smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]Cc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O ZINC000001491960 561676375 /nfs/dbraw/zinc/67/63/75/561676375.db2.gz WJVLTXKAUHPMNM-UHFFFAOYSA-N 1 0 513.332 2.163 1 0 KEAFRO Cn1nc(C(=O)NCC[NH+](C)CCNC(=O)c2nn(C)c3c2Cc2ccccc2-3)c2c1-c1ccccc1C2 ZINC000001658499 561678958 /nfs/dbraw/zinc/67/89/58/561678958.db2.gz HSGLAZWMTIZDEE-UHFFFAOYSA-N 1 0 509.614 2.388 1 0 KEAFRO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CCF)CC2)C1 ZINC000003814112 561682699 /nfs/dbraw/zinc/68/26/99/561682699.db2.gz GEZNEYLXCQEASF-IBGZPJMESA-N 1 0 510.680 2.189 1 0 KEAFRO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CC(F)F)CC2)C1 ZINC000003814121 561682858 /nfs/dbraw/zinc/68/28/58/561682858.db2.gz MEKRRTVQTNWFTP-SFHVURJKSA-N 1 0 528.670 2.485 1 0 KEAFRO CC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 ZINC000003834121 561683747 /nfs/dbraw/zinc/68/37/47/561683747.db2.gz NSQCDLQXFJKPMZ-YZIHRLCOSA-N 1 0 502.681 2.455 1 0 KEAFRO COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2c(C)cc(C)cc2C)CC1 ZINC000003834141 561683734 /nfs/dbraw/zinc/68/37/34/561683734.db2.gz BNYYIHNNEJFYDY-QFIPXVFZSA-N 1 0 514.648 2.197 1 0 KEAFRO COC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000003834150 561683757 /nfs/dbraw/zinc/68/37/57/561683757.db2.gz AMFFOPLMFPHBEI-GOTSBHOMSA-N 1 0 508.600 2.177 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000003914832 561684548 /nfs/dbraw/zinc/68/45/48/561684548.db2.gz PWAMRQBZIMSSPD-XFTNXAEASA-N 1 0 616.763 2.066 1 0 KEAFRO NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000003915258 561684712 /nfs/dbraw/zinc/68/47/12/561684712.db2.gz CBXFHPCTSWVLQQ-DSRFHYBVSA-N 1 0 728.850 2.272 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C2 ZINC000003915327 561684716 /nfs/dbraw/zinc/68/47/16/561684716.db2.gz SOXQJPCRICFUHO-QTRWAJEPSA-N 1 0 565.802 2.369 1 0 KEAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)n(C)c1 ZINC000003917841 561685326 /nfs/dbraw/zinc/68/53/26/561685326.db2.gz KOOUJYPZUNDPFO-UHFFFAOYSA-N 1 0 586.451 2.110 1 0 KEAFRO CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(C)(C)[NH3+] ZINC000003935756 561688476 /nfs/dbraw/zinc/68/84/76/561688476.db2.gz ICWPMXDQQGBJQA-FRXPANAUSA-N 1 0 625.774 2.213 1 0 KEAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000003950764 561690356 /nfs/dbraw/zinc/69/03/56/561690356.db2.gz DMMNMIJPRNMLBQ-DEOSSOPVSA-N 1 0 570.597 2.499 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000003973626 561691786 /nfs/dbraw/zinc/69/17/86/561691786.db2.gz RKLMJYJBGYXOFV-ZBBOUCKSSA-N 1 0 624.742 2.065 1 0 KEAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])s1)C(c1ccccc1)c1ccccc1 ZINC000003976736 561692004 /nfs/dbraw/zinc/69/20/04/561692004.db2.gz CRPPBRFZGAUWJM-XUZZJYLKSA-N 1 0 553.710 2.389 1 0 KEAFRO C[C@H](Cc1ccc2[nH]c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2c1)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000003987636 561693026 /nfs/dbraw/zinc/69/30/26/561693026.db2.gz PRFZKEKERRWRMV-CRYYWNKWSA-N 