750 1 0 KFAFRO COc1c(OC[C@H](O)C[NH+](C(C)C)C(C)C)ccc2c1N=C(NC(=O)c1cncs1)N1CCN=C21 ZINC000167883775 562851101 /nfs/dbraw/zinc/85/11/01/562851101.db2.gz LEQWJSUYENZBBC-MRXNPFEDSA-N 1 0 500.625 2.504 1 0 KFAFRO C[NH+](C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 ZINC000167966166 562851188 /nfs/dbraw/zinc/85/11/88/562851188.db2.gz SXNOJQBCNAGJAS-IBGZPJMESA-N 1 0 584.666 2.957 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)NCc2nccs2)C(C)C)ccc1OC ZINC000168120104 562851238 /nfs/dbraw/zinc/85/12/38/562851238.db2.gz AMZSQJDRXBVKAV-SIKLNZKXSA-N 1 0 520.652 2.932 1 0 KFAFRO CCOC(=O)c1ccc([C@H]2CC[C@@H]([NH2+]C[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 ZINC000168130857 562851270 /nfs/dbraw/zinc/85/12/70/562851270.db2.gz WCPJDRQPTLGHOD-JBACZVJFSA-N 1 0 506.621 2.996 1 0 KFAFRO C[NH+]1CCN(CCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NCc2ccc(Br)cc2)C32CC2)CC1 ZINC000168330776 562851302 /nfs/dbraw/zinc/85/13/02/562851302.db2.gz ZVTRSXBYIXTFES-KAOXLYBCSA-N 1 0 515.496 2.647 1 0 KFAFRO C[NH+]1CCN(CCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168364207 562851345 /nfs/dbraw/zinc/85/13/45/562851345.db2.gz QUZOGJWPSIOIDY-CIAFKFPVSA-N 1 0 501.469 2.970 1 0 KFAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(C[C@@H]4CC4(F)F)c3C2=O)nc2ccccc12 ZINC000168371148 562851353 /nfs/dbraw/zinc/85/13/53/562851353.db2.gz HKOBPFKUFXOBBK-DLBZAZTESA-N 1 0 521.576 2.549 1 0 KFAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(C[C@H]4CC4(F)F)c3C2=O)nc2ccccc12 ZINC000168371256 562851326 /nfs/dbraw/zinc/85/13/26/562851326.db2.gz HKOBPFKUFXOBBK-IAGOWNOFSA-N 1 0 521.576 2.549 1 0 KFAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4ccccc4)c3C2=O)nc2ccccc12 ZINC000168374136 562851330 /nfs/dbraw/zinc/85/13/30/562851330.db2.gz MNNYDJITSGUEIZ-OAQYLSRUSA-N 1 0 521.629 2.943 1 0 KFAFRO C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(C[N@@H+]4CC[C@H](O)C4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000168996810 562851595 /nfs/dbraw/zinc/85/15/95/562851595.db2.gz ZGJDZBXUROQLEC-IPJJNNNSSA-N 1 0 522.625 2.848 1 0 KFAFRO COc1ccc2nccc([C@@H](O)CN3CC[C@H](NCc4nc5c(cc4Cl)OCC(=O)N5)[C@@H](F)C3)c2c1 ZINC000169295679 562852391 /nfs/dbraw/zinc/85/23/91/562852391.db2.gz WQMYUWUIHPTUEM-VCOUNFBDSA-N 1 0 515.973 2.858 1 0 KFAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H]([NH2+]CCCOC(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000169300300 562852802 /nfs/dbraw/zinc/85/28/02/562852802.db2.gz UOZTXBTUHKICSN-RLUTVEAUSA-N 1 0 528.609 2.809 1 0 KFAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C(=O)C(c4ccccc4)c4ccccc4)C[C@H]3N2C1=O ZINC000169307840 562853917 /nfs/dbraw/zinc/85/39/17/562853917.db2.gz WKLCKKBVYYPZQA-APYQXVPZSA-N 1 0 502.659 2.913 1 0 KFAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 ZINC000169308046 562854004 /nfs/dbraw/zinc/85/40/04/562854004.db2.gz VKWMDUFWTJCLAB-YHELAOLJSA-N 1 0 533.613 2.838 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc21)C(N)=O ZINC000169308058 562854021 /nfs/dbraw/zinc/85/40/21/562854021.db2.gz WSANIYPIWXGLEG-CUPIEXAXSA-N 1 0 649.792 2.963 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000169308452 562854056 /nfs/dbraw/zinc/85/40/56/562854056.db2.gz XQWLHPWPDQSALN-CUPIEXAXSA-N 1 0 649.792 2.963 1 0 KFAFRO Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 ZINC000169308453 562854068 /nfs/dbraw/zinc/85/40/68/562854068.db2.gz TZXWLEXBWCBJTK-YRCZKMHPSA-N 1 0 641.813 2.735 1 0 KFAFRO Cc1cc(NC(=O)CC[NH3+])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312353 562855342 /nfs/dbraw/zinc/85/53/42/562855342.db2.gz OVEUXOPBEVJAHQ-LLSAVZCHSA-N 1 0 717.889 2.513 1 0 KFAFRO Cc1cc(NC(=O)CCC[NH3+])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312354 562855343 /nfs/dbraw/zinc/85/53/43/562855343.db2.gz IEVONSNVPUQAER-XEJIMHFWSA-N 1 0 731.916 2.903 1 0 KFAFRO CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000169313088 562855531 /nfs/dbraw/zinc/85/55/31/562855531.db2.gz DBQMQBFEXOYJOS-UHFFFAOYSA-N 1 0 508.623 2.640 1 0 KFAFRO CCOC(=O)CC[C@H](NC(=O)c1ccc(CNc2ccc3[nH+]c(N)nc(N)c3c2C)cc1)C(=O)OCC ZINC000169314983 562855756 /nfs/dbraw/zinc/85/57/56/562855756.db2.gz VQTJZJPHQHDBPI-FQEVSTJZSA-N 1 0 508.579 2.720 1 0 KFAFRO CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000169319182 562856161 /nfs/dbraw/zinc/85/61/61/562856161.db2.gz SWSVQHLTSGKCLK-PGEOEWLFSA-N 1 0 671.774 2.874 1 0 KFAFRO C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321179 562856547 /nfs/dbraw/zinc/85/65/47/562856547.db2.gz MHPDJZHSZIPMRA-KRUKBSHNSA-N 1 0 581.673 2.856 1 0 KFAFRO NC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321200 562856588 /nfs/dbraw/zinc/85/65/88/562856588.db2.gz BGWHXRIRHLBFQX-NSGJQZOKSA-N 1 0 608.699 2.740 1 0 KFAFRO CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000169325850 562857674 /nfs/dbraw/zinc/85/76/74/562857674.db2.gz UKBCYOQHDFFVIO-QKDODKLFSA-N 1 0 623.776 2.639 1 0 KFAFRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C ZINC000169325852 562857691 /nfs/dbraw/zinc/85/76/91/562857691.db2.gz CSEHGHGURHVYCG-ZEZDXWPOSA-N 1 0 591.709 2.542 1 0 KFAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)CC2=O)c1 ZINC000169326903 562857897 /nfs/dbraw/zinc/85/78/97/562857897.db2.gz ZYNJBNKLMWIGBY-UHFFFAOYSA-N 1 0 556.627 2.855 1 0 KFAFRO C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CC(=O)N(CCCC[NH3+])CCC1=O ZINC000169330775 562858781 /nfs/dbraw/zinc/85/87/81/562858781.db2.gz RKFZBPUNVSZXTD-HHHXNRCGSA-N 1 0 632.806 2.529 1 0 KFAFRO C[C@@H](O)CN1CCC(=O)N(Cc2ccccc2)CCC(=O)N(CCc2c[nH]c3ccccc23)CCC(=O)N(CCCC[NH3+])CCC1=O ZINC000169330777 562858756 /nfs/dbraw/zinc/85/87/56/562858756.db2.gz CFQNIMHZPDPNQN-MUUNZHRXSA-N 1 0 646.833 2.919 1 0 KFAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCNC(=O)[C@H]4CCC[NH2+]C4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000169331593 562859020 /nfs/dbraw/zinc/85/90/20/562859020.db2.gz LLXAVDQELXMNJM-AHWVRZQESA-N 1 0 755.930 2.542 1 0 KFAFRO COc1ccc2c(c1O)[C@]13CC[N@@H+](CC4CC4)[C@H](C2)[C@]12CC[C@]1(O)[C@H]3[C@H](O2)C(=O)N1Cc1ccccc1 ZINC000169341272 562860796 /nfs/dbraw/zinc/86/07/96/562860796.db2.gz GGKIVHDNBHPNFR-HJGLZJKISA-N 1 0 502.611 2.958 1 0 KFAFRO COc1ccc(-n2cc(CN(C)C)nn2)cc1C(=O)NCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000169344544 562861398 /nfs/dbraw/zinc/86/13/98/562861398.db2.gz BOQDDCJRPWRTEM-UHFFFAOYSA-N 1 0 522.650 2.923 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169348053 562862107 /nfs/dbraw/zinc/86/21/07/562862107.db2.gz BDOPKJRMCXOBQZ-SETSBSEESA-N 1 0 586.803 2.934 1 0 KFAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH2+]CC1 ZINC000169348470 562862250 /nfs/dbraw/zinc/86/22/50/562862250.db2.gz YACRJMBFWKEFCV-DEOSSOPVSA-N 1 0 552.672 2.910 1 0 KFAFRO CC[C@@H](C)N(C(=O)[C@@H](N)CC(=O)OC)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348475 562862300 /nfs/dbraw/zinc/86/23/00/562862300.db2.gz KTZJCWHVFHBTEB-RDGATRHJSA-N 1 0 508.663 2.855 1 0 KFAFRO CC[C@H](C)N(C(=O)[C@@H](N)CC(=O)OC)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348476 562862305 /nfs/dbraw/zinc/86/23/05/562862305.db2.gz KTZJCWHVFHBTEB-DHLKQENFSA-N 1 0 508.663 2.855 1 0 KFAFRO CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169349225 562862452 /nfs/dbraw/zinc/86/24/52/562862452.db2.gz WIUWJZGAVWPJKP-HFZDXXHNSA-N 1 0 553.077 2.934 1 0 KFAFRO CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl ZINC000169349228 562862433 /nfs/dbraw/zinc/86/24/33/562862433.db2.gz LEHBRCOLRVRBBU-RXFWQSSRSA-N 1 0 553.077 2.934 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)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 562862600 /nfs/dbraw/zinc/86/26/00/562862600.db2.gz BREKSMRQZMZPOF-GASGPIRDSA-N 1 0 901.544 2.560 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)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 562862582 /nfs/dbraw/zinc/86/25/82/562862582.db2.gz BREKSMRQZMZPOF-IHZBLBIESA-N 1 0 901.544 2.560 1 0 KFAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)OC)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169352789 562863212 /nfs/dbraw/zinc/86/32/12/562863212.db2.gz HMDFFIVPYNVMRL-SANMLTNESA-N 1 0 624.735 2.796 1 0 KFAFRO COC(=O)CNC(=O)C1(N(Cc2ccccc2)C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000169352803 562863220 /nfs/dbraw/zinc/86/32/20/562863220.db2.gz ILKNWXLLGBEUAR-SANMLTNESA-N 1 0 624.735 2.796 1 0 KFAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169352807 562863225 /nfs/dbraw/zinc/86/32/25/562863225.db2.gz YMRAUDFUIPVZHY-DEOSSOPVSA-N 1 0 552.672 2.910 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(C(N)=O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354141 562863613 /nfs/dbraw/zinc/86/36/13/562863613.db2.gz WLNYVAADQZVUHY-ABYGYWHVSA-N 1 0 559.729 2.650 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc4c(cc3O2)CNC4=O)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354142 562863625 /nfs/dbraw/zinc/86/36/25/562863625.db2.gz BWCCMCBGMWBCFE-SETSBSEESA-N 1 0 571.740 2.795 1 0 KFAFRO CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C ZINC000169354326 562863655 /nfs/dbraw/zinc/86/36/55/562863655.db2.gz JDFJJGRNMNHIGL-WXVAWEFUSA-N 1 0 532.659 2.589 1 0 KFAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354390 562863639 /nfs/dbraw/zinc/86/36/39/562863639.db2.gz BRCKNRHULLJPNN-PWUYWRBVSA-N 1 0 585.775 2.659 1 0 KFAFRO 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)cn2)[C@]2(C)C=C[C@@]1(OCCO)O2 ZINC000169358236 562863980 /nfs/dbraw/zinc/86/39/80/562863980.db2.gz QDPDQHAYQIHTLJ-QKYMPFSNSA-N 1 0 686.799 2.607 1 0 KFAFRO Cc1cc(=O)[nH]c2cc(NC(=O)[C@@H]3C[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@@H](O7)C3=O)ccc12 ZINC000169694477 562865304 /nfs/dbraw/zinc/86/53/04/562865304.db2.gz MNKNMTGWEYFJEH-FCZOAPSKSA-N 1 0 541.604 2.540 1 0 KFAFRO Cc1cc(=O)[nH]c2cc(NC(=O)[C@H]3C[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@@H](O7)C3=O)ccc12 ZINC000169694478 562865312 /nfs/dbraw/zinc/86/53/12/562865312.db2.gz MNKNMTGWEYFJEH-DYWXNYALSA-N 1 0 541.604 2.540 1 0 KFAFRO CC(C)(NC(=O)[C@@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O)c1nc(-c2ccccc2)no1 ZINC000169694483 562865317 /nfs/dbraw/zinc/86/53/17/562865317.db2.gz CZMKSZPFKORSET-JCSATGQHSA-N 1 0 570.646 2.853 1 0 KFAFRO CC(C)(NC(=O)[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H](O5)C1=O)c1nc(-c2ccccc2)no1 ZINC000169694484 562865323 /nfs/dbraw/zinc/86/53/23/562865323.db2.gz CZMKSZPFKORSET-PTWLZRIYSA-N 1 0 570.646 2.853 1 0 KFAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H](O)[C@@H]([NH3+])CC1 ZINC000169699425 562867572 /nfs/dbraw/zinc/86/75/72/562867572.db2.gz LPVMOLILFHPJIZ-GXTWGEPZSA-N 1 0 513.521 2.673 1 0 KFAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H]([NH3+])[C@@H](O)CC1 ZINC000169699449 562867611 /nfs/dbraw/zinc/86/76/11/562867611.db2.gz LPVMOLILFHPJIZ-OCCSQVGLSA-N 1 0 513.521 2.673 1 0 KFAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@H]([NH3+])[C@@H](O)CC1 ZINC000169699450 562867588 /nfs/dbraw/zinc/86/75/88/562867588.db2.gz LPVMOLILFHPJIZ-JSGCOSHPSA-N 1 0 513.521 2.673 1 0 KFAFRO CC(=O)O[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@H]1[NH3+] ZINC000169699532 562867599 /nfs/dbraw/zinc/86/75/99/562867599.db2.gz BXTIHXFFSVVKPS-ZBFHGGJFSA-N 1 0 505.551 2.516 1 0 KFAFRO CC(=O)O[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@H]1[NH3+] ZINC000169699534 562867602 /nfs/dbraw/zinc/86/76/02/562867602.db2.gz BXTIHXFFSVVKPS-GOEBONIOSA-N 1 0 505.551 2.516 1 0 KFAFRO CO[C@@H]1[C@H]([NH3+])CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2 ZINC000169699552 562867592 /nfs/dbraw/zinc/86/75/92/562867592.db2.gz PXHLQMRYWVBLIJ-RDTXWAMCSA-N 1 0 503.579 2.989 1 0 KFAFRO CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC2(CC2)[C@@H]1[NH3+] ZINC000169699553 562867595 /nfs/dbraw/zinc/86/75/95/562867595.db2.gz BEHLKSBWWIUMSJ-CRAIPNDOSA-N 1 0 503.579 2.989 1 0 KFAFRO CO[C@@H]1[C@@H]([NH3+])CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2 ZINC000169699556 562867607 /nfs/dbraw/zinc/86/76/07/562867607.db2.gz PXHLQMRYWVBLIJ-KBXCAEBGSA-N 1 0 503.579 2.989 1 0 KFAFRO CO[C@H]1[C@@H]([NH3+])CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2 ZINC000169699557 562867584 /nfs/dbraw/zinc/86/75/84/562867584.db2.gz PXHLQMRYWVBLIJ-KSSFIOAISA-N 1 0 503.579 2.989 1 0 KFAFRO CO[C@H]1[C@H]([NH3+])CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC12CC2 ZINC000169699558 562867609 /nfs/dbraw/zinc/86/76/09/562867609.db2.gz PXHLQMRYWVBLIJ-KDOFPFPSSA-N 1 0 503.579 2.989 1 0 KFAFRO CS(=O)(=O)n1cc2c(n1)CN([C@H]1C[C@H]([NH3+])[C@H](c3cc(F)ccc3F)N(Cc3cncc4cccnc43)C1)C2 ZINC000169702003 562868155 /nfs/dbraw/zinc/86/81/55/562868155.db2.gz AJVAWMWPWWAKLK-CHZKFRDHSA-N 1 0 539.612 2.571 1 0 KFAFRO CC(C)[N@H+](CCCNC(=O)Nc1nc2cc(C(C)(C)C)ccc2[nH]1)C[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000169702057 562868123 /nfs/dbraw/zinc/86/81/23/562868123.db2.gz JHPZZWSSEJCBRJ-NZCWTCFWSA-N 1 0 579.706 2.729 1 0 KFAFRO CC(C)[N@H+](CCCNC(=O)Nc1nc2cc(C(C)(C)C)ccc2[nH]1)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000169702058 562868145 /nfs/dbraw/zinc/86/81/45/562868145.db2.gz JHPZZWSSEJCBRJ-ICLZECGLSA-N 1 0 579.706 2.729 1 0 KFAFRO COCC[NH+]1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1 ZINC000169702260 562868344 /nfs/dbraw/zinc/86/83/44/562868344.db2.gz HYLUAZCXPZMUBL-UHFFFAOYSA-N 1 0 513.650 2.847 1 0 KFAFRO COCCn1nc2c(c1C)-c1nc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)ncc1CC2 ZINC000169702465 562868367 /nfs/dbraw/zinc/86/83/67/562868367.db2.gz FAMNVKWYPDMXNR-UHFFFAOYSA-N 1 0 505.623 2.970 1 0 KFAFRO OCC(CO)[NH2+]C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706895 562869920 /nfs/dbraw/zinc/86/99/20/562869920.db2.gz KNRZSSHNVWPHLG-UHFFFAOYSA-N 1 0 503.611 2.540 1 0 KFAFRO OC[C@H](O)C[NH2+]C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706896 562869929 /nfs/dbraw/zinc/86/99/29/562869929.db2.gz MLLWORSXSDVTQA-LJQANCHMSA-N 1 0 503.611 2.540 1 0 KFAFRO OC[C@@H](O)C[NH2+]C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 ZINC000169706930 562869900 /nfs/dbraw/zinc/86/99/00/562869900.db2.gz MLLWORSXSDVTQA-IBGZPJMESA-N 1 0 503.611 2.540 1 0 KFAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CNS(C)(=O)=O)c12 ZINC000169708351 562870303 /nfs/dbraw/zinc/87/03/03/562870303.db2.gz