1 0 552.653 2.197 1 0 KEAFRO CC(=[NH2+])N1CCC(Oc2ccc3c(c2)C[C@@H](/C=C/c2cc(C(N)=[NH2+])ccc2O)N3S(=O)(=O)CC(=O)[O-])CC1 ZINC000003992640 561693572 /nfs/dbraw/zinc/69/35/72/561693572.db2.gz QEANYZQLUDFOKO-BWAYSKCSSA-N 1 0 541.630 2.376 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)C(c4ccccc4)c4ccccc4)CC(=O)N32)cc1 ZINC000003994223 561693626 /nfs/dbraw/zinc/69/36/26/561693626.db2.gz KXRPLCMLFFPZOI-DQEYMECFSA-N 1 0 545.665 2.381 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)[NH+](C)C)C(=O)N1CC[C@@H]2Oc3ccc(c(O)c3)/C=C\NC(=O)[C@@H]3CCCN3C(=O)[C@H]21 ZINC000004098504 560195799 /nfs/dbraw/zinc/19/57/99/560195799.db2.gz BRUITOXHBSVJME-IIMYRAIISA-N 1 0 597.757 2.339 1 0 in-vitro KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCC[NH+](C)C)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1O ZINC000006716965 561702966 /nfs/dbraw/zinc/70/29/66/561702966.db2.gz XBKQXRUYPVPAMF-DCHFCWSPSA-N 1 0 514.531 2.402 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000006716966 561702939 /nfs/dbraw/zinc/70/29/39/561702939.db2.gz WXSVCTCWUBXPAW-JNTAVDMJSA-N 1 0 514.531 2.402 1 0 KEAFRO C[N@@H+]1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000008035129 561704246 /nfs/dbraw/zinc/70/42/46/561704246.db2.gz LUZRJRNZXALNLM-AHGHVLCBSA-N 1 0 583.689 2.081 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000008035534 561704488 /nfs/dbraw/zinc/70/44/88/561704488.db2.gz LUZRJRNZXALNLM-LIOBXQQOSA-N 1 0 583.689 2.081 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000008036002 561705004 /nfs/dbraw/zinc/70/50/04/561705004.db2.gz LUZRJRNZXALNLM-WHVWHDPISA-N 1 0 583.689 2.081 1 0 KEAFRO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCN(c3cc(C)ccc3C)CC1)C(=O)CO2 ZINC000008583499 561705846 /nfs/dbraw/zinc/70/58/46/561705846.db2.gz BSBLPXBAJZUGID-UHFFFAOYSA-N 1 0 571.744 2.388 1 0 KEAFRO 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]2NC(=O)O[C@@]21C ZINC000009575039 561709109 /nfs/dbraw/zinc/70/91/09/561709109.db2.gz RMVAEUQFMIIYFL-UABILYANSA-N 1 0 612.761 2.478 1 0 KEAFRO CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H](n2cnc3c2nc(Cl)nc3NCc2cccc(I)c2)O1 ZINC000012405876 561710761 /nfs/dbraw/zinc/71/07/61/561710761.db2.gz BJVZKVDNIYWWSB-NVGCLXPQSA-N 1 0 527.754 2.057 1 0 KEAFRO COC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012501048 561711098 /nfs/dbraw/zinc/71/10/98/561711098.db2.gz JJLGQWCKMHPBEB-XMMPIXPASA-N 1 0 522.627 2.425 1 0 KEAFRO COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000012501050 561711108 /nfs/dbraw/zinc/71/11/08/561711108.db2.gz JJLGQWCKMHPBEB-DEOSSOPVSA-N 1 0 522.627 2.425 1 0 in-vivo KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000013472301 561714228 /nfs/dbraw/zinc/71/42/28/561714228.db2.gz SYOVEDOWOXNOJG-SVBPBHIXSA-N 1 0 514.626 2.265 1 0 in-vivo KEAFRO NC(=O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2c[nH+]ccc21 ZINC000013493285 561716618 /nfs/dbraw/zinc/71/66/18/561716618.db2.gz UVJOUYXWFNHFIO-UHFFFAOYSA-N 1 0 518.020 2.423 1 0 KEAFRO C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(C)=O