SHDWETMXGMKKFX-AWEZNQCLSA-N 1 0 538.671 2.880 1 0 KFAFRO Cc1c(C(=O)NCCC[NH+](C)C)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CNS(C)(=O)=O)c12 ZINC000169708352 562870299 /nfs/dbraw/zinc/87/02/99/562870299.db2.gz SHDWETMXGMKKFX-CQSZACIVSA-N 1 0 538.671 2.880 1 0 KFAFRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711365 562870924 /nfs/dbraw/zinc/87/09/24/562870924.db2.gz ZDYJKRVYEGTMNR-HXUWFJFHSA-N 1 0 513.392 2.738 1 0 KFAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)[C@@H](F)[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000196032869 562872431 /nfs/dbraw/zinc/87/24/31/562872431.db2.gz KFBCFYNJFLJDPD-WRPZGQSPSA-N 1 0 631.793 2.815 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033330 562872472 /nfs/dbraw/zinc/87/24/72/562872472.db2.gz LAQXJGUAIIHFMN-NMAOWMNQSA-N 1 0 649.789 2.541 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@H](O)C(=O)OC(C)C ZINC000196033341 562872467 /nfs/dbraw/zinc/87/24/67/562872467.db2.gz LAQXJGUAIIHFMN-PAEGRGQDSA-N 1 0 649.789 2.541 1 0 KFAFRO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033407 562872451 /nfs/dbraw/zinc/87/24/51/562872451.db2.gz JNHZXGXHSIXVBS-WFKKSYCUSA-N 1 0 619.763 2.917 1 0 KFAFRO COC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCCCC1)Cc1cccc2ccccc21 ZINC000196033433 562872445 /nfs/dbraw/zinc/87/24/45/562872445.db2.gz JNHZXGXHSIXVBS-NDHWTPFQSA-N 1 0 619.763 2.917 1 0 KFAFRO CC(C)[C@H]1CN(CCN2CC[NH+](C)CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000203737282 562874073 /nfs/dbraw/zinc/87/40/73/562874073.db2.gz BKSAZOOKXIPCTM-HSZRJFAPSA-N 1 0 514.638 2.695 1 0 KFAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CC[NH2+]CC4)nc3)nc3c2cnn3C(C)C)c(=O)[nH]1 ZINC000203891521 562874189 /nfs/dbraw/zinc/87/41/89/562874189.db2.gz MCFFAAQAYWQILI-UHFFFAOYSA-N 1 0 500.607 2.719 1 0 KFAFRO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N1Cc2ccccc2C1=O)C(C)(C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000204203723 562874405 /nfs/dbraw/zinc/87/44/05/562874405.db2.gz RYXLUZHHMOTRIL-JKJMAWGESA-N 1 0 591.753 2.650 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000205053849 562874896 /nfs/dbraw/zinc/87/48/96/562874896.db2.gz ZSFCEWXXROXTCZ-LIRRHRJNSA-N 1 0 504.469 2.717 1 0 KFAFRO COCC[NH2+][C@@H]1CCN(C(=O)Nc2cn(C(N)=O)c3ccccc23)[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000205054560 562874919 /nfs/dbraw/zinc/87/49/19/562874919.db2.gz WEFOVWFREXEWHP-KNQAVFIVSA-N 1 0 512.998 2.749 1 0 KFAFRO NC(=O)n1cc(NC(=O)N2C[C@](F)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000205056511 562874939 /nfs/dbraw/zinc/87/49/39/562874939.db2.gz XVORGCBFHRBOEW-FDDCHVKYSA-N 1 0 504.925 2.950 1 0 KFAFRO C=CC(=O)N1CCC(c2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)CC1 ZINC000205347306 562875161 /nfs/dbraw/zinc/87/51/61/562875161.db2.gz ZBFUCVHDBVLZOQ-UHFFFAOYSA-N 1 0 560.747 2.990 1 0 KFAFRO C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1 ZINC000205351345 562875224 /nfs/dbraw/zinc/87/52/24/562875224.db2.gz JSVPZRBHIKMSLF-RUZDIDTESA-N 1 0 576.746 2.654 1 0 KFAFRO C=CC(=O)N1CCC[C@@H](Oc2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)c(C)c3)c(C(N)=O)nc2CC)C1 ZINC000205351361 562875202 /nfs/dbraw/zinc/87/52/02/562875202.db2.gz IQUSBNFTZLAHTF-RUZDIDTESA-N 1 0 590.773 2.962 1 0 KFAFRO O=c1ccc(-c2cccc(F)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cn2)CCO1 ZINC000205700091 562875704 /nfs/dbraw/zinc/87/57/04/562875704.db2.gz KWBSFQPATIAOSN-DEOSSOPVSA-N 1 0 516.581 2.533 1 0 KFAFRO O=c1ccc(-c2cc(F)c(F)c(F)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CC[NH+](CCO)CC4)c3)cn2)CCO1 ZINC000205727588 562875811 /nfs/dbraw/zinc/87/58/11/562875811.db2.gz INWKTLVUGKCAMW-QHCPKHFHSA-N 1 0 596.614 2.516 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(N7CCS(=O)(=O)CC7)nc65)(CC3)OC4)nc2N1 ZINC000206100536 562876248 /nfs/dbraw/zinc/87/62/48/562876248.db2.gz SYDUIJUAQHELKJ-UHFFFAOYSA-N 1 0 596.685 2.534 1 0 KFAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2ccc(OC)cc2)C(C)C)ccc1OC ZINC000208715139 562876828 /nfs/dbraw/zinc/87/68/28/562876828.db2.gz QPLLWGNHELBUMW-XUZZJYLKSA-N 1 0 549.690 2.536 1 0 KFAFRO Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnn(CC(F)F)c1N1CC[C@@H]([NH3+])[C@H](O)CC1 ZINC000209925628 562876986 /nfs/dbraw/zinc/87/69/86/562876986.db2.gz LPVMOLILFHPJIZ-TZMCWYRMSA-N 1 0 513.521 2.673 1 0 KFAFRO C[NH+]1CCN(CCCOc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ccccc4O3)nc2=O)CC1 ZINC000220110072 562878341 /nfs/dbraw/zinc/87/83/41/562878341.db2.gz OQMFGWYGFFWGNX-QHCPKHFHSA-N 1 0 518.614 2.702 1 0 KFAFRO C[NH+]1CCN(CCCOc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ccccc4O3)nc2=O)CC1 ZINC000220110157 562878337 /nfs/dbraw/zinc/87/83/37/562878337.db2.gz OQMFGWYGFFWGNX-HSZRJFAPSA-N 1 0 518.614 2.702 1 0 KFAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@@H]1CCCN1C(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221225921 562878843 /nfs/dbraw/zinc/87/88/43/562878843.db2.gz JMXGMJXNOBOTHI-UAJHMDHNSA-N 1 0 535.685 2.744 1 0 KFAFRO COc1ccc(-c2nc([C@@H](C)Sc3nc(N)cc(N)[nH+]3)c(C)s2)cc1OCCNS(C)(=O)=O ZINC000224698486 562880516 /nfs/dbraw/zinc/88/05/16/562880516.db2.gz MBPWFMBRNJJXFY-GFCCVEGCSA-N 1 0 510.667 2.863 1 0 in-vitro KFAFRO NC(=[NH2+])[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)CC1 ZINC000253636973 562882368 /nfs/dbraw/zinc/88/23/68/562882368.db2.gz YEOJQWOYQKEBNY-VDVKDMFPSA-N 1 0 551.713 2.640 1 0 KFAFRO NC(=[NH2+])C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000253647949 562882606 /nfs/dbraw/zinc/88/26/06/562882606.db2.gz ULBIQVFYMZSFPS-DSYNPFFXSA-N 1 0 553.729 2.709 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH3+])C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000253665580 562882674 /nfs/dbraw/zinc/88/26/74/562882674.db2.gz DMNBCGIBYAGJOJ-DFQSSKMNSA-N 1 0 508.566 2.952 1 0 KFAFRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000253665585 562882665 /nfs/dbraw/zinc/88/26/65/562882665.db2.gz DMNBCGIBYAGJOJ-MISYRCLQSA-N 1 0 508.566 2.952 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000299828773 562884604 /nfs/dbraw/zinc/88/46/04/562884604.db2.gz HHAHIKNIKNYSJI-JCOUFRJTSA-N 1 0 628.859 2.516 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1 ZINC000299828778 562884598 /nfs/dbraw/zinc/88/45/98/562884598.db2.gz HHAHIKNIKNYSJI-VPKZUODGSA-N 1 0 628.859 2.516 1 0 KFAFRO O=C1C[C@H]2N(CN1Cc1ccccc1)[C@]13CC[C@]2(O)[C@H]2Oc4c5c(ccc4O)C[C@@H]1[N@@H+](CC1CC1)CC[C@@]523 ZINC000299829674 562884939 /nfs/dbraw/zinc/88/49/39/562884939.db2.gz VBFLGDLOFOLPOG-BIEJALMSSA-N 1 0 513.638 2.769 1 0 KFAFRO O=C1C[C@@H]2N(CN1Cc1ccccc1)[C@]13CC[C@]2(O)[C@@H]2Oc4c5c(ccc4O)C[C@@H]1[N@@H+](CC1CC1)CC[C@@]523 ZINC000299829677 562884951 /nfs/dbraw/zinc/88/49/51/562884951.db2.gz VBFLGDLOFOLPOG-DADHEUPUSA-N 1 0 513.638 2.769 1 0 KFAFRO O=C1C[C@@H]2N(CN1Cc1ccccc1)[C@]13CC[C@]2(O)[C@H]2Oc4c5c(ccc4O)C[C@@H]1[N@@H+](CC1CC1)CC[C@@]523 ZINC000299829683 562884947 /nfs/dbraw/zinc/88/49/47/562884947.db2.gz VBFLGDLOFOLPOG-KNAGWPEFSA-N 1 0 513.638 2.769 1 0 KFAFRO O=C1C[C@H]2N(CN1Cc1ccccc1)[C@]13CC[C@]2(O)[C@@H]2Oc4c5c(ccc4O)C[C@@H]1[N@@H+](CC1CC1)CC[C@@]523 ZINC000299829688 562884985 /nfs/dbraw/zinc/88/49/85/562884985.db2.gz VBFLGDLOFOLPOG-YMVLNTGFSA-N 1 0 513.638 2.769 1 0 KFAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+]C2(CCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299829780 562885021 /nfs/dbraw/zinc/88/50/21/562885021.db2.gz IANLOICXMQVYTP-CGGVYCAISA-N 1 0 522.404 2.860 1 0 KFAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+]C2(CCC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000299829788 562885011 /nfs/dbraw/zinc/88/50/11/562885011.db2.gz IANLOICXMQVYTP-LOWATZNFSA-N 1 0 522.404 2.860 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)CCc1ccc(Cl)cc1 ZINC000299831228 562885480 /nfs/dbraw/zinc/88/54/80/562885480.db2.gz DNZNBEZRKTXBCA-HPEBZSCQSA-N 1 0 688.270 2.686 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 ZINC000299833618 562886222 /nfs/dbraw/zinc/88/62/22/562886222.db2.gz HVAJYDQJJHHKGW-DZUOILHNSA-N 1 0 659.873 2.806 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC1CCCCC1 ZINC000299833678 562886221 /nfs/dbraw/zinc/88/62/21/562886221.db2.gz ICRSIRKIELQUKD-NFWZRYHXSA-N 1 0 659.873 2.806 1 0 KFAFRO CCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)OC(=O)CC)C(=O)N12 ZINC000299835094 562886719 /nfs/dbraw/zinc/88/67/19/562886719.db2.gz KJHWLXXEXVTYDV-JKHKLWCOSA-N 1 0 587.695 2.859 1 0 KFAFRO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NC1CCCCC1 ZINC000299835123 562886679 /nfs/dbraw/zinc/88/66/79/562886679.db2.gz KMPIMEVWQMKTRP-HPEBZSCQSA-N 1 0 657.857 2.704 1 0 KFAFRO CCOC(=O)CC1C(=O)N(Cc2ccccc2)C2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]3C)[C@H]2O5 ZINC000299835157 562886781 /nfs/dbraw/zinc/88/67/81/562886781.db2.gz LWJQJBOPDYTMKC-KLNDKWMUSA-N 1 0 516.594 2.972 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000299835203 562886775 /nfs/dbraw/zinc/88/67/75/562886775.db2.gz KXMBKORKEAWPPT-BHBAPUPVSA-N 1 0 653.825 2.551 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000299835205 562886763 /nfs/dbraw/zinc/88/67/63/562886763.db2.gz KXMBKORKEAWPPT-KGZBIEIFSA-N 1 0 653.825 2.551 1 0 KFAFRO COc1ccc(-c2nc([C@H](C)Sc3nc(N)cc(N)[nH+]3)c(C)s2)cc1OCCNS(C)(=O)=O ZINC000299835220 562886772 /nfs/dbraw/zinc/88/67/72/562886772.db2.gz MBPWFMBRNJJXFY-LBPRGKRZSA-N 1 0 510.667 2.863 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NC1CCCCC1 ZINC000299836181 562887020 /nfs/dbraw/zinc/88/70/20/562887020.db2.gz MEPBJEPYMSWCEA-OXCFDMGDSA-N 1 0 589.778 2.646 1 0 KFAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCC(F)(F)F)=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)OCC(F)(F)F)c4)C3)[C@H](C)[C@H]12 ZINC000299836311 562887097 /nfs/dbraw/zinc/88/70/97/562887097.db2.gz NCLMEGLXUUOQSC-QKZKPRJSSA-N 1 0 639.571 2.983 1 0 KFAFRO CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)c2)ncc1Cl ZINC000299837013 562887371 /nfs/dbraw/zinc/88/73/71/562887371.db2.gz OBVABXWHTLZJKU-FQEVSTJZSA-N 1 0 522.997 2.784 1 0 KFAFRO CNC(=O)c1ccccc1Nc1nc(Nc2cccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)c2)ncc1Cl ZINC000299837015 562887354 /nfs/dbraw/zinc/88/73/54/562887354.db2.gz OBVABXWHTLZJKU-HXUWFJFHSA-N 1 0 522.997 2.784 1 0 KFAFRO CC(C)OC(=O)OCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCOC(=O)OC(C)C)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299837038 562887344 /nfs/dbraw/zinc/88/73/44/562887344.db2.gz PAXGVTWHLRAHCZ-OHUINNRQSA-N 1 0 707.755 2.896 1 0 KFAFRO CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1)[NH+](C)C ZINC000299837658 562887575 /nfs/dbraw/zinc/88/75/75/562887575.db2.gz OZYJXAUDZLARRH-CMWGUIBESA-N 1 0 642.886 2.907 1 0 KFAFRO [NH3+][C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F ZINC000299837860 562887637 /nfs/dbraw/zinc/88/76/37/562887637.db2.gz SDMRQHTYZVIMOS-HNNXBMFYSA-N 1 0 510.353 2.843 1 0 KFAFRO [NH3+][C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F ZINC000299837861 562887664 /nfs/dbraw/zinc/88/76/64/562887664.db2.gz SDMRQHTYZVIMOS-OAHLLOKOSA-N 1 0 510.353 2.843 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N1CCC(c2ccccc2)CC1 ZINC000299838329 562887820 /nfs/dbraw/zinc/88/78/20/562887820.db2.gz UPSNQPFRKHYPPP-OVOJMXFRSA-N 1 0 679.863 2.737 1 0 KFAFRO COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C(C)C ZINC000299838790 562887970 /nfs/dbraw/zinc/88/79/70/562887970.db2.gz RBGHFTFBJLOCBG-DRRCGMRDSA-N 1 0 605.821 2.619 1 0 KFAFRO CCCOC(=O)C1=C(S[C@@H]2C[NH2+][C@H](C(=O)Nc3cccc(C(=O)OCCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299839606 562888251 /nfs/dbraw/zinc/88/82/51/562888251.db2.gz YXROMQGTAZLLGH-PEFXOJROSA-N 1 0 559.685 2.678 1 0 KFAFRO COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1Cc1ccc(O)cc1 ZINC000299841070 562888737 /nfs/dbraw/zinc/88/87/37/562888737.db2.gz XSADKPNQNYOYQO-JVTILXPNSA-N 1 0 669.864 2.911 1 0 KFAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5N=C4C(C(=O)OC)[C@@H]1Nc1ncnc4c1ncn4[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@H]32 ZINC000299848404 562890244 /nfs/dbraw/zinc/89/02/44/562890244.db2.gz MQDLQYBMCGHXCR-CGBCAEHUSA-N 1 0 727.775 2.775 1 0 KFAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5N=C4C(C(=O)OC)[C@@H]1Nc1ncnc4c1ncn4[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@@H]32 ZINC000299848409 562890250 /nfs/dbraw/zinc/89/02/50/562890250.db2.gz MQDLQYBMCGHXCR-QEFKZYRCSA-N 1 0 727.775 2.775 1 0 KFAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5N=C4C(C(=O)OC)[C@@H]1Nc1ncnc4c1ncn4[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H]32 ZINC000299848414 562890267 /nfs/dbraw/zinc/89/02/67/562890267.db2.gz MQDLQYBMCGHXCR-YEXRUCIASA-N 1 0 727.775 2.775 1 0 KFAFRO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5N=C4C(C(=O)OC)[C@@H]1Nc1ncnc4c1ncn4[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H]32 ZINC000299848420 562890261 /nfs/dbraw/zinc/89/02/61/562890261.db2.gz MQDLQYBMCGHXCR-YNVFUVJRSA-N 1 0 727.775 2.775 1 0 KFAFRO C[C@@H]1COc2cnc(C[NH2+]C34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1 ZINC000299850125 562890568 /nfs/dbraw/zinc/89/05/68/562890568.db2.gz ANNCJARORUUTDG-TYMIWPCESA-N 1 0 508.550 2.553 1 0 KFAFRO C[C@H]1COc2cnc(C[NH2+]C34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)cc2O1 ZINC000299850127 562890588 /nfs/dbraw/zinc/89/05/88/562890588.db2.gz ANNCJARORUUTDG-VREGKDRCSA-N 1 0 508.550 2.553 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ncc4c(c3Cl)OCCO4)(CC1)CO2 ZINC000299851098 562890674 /nfs/dbraw/zinc/89/06/74/562890674.db2.gz FEIPQXODOSNTCX-WNMGUVTHSA-N 1 0 528.968 2.818 1 0 KFAFRO O=C(Oc1cc2c(nc1C[NH2+]C13CCC(C[C@]4(O)Cn5c6c4c(F)cnc6ccc5=O)(CC1)OC3)NC(=O)CO2)c1ccccc1 ZINC000299851377 562890735 /nfs/dbraw/zinc/89/07/35/562890735.db2.gz FWPQNGRHJAYFEG-PJUZOBRJSA-N 1 0 627.629 2.944 1 0 KFAFRO Cn1c(=O)c(C[NH2+]C23CCC(C[C@]4(O)Cn5c6c4c(F)cnc6ccc5=O)(CC2)OC3)cc2ccccc21 ZINC000299851636 562890771 /nfs/dbraw/zinc/89/07/71/562890771.db2.gz HOJUWSMCHWSSED-PPUMFKDSSA-N 1 0 516.573 2.850 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(cn3)OCCS4)(CC1)CO2 ZINC000299851656 562890785 /nfs/dbraw/zinc/89/07/85/562890785.db2.gz HZURWPKXQPDWGO-WNMGUVTHSA-N 1 0 510.591 2.878 1 0 KFAFRO C[C@@H]1COc2cc(C[NH2+]C34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ncc2O1 