ZINC000013493969 561716655 /nfs/dbraw/zinc/71/66/55/561716655.db2.gz KIOKYWNVHYEPOP-JWQCQUIFSA-N 1 0 502.619 2.496 1 0 KEAFRO O=CN[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC[NH2+]CC1 ZINC000013493971 561716603 /nfs/dbraw/zinc/71/66/03/561716603.db2.gz RECAIIPHQYWZHM-CLJLJLNGSA-N 1 0 500.603 2.107 1 0 KEAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC[NH2+]CC1 ZINC000013493972 561716687 /nfs/dbraw/zinc/71/66/87/561716687.db2.gz WNTBTMKJYOUUFC-KAYWLYCHSA-N 1 0 514.630 2.497 1 0 KEAFRO CCCCOc1ccc(S(=O)(=O)N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 ZINC000013534458 561717787 /nfs/dbraw/zinc/71/77/87/561717787.db2.gz VAIAAMJBMMSBQV-JPYJTQIMSA-N 1 0 527.665 2.029 1 0 KEAFRO CCCCOc1ccc(S(=O)(=O)N2CC[C@H]([NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 ZINC000013534463 561717763 /nfs/dbraw/zinc/71/77/63/561717763.db2.gz VAIAAMJBMMSBQV-MBSDFSHPSA-N 1 0 527.665 2.029 1 0 KEAFRO [NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)CC1 ZINC000013537316 561717844 /nfs/dbraw/zinc/71/78/44/561717844.db2.gz JKZRXHLCGAKBPH-UKTLEQMESA-N 1 0 526.703 2.342 1 0 KEAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCOCCOc2ccccc2CN1 ZINC000013537341 561718034 /nfs/dbraw/zinc/71/80/34/561718034.db2.gz AVJHADKKBIXATH-NRFANRHFSA-N 1 0 512.010 2.235 1 0 KEAFRO COc1ccccc1N1CC[NH+](CCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1 ZINC000013558461 561719293 /nfs/dbraw/zinc/71/92/93/561719293.db2.gz FMXKHMHOLYBGEY-UHFFFAOYSA-N 1 0 506.607 2.020 1 0 KEAFRO COc1ccccc1N1CC[NH+](CCCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1 ZINC000013558463 561719338 /nfs/dbraw/zinc/71/93/38/561719338.db2.gz CSYPSGRDQKEPHI-UHFFFAOYSA-N 1 0 520.634 2.410 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccncc1 ZINC000013580779 561720030 /nfs/dbraw/zinc/72/00/30/561720030.db2.gz MXIHUIGGQHQAKV-SDHOMARFSA-N 1 0 501.587 2.014 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 ZINC000013580781 561720113 /nfs/dbraw/zinc/72/01/13/561720113.db2.gz GVTHEAKCIMBDCQ-SDHOMARFSA-N 1 0 501.587 2.014 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1 ZINC000013580784 561720084 /nfs/dbraw/zinc/72/00/84/561720084.db2.gz GJVQUIWYPJWEKW-HJOGWXRNSA-N 1 0 501.587 2.014 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000013580788 561720105 /nfs/dbraw/zinc/72/01/05/561720105.db2.gz ONHHMRCXRCJFAN-GSDHBNRESA-N 1 0 506.647 2.429 1 0 KEAFRO CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[NH+]1CCN(C(C)=O)CC1)CCCC3)C(=O)N2 ZINC000013588490 561720957 /nfs/dbraw/zinc/72/09/57/561720957.db2.gz NHYSPGCAHBHQND-QJOMJCCJSA-N 1 0 525.675 2.391 1 0 KEAFRO C[NH+](C)CCNC(=O)c1ccc(-c2n[nH]c3c2C(=O)c2c-3cccc2NC(=O)NN2CCOCC2)s1 ZINC000013588759 561721214 /nfs/dbraw/zinc/72/12/14/561721214.db2.gz PHNNIVRQGUGZRH-UHFFFAOYSA-N 1 0 509.592 2.010 1 0 KEAFRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000013588765 561721221 /nfs/dbraw/zinc/72/12/21/561721221.db2.gz KEKLTEIVXIIFTA-CQSZACIVSA-N 1 0 521.603 2.152 1 0 KEAFRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000013588766 561721152 /nfs/dbraw/zinc/72/11/52/561721152.db2.gz KEKLTEIVXIIFTA-AWEZNQCLSA-N 1 0 521.603 2.152 1 0 KEAFRO O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)N4CCC[NH2+]CC4)s3)n[nH]c1-2)NN1CCOCC1 ZINC000013588768 561721265 /nfs/dbraw/zinc/72/12/65/561721265.db2.gz MGLCYKLRRMBDTH-UHFFFAOYSA-N 1 0 521.603 2.154 1 0 KEAFRO CN(C)c1ccc(O)c(C(=O)c2ccc(C(=O)N[C@@H]3CCC[NH2+]C[C@H]3NC(=O)c3ccncc3)cc2)c1 ZINC000013607062 561721705 /nfs/dbraw/zinc/72/17/05/561721705.db2.gz NYQLXXDGJNYPPH-DNQXCXABSA-N 1 0 501.587 2.365 1 0 in-vitro KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCC[NH3+])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000013608240 561721737 /nfs/dbraw/zinc/72/17/37/561721737.db2.gz UKVGQCLRUPKXFR-HJIBZVINSA-N 1 0 500.504 2.189 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCC[NH3+])[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1O ZINC000013608244 561721901 /nfs/dbraw/zinc/72/19/01/561721901.db2.gz CSJBDAVWGSHIMB-UPYFZQQASA-N 1 0 500.504 2.189 1 0 KEAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CS(=O)(=O)c3ccccc32)CC1 ZINC000013687582 561724882 /nfs/dbraw/zinc/72/48/82/561724882.db2.gz BDOOTOZOBIQTOH-JOCHJYFZSA-N 1 0 508.644 2.280 1 0 KEAFRO CCN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)[NH3+])C[C@]2(Cc2ccccc2)C1=O ZINC000013687652 561724903 /nfs/dbraw/zinc/72/49/03/561724903.db2.gz UBEBVVBBTDUZKB-BTYSJIOQSA-N 1 0 519.646 2.105 1 0 KEAFRO CS(=O)(=O)Nc1ccc(CC[NH+]2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1 ZINC000013728491 561725158 /nfs/dbraw/zinc/72/51/58/561725158.db2.gz SBEXAKLNNFRGOH-UHFFFAOYSA-N 1 0 507.634 2.472 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]([NH3+])CCC(N)=O)C2 ZINC000013734632 561725564 /nfs/dbraw/zinc/72/55/64/561725564.db2.gz HUBWQAUQKKUZCD-WIIJNUNGSA-N 1 0 530.735 2.200 1 0 KEAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+])C(=O)N[C@H](CO)Cc1ccccc1 ZINC000013737691 561725693 /nfs/dbraw/zinc/72/56/93/561725693.db2.gz ORMRPHSEUYUJAC-GSDHBNRESA-N 1 0 510.679 2.094 1 0 KEAFRO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH3+])C(c2ccccc2)c2ccccc2)cc1 ZINC000013779039 561728805 /nfs/dbraw/zinc/72/88/05/561728805.db2.gz PMYHFLOBZXJRBP-UKILVPOCSA-N 1 0 506.628 2.101 1 0 KEAFRO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000013782555 561729700 /nfs/dbraw/zinc/72/97/00/561729700.db2.gz KKNAAPVJEPGURT-ISKFKSNPSA-N 1 0 522.627 2.425 1 0 KEAFRO COC(=O)[C@H]1CCCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000013782556 561729879 /nfs/dbraw/zinc/72/98/79/561729879.db2.gz KKNAAPVJEPGURT-LADGPHEKSA-N 1 0 522.627 2.425 1 0 KEAFRO COC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000013782869 561729816 /nfs/dbraw/zinc/72/98/16/561729816.db2.gz KKNAAPVJEPGURT-UPVQGACJSA-N 1 0 522.627 2.425 1 0 KEAFRO CNC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013782871 561729867 /nfs/dbraw/zinc/72/98/67/561729867.db2.gz DISOALCEZYDTJI-BJKOFHAPSA-N 1 0 521.643 2.141 1 0 KEAFRO COC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799318 