ZINC000299851746 562890823 /nfs/dbraw/zinc/89/08/23/562890823.db2.gz JFVOIXFTEPJFSS-TYMIWPCESA-N 1 0 508.550 2.553 1 0 KFAFRO C[C@H]1COc2cc(C[NH2+]C34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)ncc2O1 ZINC000299851747 562890805 /nfs/dbraw/zinc/89/08/05/562890805.db2.gz JFVOIXFTEPJFSS-VREGKDRCSA-N 1 0 508.550 2.553 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(cn3)SCCO4)(CC1)CO2 ZINC000299851975 562890825 /nfs/dbraw/zinc/89/08/25/562890825.db2.gz LNPIRHZFEVVLMC-WNMGUVTHSA-N 1 0 510.591 2.878 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(cc3F)OCCO4)(CC1)CO2 ZINC000299852753 562890952 /nfs/dbraw/zinc/89/09/52/562890952.db2.gz WZPHABLDFJPQRP-RCSZBHJWSA-N 1 0 511.525 2.909 1 0 KFAFRO CC(C)[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c1)C(=O)OCc1ccccc1 ZINC000299855833 562891740 /nfs/dbraw/zinc/89/17/40/562891740.db2.gz BQXMBJJJTZTRFJ-ZCYQVOJMSA-N 1 0 504.587 2.981 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000299856149 562891868 /nfs/dbraw/zinc/89/18/68/562891868.db2.gz CFEVUEANPOINQN-KFIZHRIMSA-N 1 0 871.781 2.661 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000299856152 562891858 /nfs/dbraw/zinc/89/18/58/562891858.db2.gz CFEVUEANPOINQN-NZKHRDNMSA-N 1 0 871.781 2.661 1 0 KFAFRO COc1ccc2ncc(S(C)(=O)=O)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000299857525 562892281 /nfs/dbraw/zinc/89/22/81/562892281.db2.gz FITQUUUWEHCOJD-UHFFFAOYSA-N 1 0 553.641 2.572 1 0 KFAFRO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299859096 562892600 /nfs/dbraw/zinc/89/26/00/562892600.db2.gz HLTCAEYWJWURNS-UHFFFAOYSA-N 1 0 518.449 2.904 1 0 KFAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccc(OC)cc2c1C1CC[NH+](C)CC1 ZINC000299859243 562892631 /nfs/dbraw/zinc/89/26/31/562892631.db2.gz FPAXUZFELOGEOR-OFSOJUDTSA-N 1 0 547.608 2.829 1 0 KFAFRO C[N@H+](CCNCc1cn(CCn2c(=O)[nH]c3ccccc3c2=O)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299860988 562893096 /nfs/dbraw/zinc/89/30/96/562893096.db2.gz KGYSFWBYBOYESH-UHFFFAOYSA-N 1 0 548.051 2.729 1 0 KFAFRO COc1cc(C(N)=O)cc(-c2nc3cc(OCC[NH+]4CCCC4)c(OC)cc3c(N3CCOCC3)n2)c1 ZINC000299860994 562893130 /nfs/dbraw/zinc/89/31/30/562893130.db2.gz KHSQMICBWNABRT-UHFFFAOYSA-N 1 0 507.591 2.724 1 0 KFAFRO CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000299861128 562893169 /nfs/dbraw/zinc/89/31/69/562893169.db2.gz KMGVERQIRHTKMX-MAKWBINYSA-N 1 0 673.859 2.684 1 0 KFAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(F)c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000299862167 562893541 /nfs/dbraw/zinc/89/35/41/562893541.db2.gz MOLAWPYTNKWQIR-HXUWFJFHSA-N 1 0 504.566 2.598 1 0 KFAFRO Cc1cc(S(C)(=O)=O)nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc12 ZINC000299863734 562893900 /nfs/dbraw/zinc/89/39/00/562893900.db2.gz PTFLGBBOPKLEKM-UHFFFAOYSA-N 1 0 537.642 2.872 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299863781 562893903 /nfs/dbraw/zinc/89/39/03/562893903.db2.gz LLOKGVKDYDMOAK-AYXCPNKJSA-N 1 0 661.803 2.945 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299863782 562893920 /nfs/dbraw/zinc/89/39/20/562893920.db2.gz LLOKGVKDYDMOAK-BBACVFHCSA-N 1 0 661.803 2.945 1 0 KFAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC)Cc1c-3nc2ccc(OC)cc2c1C1CC[NH+](C)CC1 ZINC000299864129 562894046 /nfs/dbraw/zinc/89/40/46/562894046.db2.gz MAARGCOVTICLDF-UHSQPCAPSA-N 1 0 519.598 2.912 1 0 KFAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1csc2ccccc12)C(N)=O ZINC000299864275 562894079 /nfs/dbraw/zinc/89/40/79/562894079.db2.gz REKSTTUGBVDPCU-SSNHPIBPSA-N 1 0 877.810 2.723 1 0 KFAFRO Cn1c2nc3n(CCCC[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)ccn3c2c(=O)n(C)c1=O ZINC000299865073 562894277 /nfs/dbraw/zinc/89/42/77/562894277.db2.gz SOVHNGNOLYCUNI-UHFFFAOYSA-N 1 0 504.422 2.596 1 0 KFAFRO COc1ccc2ncc(CO)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000299866240 562894624 /nfs/dbraw/zinc/89/46/24/562894624.db2.gz VNEPIIATPXNUDN-UHFFFAOYSA-N 1 0 505.575 2.661 1 0 KFAFRO Cn1c2nc3n(cc(-c4ccccc4)n3CCCC[NH+]3CCN(c4ccccc4O)CC3)c2c(=O)n(C)c1=O ZINC000299866262 562894615 /nfs/dbraw/zinc/89/46/15/562894615.db2.gz VPBKGYIOHOLSGS-UHFFFAOYSA-N 1 0 527.629 2.661 1 0 KFAFRO Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1 ZINC000299866808 562894736 /nfs/dbraw/zinc/89/47/36/562894736.db2.gz PLHNGODJVSQPTC-SANMLTNESA-N 1 0 563.680 2.650 1 0 KFAFRO Cn1c2nc3n(CCCCC[NH+]4CCN(c5ccc(Cl)c(Cl)c5)CC4)ccn3c2c(=O)n(C)c1=O ZINC000299867223 562894803 /nfs/dbraw/zinc/89/48/03/562894803.db2.gz XSBWPZFLPYROTA-UHFFFAOYSA-N 1 0 518.449 2.986 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O ZINC000299868429 562895098 /nfs/dbraw/zinc/89/50/98/562895098.db2.gz RIMIBCVRYAMDEW-CGEBMKQYSA-N 1 0 730.866 2.787 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(N)=O ZINC000299868431 562895104 /nfs/dbraw/zinc/89/51/04/562895104.db2.gz RIMIBCVRYAMDEW-GAKQAUNFSA-N 1 0 730.866 2.787 1 0 KFAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC(=O)[C@H]1OC(C)=O)Cc1c-3nc2ccccc2c1C1CC[NH+](C)CC1 ZINC000299870130 562895408 /nfs/dbraw/zinc/89/54/08/562895408.db2.gz VWULOYHXKOLRFF-UHSQPCAPSA-N 1 0 517.582 2.821 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@]3(F)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299871938 562895788 /nfs/dbraw/zinc/89/57/88/562895788.db2.gz ZNBZHMKSLRUVPO-NRUKRLKBSA-N 1 0 509.513 2.702 1 0 KFAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(F)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299871939 562895778 /nfs/dbraw/zinc/89/57/78/562895778.db2.gz ZNBZHMKSLRUVPO-WNMGUVTHSA-N 1 0 509.513 2.702 1 0 KFAFRO CN(C)c1ccc2c(c1)CN(C)[C@@H](C(=O)N[C@H]1CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]1O6)C2 ZINC000299872031 562895810 /nfs/dbraw/zinc/89/58/10/562895810.db2.gz ZTDNIZYKQQFUSZ-HKMPHQCPSA-N 1 0 558.723 2.564 1 0 KFAFRO CN(C)c1ccc2c(c1)CN(C)[C@H](C(=O)N[C@H]1CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@H]1O6)C2 ZINC000299872032 562895825 /nfs/dbraw/zinc/89/58/25/562895825.db2.gz ZTDNIZYKQQFUSZ-ZYGGORIISA-N 1 0 558.723 2.564 1 0 KFAFRO COc1ccc2c(c1)c(CC(=O)OCCN(C)[N+](O)=NOCOC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000377797805 562895941 /nfs/dbraw/zinc/89/59/41/562895941.db2.gz UTOIZDTWRQHADM-UHFFFAOYSA-N 1 0 547.972 2.968 1 0 KFAFRO CCN(CC)[N+](O)=NOCOC(=O)C(=Cc1ccc(S(C)(=O)=O)cc1)c1ccc(NC(C)=O)cc1 ZINC000377799876 562895956 /nfs/dbraw/zinc/89/59/56/562895956.db2.gz GGTOMKFCNYNXGL-PXLXIMEGSA-O 1 0 505.573 2.562 1 0 KFAFRO CC(=O)O[C@@H](C)ON[N+](=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000377820923 562896153 /nfs/dbraw/zinc/89/61/53/562896153.db2.gz PEKKZEJXBXXVHI-CYBMUJFWSA-N 1 0 514.462 2.961 1 0 KFAFRO CC(=O)O[C@H](C)ON[N+](=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000377820924 562896195 /nfs/dbraw/zinc/89/61/95/562896195.db2.gz PEKKZEJXBXXVHI-ZDUSSCGKSA-N 1 0 514.462 2.961 1 0 KFAFRO COc1cncc(-c2cnc(N[C@@H]3CC[NH2+]C[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1 ZINC000473086372 562897053 /nfs/dbraw/zinc/89/70/53/562897053.db2.gz BPOJDXQRBLABMR-DHIUTWEWSA-N 1 0 527.647 2.698 1 0 KFAFRO COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OC[C@H]([NH2+]C(C)C)[C@@H]23)cc1 ZINC000473090297 562897521 /nfs/dbraw/zinc/89/75/21/562897521.db2.gz OFXPGQLWBAPWQQ-YKDYVCSNSA-N 1 0 619.781 2.778 1 0 KFAFRO CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(CC[N@@H+](CCC(=O)OC)CCn1cnc2c1nc(N)[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OCC ZINC000473090945 562897674 /nfs/dbraw/zinc/89/76/74/562897674.db2.gz BGDFXENCFNMRTJ-NSOVKSMOSA-N 1 0 738.783 2.531 1 0 KFAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc(N)c2Cl)c1 ZINC000473091518 562897681 /nfs/dbraw/zinc/89/76/81/562897681.db2.gz QVOXZUNPEBUAMD-UHFFFAOYSA-N 1 0 523.041 2.797 1 0 KFAFRO Cc1cncc(-c2cnc(N[C@@H]3CC[NH2+]C[C@H]3OCC3CCS(=O)(=O)CC3)c3[nH]c(=O)c(C)cc23)c1 ZINC000473096543 562897881 /nfs/dbraw/zinc/89/78/81/562897881.db2.gz ZIRMKCLZUOCUSC-DHIUTWEWSA-N 1 0 511.648 2.998 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCOCCO)nc65)(CC3)OC4)nc2N1 ZINC000473097142 562897930 /nfs/dbraw/zinc/89/79/30/562897930.db2.gz DBSWTWPDQCRYPY-UHFFFAOYSA-N 1 0 567.618 2.687 1 0 KFAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCC2)C(=O)C1=O ZINC000473099406 562898037 /nfs/dbraw/zinc/89/80/37/562898037.db2.gz GMNBJLPEGPVJPY-ORYMTKCHSA-N 1 0 659.828 2.683 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(O[C@H]7C[C@H](O)C[C@H](O)C7)nc65)(CC3)OC4)nc2N1 ZINC000473107601 562898361 /nfs/dbraw/zinc/89/83/61/562898361.db2.gz JLRJCUORJXSDCV-BOBBOVFHSA-N 1 0 593.656 2.952 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC[C@@H]7C[C@@H](O)[C@@H](O)C7)nc65)(CC3)OC4)nc2N1 ZINC000473107634 562898352 /nfs/dbraw/zinc/89/83/52/562898352.db2.gz JOKWCJAAARDAIH-CIHMTIACSA-N 1 0 593.656 2.810 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC[C@H]7C[C@@H](O)[C@@H](O)C7)nc65)(CC3)OC4)nc2N1 ZINC000473107637 562898342 /nfs/dbraw/zinc/89/83/42/562898342.db2.gz JOKWCJAAARDAIH-KRFKKBNMSA-N 1 0 593.656 2.810 1 0 KFAFRO Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(C)c1 ZINC000473108878 562898413 /nfs/dbraw/zinc/89/84/13/562898413.db2.gz PMPRRWZFWDUAOM-UHFFFAOYSA-N 1 0 551.677 2.715 1 0 KFAFRO COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3c2)cc1NS(=O)(=O)C1CC1 ZINC000473113799 562898831 /nfs/dbraw/zinc/89/88/31/562898831.db2.gz KMNHIBFNIBQIEX-UHFFFAOYSA-N 1 0 532.648 2.725 1 0 KFAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3cn(CCC[NH+](C)C)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000473118615 562899246 /nfs/dbraw/zinc/89/92/46/562899246.db2.gz KTGZEFQESZSLBR-FLDONVTPSA-N 1 0 566.611 2.874 1 0 KFAFRO CS(=O)(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1O2 ZINC000473119512 562899283 /nfs/dbraw/zinc/89/92/83/562899283.db2.gz AYYDGOHFFYKIAO-HSZRJFAPSA-N 1 0 510.660 2.733 1 0 KFAFRO CS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+]1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1O2 ZINC000473119517 562899279 /nfs/dbraw/zinc/89/92/79/562899279.db2.gz AYYDGOHFFYKIAO-QHCPKHFHSA-N 1 0 510.660 2.733 1 0 KFAFRO COc1cc(Nc2nccc(-n3cc(C)c(C[N@@H+]4CC[C@@H](O)C4)c3)n2)cc(OC)c1OCC(=O)N1CCCC1 ZINC000473122464 562899502 /nfs/dbraw/zinc/89/95/02/562899502.db2.gz SBQKRDRZXFGGRH-JOCHJYFZSA-N 1 0 536.633 2.904 1 0 KFAFRO CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1 ZINC000473128621 562899949 /nfs/dbraw/zinc/89/99/49/562899949.db2.gz CYHQRHAWKLTJOW-UHFFFAOYSA-N 1 0 507.620 2.829 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NC(C)C)cs2)C1 ZINC000473151287 562901613 /nfs/dbraw/zinc/90/16/13/562901613.db2.gz PCKFUCTVSCNNGK-HJWIKWMHSA-N 1 0 521.728 2.975 1 0 KFAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000473164949 562902839 /nfs/dbraw/zinc/90/28/39/562902839.db2.gz GBCXGIVYNMTSKT-UHFFFAOYSA-N 1 0 530.654 2.923 1 0 KFAFRO NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000473165217 562902889 /nfs/dbraw/zinc/90/28/89/562902889.db2.gz SADZFYNEAMLCJB-UHFFFAOYSA-N 1 0 516.627 2.927 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1Cl ZINC000473165258 562902916 /nfs/dbraw/zinc/90/29/16/562902916.db2.gz UTDSHFXFKFSYPV-NBQZKYEYSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1Cl ZINC000473165261 562902927 /nfs/dbraw/zinc/90/29/27/562902927.db2.gz UTDSHFXFKFSYPV-UVFQYZLESA-N 1 0 508.945 2.715 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ccc(Oc6cccnc6)nc54)CC3)nc2N1 ZINC000473169829 562903150 /nfs/dbraw/zinc/90/31/50/562903150.db2.gz OFHHNHGRVODFKG-UHFFFAOYSA-N 1 0 527.585 2.564 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ncc(Oc6cncc(F)c6)cc54)CC3)nc2N1 ZINC000473170087 562903182 /nfs/dbraw/zinc/90/31/82/562903182.db2.gz PVMNTCQETHBFBK-UHFFFAOYSA-N 1 0 545.575 2.703 1 0 KFAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ncc(Oc6cccnc6)cc54)CC3)nc2N1 ZINC000473170683 562903161 /nfs/dbraw/zinc/90/31/61/562903161.db2.gz QTVDOOXOPFOZSP-UHFFFAOYSA-N 1 0 527.585 2.564 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1Cl ZINC000473170838 562903220 /nfs/dbraw/zinc/90/32/20/562903220.db2.gz RDHHQAZHBLXKNI-FTRWYGJKSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1Cl ZINC000473170841 562903240 /nfs/dbraw/zinc/90/32/40/562903240.db2.gz RDHHQAZHBLXKNI-RZQQEMMASA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1Cl ZINC000473170844 562903214 /nfs/dbraw/zinc/90/32/14/562903214.db2.gz RDHHQAZHBLXKNI-TWOQFEAHSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1Cl ZINC000473170847 562903234 /nfs/dbraw/zinc/90/32/34/562903234.db2.gz RDHHQAZHBLXKNI-YRNRMSPPSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1C ZINC000473171297 562903223 /nfs/dbraw/zinc/90/32/23/562903223.db2.gz SCZGJGQHJNYQKV-DHJUGAMNSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1C ZINC000473171306 562903226 /nfs/dbraw/zinc/90/32/26/562903226.db2.gz SCZGJGQHJNYQKV-HCLVMJGWSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1C ZINC000473171308 562903221 /nfs/dbraw/zinc/90/32/21/562903221.db2.gz SCZGJGQHJNYQKV-KPDCDPCYSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1C ZINC000473171310 562903215 /nfs/dbraw/zinc/90/32/15/562903215.db2.gz SCZGJGQHJNYQKV-LLBVYWAGSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1C ZINC000473171314 562903210 /nfs/dbraw/zinc/90/32/10/562903210.db2.gz SCZGJGQHJNYQKV-MONBJTKQSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1C ZINC000473171315 562903239 /nfs/dbraw/zinc/90/32/39/562903239.db2.gz SCZGJGQHJNYQKV-NYDSKATKSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1C ZINC000473171318 562903237 /nfs/dbraw/zinc/90/32/37/562903237.db2.gz SCZGJGQHJNYQKV-WGGBDISSSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1C ZINC000473171321 562903230 /nfs/dbraw/zinc/90/32/30/562903230.db2.gz SCZGJGQHJNYQKV-XTQVGHSUSA-N 1 0 502.554 2.760 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1Cl ZINC000473171386 562903228 /nfs/dbraw/zinc/90/32/28/562903228.db2.gz UTDSHFXFKFSYPV-AKCHCHLHSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1Cl ZINC000473171390 562903227 /nfs/dbraw/zinc/90/32/27/562903227.db2.gz UTDSHFXFKFSYPV-DKICVRJWSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1Cl ZINC000473171393 562903224 /nfs/dbraw/zinc/90/32/24/562903224.db2.gz UTDSHFXFKFSYPV-PTSWNOGYSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@H]3CO2)c1Cl ZINC000473171396 562903246 /nfs/dbraw/zinc/90/32/46/562903246.db2.gz UTDSHFXFKFSYPV-YYFZDKIDSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1Cl ZINC000473179572 562903382 /nfs/dbraw/zinc/90/33/82/562903382.db2.gz UTDSHFXFKFSYPV-IIMJZQEZSA-N 1 0 508.945 2.715 1 0 KFAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c1Cl ZINC000473179573 562903405 /nfs/dbraw/zinc/90/34/05/562903405.db2.gz UTDSHFXFKFSYPV-KKVAFCGZSA-N 1 0 508.945 2.715 1 0 KFAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC[C@H](O)[C@H](O)CO)[C@H](Cc2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000473214414 562903926 /nfs/dbraw/zinc/90/39/26/562903926.db2.gz MEFLJCTUKXWPAO-NQXAXKLISA-N 1 0 582.500 2.788 1 0 KFAFRO COc1ccc(COc2ccc(Cn3c(N)[nH+]c4cc(N5CCN(C)CC5=O)ccc43)cc2OC)cn1 ZINC000473215531 562904109 /nfs/dbraw/zinc/90/41/09/562904109.db2.gz ZBLNHHKDOCIERP-UHFFFAOYSA-N 1 0 502.575 2.767 1 0 KFAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C ZINC000473224174 562904160 /nfs/dbraw/zinc/90/41/60/562904160.db2.gz WFZPJFBWUKKUTA-LVIOGHJBSA-N 1 0 610.796 2.797 1 0 KFAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C ZINC000473224175 562904184 /nfs/dbraw/zinc/90/41/84/562904184.db2.gz WFZPJFBWUKKUTA-NBCLCUQJSA-N 1 0 610.796 2.797 1 0 KFAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C ZINC000473224176 562904164 /nfs/dbraw/zinc/90/41/64/562904164.db2.gz WFZPJFBWUKKUTA-OFEGBEERSA-N 1 0 610.796 2.797 1 0 KFAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C)cc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C ZINC000473224177 562904201 /nfs/dbraw/zinc/90/42/01/562904201.db2.gz WFZPJFBWUKKUTA-QKUYTOGTSA-N 1 0 610.796 2.797 1 0 KFAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(I)cc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000473233276 562904490 /nfs/dbraw/zinc/90/44/90/562904490.db2.gz ZJLZPMIAUGHSSO-GROAXGHMSA-N 1 0 821.779 2.991 1 0 KFAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(I)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O ZINC000473233277 562904501 /nfs/dbraw/zinc/90/45/01/562904501.db2.gz ZJLZPMIAUGHSSO-ILMSYNACSA-N 1 0 821.779 2.991 1 0 KFAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(I)cc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O ZINC000473233279 562904526 /nfs/dbraw/zinc/90/45/26/562904526.db2.gz ZJLZPMIAUGHSSO-QJXZSUJHSA-N 1 0 821.779 2.991 1 0 KFAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(I)cc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000473233281 562904515 /nfs/dbraw/zinc/90/45/15/562904515.db2.gz ZJLZPMIAUGHSSO-QLALRIIUSA-N 1 0 821.779 2.991 1 0 KFAFRO Nc1ncc(-c2cc(N3CC[C@H]([N@@H+]4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653684756 562906451 /nfs/dbraw/zinc/90/64/51/562906451.db2.gz HDOALZLERNSOGD-JYJNAYRXSA-N 1 0 509.508 2.619 1 0 KFAFRO Nc1ncc(-c2cc(N3CC[C@@H]([N@@H+]4C[C@@H]5C[C@H]4CO5)C3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F ZINC000653684757 562906443 /nfs/dbraw/zinc/90/64/43/562906443.db2.gz HDOALZLERNSOGD-PMPSAXMXSA-N 1 0 509.508 2.619 1 0 KFAFRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CSc3ccccc3F)[C@@H](O)[C@H]1O)C2 ZINC000653693937 562906892 /nfs/dbraw/zinc/90/68/92/562906892.db2.gz UXVILILTBIMPFC-ZVBWHDKGSA-N 1 0 514.627 2.804 1 0 KFAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc2C1 ZINC000653714199 562908341 /nfs/dbraw/zinc/90/83/41/562908341.db2.gz RMFGZBFRUYKMOT-URLMMPGGSA-N 1 0 540.664 2.533 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN(C)C(N)=[NH2+])NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653719486 562908695 /nfs/dbraw/zinc/90/86/95/562908695.db2.gz BGVTWXSUXSQKRU-GKCWTWCASA-N 1 0 681.879 2.668 1 0 KFAFRO CNC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccc1)C(C)C ZINC000653719538 562908680 /nfs/dbraw/zinc/90/86/80/562908680.db2.gz LKCMCRJFTQSZRB-GKCWTWCASA-N 1 0 681.879 2.587 1 0 KFAFRO COc1c(NC(=O)C(=O)c2ccc(OCCNC(=O)C[NH3+])c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000653736003 562909694 /nfs/dbraw/zinc/90/96/94/562909694.db2.gz JHNZFRHHODDBIQ-UHFFFAOYSA-N 1 0 570.668 2.793 1 0 KFAFRO CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)c1nc(C(=O)NCCCCNC(N)=[NH2+])c(C)o1 ZINC000653748859 562910547 /nfs/dbraw/zinc/91/05/47/562910547.db2.gz YTIIXQALXOOOON-LRDDRELGSA-N 1 0 508.421 2.651 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000653751716 562910700 /nfs/dbraw/zinc/91/07/00/562910700.db2.gz NBWYFNMTMPBCRJ-HPEBZSCQSA-N 1 0 688.270 2.686 1 0 KFAFRO CC(C)C[C@@H]([C@@H](O)CC(=O)NCCc1ccc(Cl)cc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000653751750 562910702 /nfs/dbraw/zinc/91/07/02/562910702.db2.gz UUJFRWFLNCHCNB-HPEBZSCQSA-N 1 0 688.270 2.686 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653755601 562910837 /nfs/dbraw/zinc/91/08/37/562910837.db2.gz GCFMVTIUTXZRPH-GKCWTWCASA-N 1 0 681.879 2.668 1 0 KFAFRO CN1CCN(C(=O)C[NH2+][C@H]2C[C@@H]2c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)c2)CC1 ZINC000653757415 562911037 /nfs/dbraw/zinc/91/10/37/562911037.db2.gz UYZLAIWZJQKILP-AYQJTBPPSA-N 1 0 583.733 2.790 1 0 KFAFRO CN1CCN(C(=O)C[NH2+][C@H]2C[C@H]2c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)c2)CC1 ZINC000653757416 562911024 /nfs/dbraw/zinc/91/10/24/562911024.db2.gz UYZLAIWZJQKILP-CHQNGUEUSA-N 1 0 583.733 2.790 1 0 KFAFRO CN1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]2c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)c2)CC1 ZINC000653757417 562911071 /nfs/dbraw/zinc/91/10/71/562911071.db2.gz UYZLAIWZJQKILP-MJSOWUPRSA-N 1 0 583.733 2.790 1 0 KFAFRO CN1CCN(C(=O)C[NH2+][C@@H]2C[C@H]2c2cccc(OCC[C@H](NC(=O)c3ccccc3)C(=O)NCc3ccccc3)c2)CC1 ZINC000653757418 562911113 /nfs/dbraw/zinc/91/11/13/562911113.db2.gz UYZLAIWZJQKILP-RWSKJCERSA-N 1 0 583.733 2.790 1 0 KFAFRO CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])N(C)C(=O)OCc1ccccc1)[C@@H](O)CC(=O)NCCc1ccc(Cl)cc1 ZINC000653765513 562911593 /nfs/dbraw/zinc/91/15/93/562911593.db2.gz FFFLLRRZIBEMAH-HPEBZSCQSA-N 1 0 688.270 2.686 1 0 KFAFRO COc1ccc2ncc(F)c(C(=O)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000653777773 562911971 /nfs/dbraw/zinc/91/19/71/562911971.db2.gz BKDPVDLFRZUFJD-UHFFFAOYSA-N 1 0 507.522 2.948 1 0 KFAFRO COc1ccc2ncc(F)c([C@](C)(O)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000653777932 562911958 /nfs/dbraw/zinc/91/19/58/562911958.db2.gz WAYVWGLGIVGTMD-FKDZAPPDSA-N 1 0 523.565 2.973 1 0 KFAFRO COc1ccc2ncc(F)c([C@@](C)(O)CC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000653777933 562911969 /nfs/dbraw/zinc/91/19/69/562911969.db2.gz WAYVWGLGIVGTMD-JRFCFUNGSA-N 1 0 523.565 2.973 1 0 KFAFRO Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC000653782724 562912231 /nfs/dbraw/zinc/91/22/31/562912231.db2.gz HKQBFMWJTDTFQT-UHFFFAOYSA-N 1 0 526.569 2.935 1 0 KFAFRO COc1cc(Br)ccc1OCC[NH2+][C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835837 562914705 /nfs/dbraw/zinc/91/47/05/562914705.db2.gz DOTZWXOJVYIZBJ-INIZCTEOSA-N 1 0 506.441 2.901 1 0 KFAFRO COc1cc(Br)ccc1OCC[NH2+][C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653835838 562914703 /nfs/dbraw/zinc/91/47/03/562914703.db2.gz