561730372 /nfs/dbraw/zinc/73/03/72/561730372.db2.gz CSZCUWDVIVOGJP-RUZDIDTESA-N 1 0 507.572 2.433 1 0 KEAFRO COC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799322 561730378 /nfs/dbraw/zinc/73/03/78/561730378.db2.gz CSZCUWDVIVOGJP-VWLOTQADSA-N 1 0 507.572 2.433 1 0 KEAFRO CCOC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799367 561730376 /nfs/dbraw/zinc/73/03/76/561730376.db2.gz MJYHESARPKNXPY-RUZDIDTESA-N 1 0 522.587 2.218 1 0 KEAFRO CCOC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799369 561730394 /nfs/dbraw/zinc/73/03/94/561730394.db2.gz MJYHESARPKNXPY-VWLOTQADSA-N 1 0 522.587 2.218 1 0 KEAFRO CCCOc1ccc(S(=O)(=O)N(CC)CC[NH+](C)C)cc1-c1nc2c([nH]1)n(CC(C)C)c(=O)n(C)c2=O ZINC000013818353 561732409 /nfs/dbraw/zinc/73/24/09/561732409.db2.gz QLDHAZGAAUZOIP-UHFFFAOYSA-N 1 0 534.683 2.107 1 0 KEAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000013981573 561736038 /nfs/dbraw/zinc/73/60/38/561736038.db2.gz GABBGRJQCMHDRB-QGZVFWFLSA-N 1 0 532.649 2.442 1 0 KEAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096341 561736456 /nfs/dbraw/zinc/73/64/56/561736456.db2.gz DMMNMIJPRNMLBQ-XMMPIXPASA-N 1 0 570.597 2.499 1 0 KEAFRO CC(=[NH2+])N1CCC(Oc2ccc3c(c2)C[C@H](/C=C/c2cc(C(N)=[NH2+])ccc2O)N3S(=O)(=O)CC(=O)[O-])CC1 ZINC000014163409 561737160 /nfs/dbraw/zinc/73/71/60/561737160.db2.gz QEANYZQLUDFOKO-VCZAROPJSA-N 1 0 541.630 2.376 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000014285501 561739012 /nfs/dbraw/zinc/73/90/12/561739012.db2.gz HLGLOFWWPYOSAE-ZWDYZTTJSA-N 1 0 633.749 2.156 1 0 KEAFRO CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1ccc(N)cc1 ZINC000014943175 561741077 /nfs/dbraw/zinc/74/10/77/561741077.db2.gz ZYGJIVAYVQHQAD-ZXYZSCNASA-N 1 0 631.840 2.425 1 0 KEAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000014943223 561741146 /nfs/dbraw/zinc/74/11/46/561741146.db2.gz YBGCMTJQLKVFHV-PWYGJFRWSA-N 1 0 570.694 2.489 1 0 KEAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000014943224 561741177 /nfs/dbraw/zinc/74/11/77/561741177.db2.gz YBGCMTJQLKVFHV-JGPNGPNASA-N 1 0 570.694 2.489 1 0 KEAFRO O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000014944130 561742164 /nfs/dbraw/zinc/74/21/64/561742164.db2.gz RHPDVSROMSAMDQ-YBGOQADZSA-N 1 0 534.521 2.476 1 0 KEAFRO O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000014944132 561742176 /nfs/dbraw/zinc/74/21/76/561742176.db2.gz RHPDVSROMSAMDQ-KPCPBYSCSA-N 1 0 534.521 2.476 1 0 KEAFRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000014945274 561743025 /nfs/dbraw/zinc/74/30/25/561743025.db2.gz ILXFRGYJRQPMCO-OAHLLOKOSA-N 1 0 535.630 2.494 1 0 KEAFRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)C1 ZINC000014945277 561743017 /nfs/dbraw/zinc/74/30/17/561743017.db2.gz ILXFRGYJRQPMCO-HNNXBMFYSA-N 1 0 535.630 2.494 1 0 KEAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccc(Br)cc1)C(N)=O ZINC000014945942 561743475 /nfs/dbraw/zinc/74/34/75/561743475.db2.gz IZXMGPHRTJQLGQ-FWEHEUNISA-N 1 0 610.553 2.373 1 0 KEAFRO COc1ccc(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)[NH2+]Cc2cc(Cl)ccc2-n2cnnn2)cc1 ZINC000014950197 561745461 /nfs/dbraw/zinc/74/54/61/561745461.db2.gz YDLJMVKRFGITPS-UKILVPOCSA-N 1 0 543.049 2.365 1 0 KEAFRO COc1ccc(-n2nc(C[NH3+])c3ncn(-c4ccc(-c5ccccc5S(N)(=O)=O)cc4)c(=O)c32)cc1 ZINC000014950503 561745549 /nfs/dbraw/zinc/74/55/49/561745549.db2.gz VRIDMBGQPVACOS-UHFFFAOYSA-N 1 0 502.556 2.353 1 0 KEAFRO CC(C)C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000014951602 561746168 /nfs/dbraw/zinc/74/61/68/561746168.db2.gz CFOZOOXNCIABHM-FKBYEOEOSA-N 1 0 604.753 2.268 1 0 KEAFRO CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000014951607 561746110 /nfs/dbraw/zinc/74/61/10/561746110.db2.gz RLDZHJFLIIOAIL-FKBYEOEOSA-N 1 0 586.763 2.129 1 0 KEAFRO COc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)[C@@H](CC[NH3+])OC[C@@H]2Cc2ccccc2)CC2CCCC2)cc1 ZINC000014953662 561746755 /nfs/dbraw/zinc/74/67/55/561746755.db2.gz UNKRIVFTEBBFTP-BXTSTYNKSA-N 1 0 559.729 2.425 1 0 KEAFRO CC(C)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1 ZINC000014960403 561748361 /nfs/dbraw/zinc/74/83/61/561748361.db2.gz NQPODBUQGCOYHO-BJKOFHAPSA-N 1 0 501.649 2.375 1 0 KEAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH3+])cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014961376 561748426 /nfs/dbraw/zinc/74/84/26/561748426.db2.gz ASSLNEHQIJFAJZ-YKQNXRHISA-N 1 0 556.660 2.373 1 0 KEAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNS(C)(=O)=O)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966466 561749965 /nfs/dbraw/zinc/74/99/65/561749965.db2.gz WAMCIKGNVJZNAS-DEOSSOPVSA-N 1 0 532.573 2.339 1 0 KEAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNS(C)(=O)=O)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966470 561749998 /nfs/dbraw/zinc/74/99/98/561749998.db2.gz WAMCIKGNVJZNAS-XMMPIXPASA-N 1 0 532.573 2.339 1 0 KEAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC ZINC000014967553 561750087 /nfs/dbraw/zinc/75/00/87/561750087.db2.gz LUQYTWLZRBBVRC-DNZIZEQUSA-N 1 0 537.742 2.478 1 0 KEAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC ZINC000014967609 561750046 /nfs/dbraw/zinc/75/00/46/561750046.db2.gz IPMQMJROMZDCGF-SWUCNREESA-N 1 0 509.688 2.411 1 0 KEAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC ZINC000014967627 561750119 /nfs/dbraw/zinc/75/01/19/561750119.db2.gz FXYJEKVEPVJLQA-DLTYFMDKSA-N 1 0 509.688 2.282 1 0 KEAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC ZINC000014967639 561750107 /nfs/dbraw/zinc/75/01/07/561750107.db2.gz YNBOCEDDDXTHSP-KAMZKSLDSA-N 1 0 559.770 2.037 1 0 KEAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014967662 561750220 /nfs/dbraw/zinc/75/02/20/561750220.db2.gz TZAKQUYZOZTKGV-MLCQCVOFSA-N 1 0 509.688 2.267 1 0 KEAFRO CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000017611371 561757051 /nfs/dbraw/zinc/75/70/51/561757051.db2.gz UJYGDMFEEDNVBF-CYAGOSPFSA-N 1 0 561.683 2.040 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000017611690 561757063 /nfs/dbraw/zinc/75/70/63/561757063.db2.gz