DOTZWXOJVYIZBJ-MRXNPFEDSA-N 1 0 506.441 2.901 1 0 KFAFRO CCc1cc(-c2noc(-c3sc(C[NH+](C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653843518 562915030 /nfs/dbraw/zinc/91/50/30/562915030.db2.gz QXVLOMBLUKAKCO-IBGZPJMESA-N 1 0 502.637 2.863 1 0 KFAFRO COC(=O)Cc1cccc(NC(=O)C2(C[NH3+])CCN(c3ncnc4[nH]c5c(c43)CC(F)(F)CC5)CC2)c1 ZINC000653849269 562915398 /nfs/dbraw/zinc/91/53/98/562915398.db2.gz GBGCCWYYTLPKCJ-UHFFFAOYSA-N 1 0 512.561 2.981 1 0 KFAFRO C[NH+](C)C1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653853293 562915644 /nfs/dbraw/zinc/91/56/44/562915644.db2.gz LPHIVAHXWKFNCZ-UHFFFAOYSA-N 1 0 511.652 2.748 1 0 KFAFRO CCc1cc(-c2noc(-c3cc(C)nc(C[NH+](CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653856864 562915717 /nfs/dbraw/zinc/91/57/17/562915717.db2.gz SSFFVKQYCZFLJP-QHCPKHFHSA-N 1 0 511.623 2.668 1 0 KFAFRO CCC[N@H+](C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 ZINC000653857011 562915783 /nfs/dbraw/zinc/91/57/83/562915783.db2.gz KQTGWDDGJVWKBF-QHCPKHFHSA-N 1 0 511.623 2.668 1 0 KFAFRO CCc1cc(-c2noc(-c3cc(C)nc(C[N@H+](C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653857027 562915776 /nfs/dbraw/zinc/91/57/76/562915776.db2.gz NEFXUCSKWDVFMA-DEOSSOPVSA-N 1 0 525.650 2.914 1 0 KFAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1CC(=O)OC(C)(C)C ZINC000653871491 562916406 /nfs/dbraw/zinc/91/64/06/562916406.db2.gz BAIXSQGNLALLTR-UHFFFAOYSA-N 1 0 509.655 2.994 1 0 KFAFRO CCc1cccn(-c2ccc(-c3cc4cnc(NC)nc4n(C[C@H]4C[NH2+]CCO4)c3=O)c(Cl)c2)c1=O ZINC000653899299 562917453 /nfs/dbraw/zinc/91/74/53/562917453.db2.gz QGBBLDRMFCNXMM-LJQANCHMSA-N 1 0 506.994 2.855 1 0 KFAFRO COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)N4CCC([NH+]5CCCCC5)CC4)cc3)c(=O)c2cc1OC ZINC000009936378 561709179 /nfs/dbraw/zinc/70/91/79/561709179.db2.gz JPAYHVPIPLTWMV-UHFFFAOYSA-N 1 0 506.603 2.846 3 0 KFAFRO C[NH+](C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(S(C)(=O)=O)cc4)cn23)c1 ZINC000061903031 562702962 /nfs/dbraw/zinc/70/29/62/562702962.db2.gz FNNJANPOESPBOH-UHFFFAOYSA-N 1 0 505.600 2.932 3 0 KFAFRO COc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921218 562703186 /nfs/dbraw/zinc/70/31/86/562703186.db2.gz XUAGDOBFNFJACI-QTDDQOEGSA-N 1 0 512.404 2.894 3 0 KFAFRO Cc1cn([C@H]2C[C@H](O)[C@@H](C[NH2+]Cc3cc(Br)ccc3OCc3ccccc3)O2)c(=O)[nH]c1=O ZINC000061922293 562703323 /nfs/dbraw/zinc/70/33/23/562703323.db2.gz VRXFZHIYWSWAMB-KSEOMHKRSA-N 1 0 516.392 2.625 3 0 KFAFRO COc1cc(C[NH2+]C[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2O)ccc1OCc1cccc(Cl)c1 ZINC000061922302 562703331 /nfs/dbraw/zinc/70/33/31/562703331.db2.gz ZKNFWVYNQQSOOJ-WWPVKYPJSA-N 1 0 501.967 2.524 3 0 KFAFRO COc1ccc(C[NH+](CCCn2cnc3c2ncnc3OC)CCCn2cnc3c2ncnc3OC)cc1 ZINC000061922646 562703385 /nfs/dbraw/zinc/70/33/85/562703385.db2.gz XVOWWARWPGTMKT-UHFFFAOYSA-N 1 0 517.594 2.974 3 0 KFAFRO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000061944915 562703820 /nfs/dbraw/zinc/70/38/20/562703820.db2.gz LOCPFVBARJWGNB-AJUGZHKCSA-N 1 0 537.705 2.883 3 0 KFAFRO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000061944918 562703831 /nfs/dbraw/zinc/70/38/31/562703831.db2.gz LOCPFVBARJWGNB-VNOSDSGASA-N 1 0 537.705 2.883 3 0 KFAFRO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000061944938 562703846 /nfs/dbraw/zinc/70/38/46/562703846.db2.gz MFUMDAGNSMYJJY-CERFGUIQSA-N 1 0 525.694 2.739 3 0 KFAFRO CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000061944941 562703843 /nfs/dbraw/zinc/70/38/43/562703843.db2.gz MFUMDAGNSMYJJY-BWGXUDETSA-N 1 0 525.694 2.739 3 0 KFAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C1CCC(O)CC1)CCC(=O)N2C ZINC000061959254 562704315 /nfs/dbraw/zinc/70/43/15/562704315.db2.gz BRHMWNJLFOQRIN-UHFFFAOYSA-N 1 0 537.665 2.529 3 0 KFAFRO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@H](C(=O)N3CCCCC3)[C@@]12C ZINC000064658554 562709001 /nfs/dbraw/zinc/70/90/01/562709001.db2.gz NZQQNXZTXOFCQT-NGCWJHASSA-N 1 0 606.812 2.895 3 0 KFAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000066123238 562712472 /nfs/dbraw/zinc/71/24/72/562712472.db2.gz MIRHJXKFLNBQHA-OBWXTZQISA-N 1 0 576.485 2.971 3 0 KFAFRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc32)[C@@H](O)[C@H]1O ZINC000066123345 562712488 /nfs/dbraw/zinc/71/24/88/562712488.db2.gz NRJQCEAGVZDHNP-ZYWWQZICSA-N 1 0 530.560 2.689 3 0 KFAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000066124237 562712653 /nfs/dbraw/zinc/71/26/53/562712653.db2.gz YVKRAICGXOBLME-PMACEKPBSA-N 1 0 543.665 2.662 3 0 KFAFRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]Cc2ccccc2OCc2ccc(Cl)cc2Cl)[C@@H](O)[C@H]1O ZINC000066157226 562713907 /nfs/dbraw/zinc/71/39/07/562713907.db2.gz AOAMRHBBCQPLNX-UMCMBGNQSA-N 1 0 531.400 2.703 3 0 KFAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066166145 562714058 /nfs/dbraw/zinc/71/40/58/562714058.db2.gz CMOIEZPWGNOVII-MXSNXVCKSA-N 1 0 575.710 2.981 3 0 KFAFRO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cn3cnnn3)cc2CC1=O ZINC000066167299 562714348 /nfs/dbraw/zinc/71/43/48/562714348.db2.gz SAAIUGGBRNALEK-QJMRKGMQSA-N 1 0 590.512 2.900 3 0 KFAFRO CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127753 562725961 /nfs/dbraw/zinc/72/59/61/562725961.db2.gz DGDOXSVTWALFSR-WJFJWEARSA-N 1 0 715.896 2.850 3 0 KFAFRO Cc1cc(C)c(C[NH+]2CCN(C(=O)CC[C@H]3O[C@@H](n4cnc5c4ncnc5NC(=O)c4ccccc4)[C@H](O)[C@@H]3O)CC2)c(C)c1 ZINC000072137477 562728259 /nfs/dbraw/zinc/72/82/59/562728259.db2.gz VGPKTHQRKZTFMP-ABACMYBCSA-N 1 0 613.719 2.748 3 0 KFAFRO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C ZINC000072137741 562728377 /nfs/dbraw/zinc/72/83/77/562728377.db2.gz XGHIVDYJIOSCMG-CBBCSGBYSA-N 1 0 594.801 2.751 3 0 KFAFRO Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)[C@@H](O)[C@H]1O ZINC000072137789 562728423 /nfs/dbraw/zinc/72/84/23/562728423.db2.gz NIPGWRAWJUJHNE-QTQZEZTPSA-N 1 0 524.887 2.750 3 0 KFAFRO CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072141278 562729345 /nfs/dbraw/zinc/72/93/45/562729345.db2.gz UZZBXISGHPZSFW-IFUAKQGFSA-N 1 0 625.214 2.986 3 0 KFAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CC[NH+]2CCCCC2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072142882 562729674 /nfs/dbraw/zinc/72/96/74/562729674.db2.gz QFNUSQGYMOISEO-BBTUJRGHSA-N 1 0 546.528 2.552 3 0 KFAFRO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000084602773 562744101 /nfs/dbraw/zinc/74/41/01/562744101.db2.gz KBHITNAOUFRUIY-AFXICUAISA-N 1 0 646.789 2.838 3 0 KFAFRO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000084602775 562744091 /nfs/dbraw/zinc/74/40/91/562744091.db2.gz KBHITNAOUFRUIY-JOMWIRRTSA-N 1 0 646.789 2.838 3 0 KFAFRO C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)CC[NH+]2CCCCC2)Oc2cc(Br)ccc2S1(=O)=O ZINC000095567248 562765625 /nfs/dbraw/zinc/76/56/25/562765625.db2.gz QFNUSQGYMOISEO-WFXMLNOXSA-N 1 0 546.528 2.552 3 0 KFAFRO O=C(CC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=O)c2ccccc2)[C@H](O)[C@@H]1O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095604345 562780966 /nfs/dbraw/zinc/78/09/66/562780966.db2.gz BQUXDZXNFSTBSZ-SLXDEKLDSA-N 1 0 599.692 2.506 3 0 KFAFRO