LUZRJRNZXALNLM-ODNLFQIASA-N 1 0 583.689 2.081 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000017611692 561757083 /nfs/dbraw/zinc/75/70/83/561757083.db2.gz LUZRJRNZXALNLM-MLTMJROCSA-N 1 0 583.689 2.081 1 0 KEAFRO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cnc3ccccc3n2)CC1)c1cnc2ccccc2n1 ZINC000019369900 561758513 /nfs/dbraw/zinc/75/85/13/561758513.db2.gz SYQWLYWZRUUPLB-UHFFFAOYSA-N 1 0 512.618 2.131 1 0 KEAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCOCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022039895 561759004 /nfs/dbraw/zinc/75/90/04/561759004.db2.gz XJELDDZCOWMPQO-XELASAAXSA-N 1 0 512.559 2.036 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022450118 561759260 /nfs/dbraw/zinc/75/92/60/561759260.db2.gz XJELDDZCOWMPQO-LVEBQJTPSA-N 1 0 512.559 2.036 1 0 KEAFRO CN(C)CC[N@H+]([C@@H](CC(=O)[O-])C(=O)N1CCCC[C@@H]1CCOC1CCN(C(N)=[NH2+])CC1)C1CCCCC1 ZINC000022925822 561759686 /nfs/dbraw/zinc/75/96/86/561759686.db2.gz PSLPAJLOVQIPSO-VWNXMTODSA-N 1 0 522.735 2.172 1 0 KEAFRO CCOC(=O)CN1CC[NH+](CCCc2c(/C=C3\C(=O)Nc4ccc(S(=O)(=O)NC)cc43)[nH]c3c2CCCC3)CC1 ZINC000023310409 561761597 /nfs/dbraw/zinc/76/15/97/561761597.db2.gz WJAKMUHDSIHSPY-MOHJPFBDSA-N 1 0 569.728 2.408 1 0 KEAFRO CCC[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 ZINC000023357710 561761606 /nfs/dbraw/zinc/76/16/06/561761606.db2.gz KIUZLKJJOFIWAW-OFOQQJIRSA-N 1 0 594.819 2.207 1 0 KEAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C(C)C)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357714 561761613 /nfs/dbraw/zinc/76/16/13/561761613.db2.gz OBYKBHXLZYEYIL-OFOQQJIRSA-N 1 0 594.819 2.206 1 0 KEAFRO CC(C)C[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 ZINC000023357719 561761556 /nfs/dbraw/zinc/76/15/56/561761556.db2.gz MKOFHUCSPZPDFD-UZSVIBPSSA-N 1 0 608.846 2.453 1 0 KEAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357734 561761632 /nfs/dbraw/zinc/76/16/32/561761632.db2.gz WHDODXPIRGKCQX-UZSVIBPSSA-N 1 0 606.830 2.350 1 0 KEAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+]([C@@H]3CCSC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357740 561761625 /nfs/dbraw/zinc/76/16/25/561761625.db2.gz WXZWZEOFGKINDU-FMVBRQDBSA-N 1 0 638.897 2.303 1 0 KEAFRO NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2C[NH2+]C[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000024903340 561762582 /nfs/dbraw/zinc/76/25/82/561762582.db2.gz SSQKDDJMCKLBOH-KYJUHHDHSA-N 1 0 647.779 2.307 1 0 in-vitro KEAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)C(CCC[NH3+])CCC[NH3+])C(C)(C)C)C(=O)[O-] ZINC000025964639 561763001 /nfs/dbraw/zinc/76/30/01/561763001.db2.gz GBKKQCVVANVNHX-VZNYXHRGSA-N 1 0 683.895 2.427 1 0 KEAFRO NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C(c2ccccc2)c2ccccc2)cc1 ZINC000025966761 561763154 /nfs/dbraw/zinc/76/31/54/561763154.db2.gz PMYHFLOBZXJRBP-ZCYQVOJMSA-N 1 0 506.628 2.101 1 0 KEAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C[NH3+])c(N)c1)C(c1ccccc1)c1ccccc1 ZINC000025971702 561763271 /nfs/dbraw/zinc/76/32/71/561763271.db2.gz WAFBSFYQSVKSCU-AHKZPQOWSA-N 1 0 549.697 2.085 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C(c2ccccc2)c2ccccc2)cc1 ZINC000025974476 561763384 /nfs/dbraw/zinc/76/33/84/561763384.db2.gz ZJLAXTDVOPOJCG-RPLLCQBOSA-N 1 0 527.625 2.453 1 0 KEAFRO CS(=O)(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(c1ccccc1)c1ccccc1 ZINC000025975374 561763562 /nfs/dbraw/zinc/76/35/62/561763562.db2.gz SJIGBLXECWIEFM-AZGAKELHSA-N 1 0 547.681 2.328 1 0 KEAFRO CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000025975469 561763504 /nfs/dbraw/zinc/76/35/04/561763504.db2.gz GDGNUENLKMKSGL-UXHICEINSA-N 1 0 540.473 2.045 1 0 KEAFRO CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=[NH2+])NN)s1)C(c1ccccc1)c1ccccc1 ZINC000025976396 561763485 /nfs/dbraw/zinc/76/34/85/561763485.db2.gz JFZYCDPARKZQMZ-WIOPSUGQSA-N 1 0 532.670 2.481 1 0 KEAFRO CCNC(=O)NC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=[NH+]O1 ZINC000025983822 561764061 /nfs/dbraw/zinc/76/40/61/561764061.db2.gz PBVGHOGZTHOKGU-RUZDIDTESA-N 1 0 572.047 2.453 1 0 KEAFRO CCNC(=O)NC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2ccc(Cl)c(N)c2)=[NH+]O1 ZINC000025983834 561764155 /nfs/dbraw/zinc/76/41/55/561764155.db2.gz PBVGHOGZTHOKGU-VWLOTQADSA-N 1 0 572.047 2.453 1 0 KEAFRO CN[C@@H]([NH3+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000025994120 561764937 /nfs/dbraw/zinc/76/49/37/561764937.db2.gz HROCVSSGJITHAQ-XNMGPUDCSA-N 1 0 537.686 2.035 1 0 KEAFRO CN[C@H]([NH3+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000025994129 561764966 /nfs/dbraw/zinc/76/49/66/561764966.db2.gz HROCVSSGJITHAQ-VPUSJEBWSA-N 1 0 537.686 2.035 1 0 KEAFRO CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3CC)cn2CC)cc1C(=O)NCCC(N)=[NH2+] ZINC000025996185 561765050 /nfs/dbraw/zinc/76/50/50/561765050.db2.gz GGMQCKNGZWEJLW-UHFFFAOYSA-N 1 0 523.598 2.280 1 0 KEAFRO NC(=O)Nc1cccc(O[P@](=O)(OC2=CC=C[C@H](NC(N)=O)C2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000025997127 561765203 /nfs/dbraw/zinc/76/52/03/561765203.db2.gz SIDJPQQFYFLFOI-PFNNTHGISA-N 1 0 518.511 2.347 1 0 KEAFRO COC(=O)[C@H](Cc1ccc(OP(=O)(Oc2ccc(C[C@H](NC(C)=O)C(=O)OC)cc2)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1)NC(C)=O ZINC000025998710 561765214 /nfs/dbraw/zinc/76/52/14/561765214.db2.gz HPIRRXTXDVXXEI-GCXHJFECSA-N 1 0 686.699 2.478 1 0 KEAFRO Cn1cc(NC=O)cc1C(=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 ZINC000025998713 561765215 /nfs/dbraw/zinc/76/52/15/561765215.db2.gz MOVYQMBBJIUACM-UHFFFAOYSA-N 1 0 725.771 2.012 1 0 KEAFRO COC(=O)[C@@H](O)[C@@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006493 561765606 /nfs/dbraw/zinc/76/56/06/561765606.db2.gz YVQZPPMOICERRA-LNPIVIPFSA-N 1 0 545.629 2.437 1 0 KEAFRO COC(=O)[C@H](O)[C@@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006499 561765634 /nfs/dbraw/zinc/76/56/34/561765634.db2.gz YVQZPPMOICERRA-YYRCUXOLSA-N 1 0 545.629 2.437 1 0 KEAFRO COC(=O)[C@@H](O)[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006505 561765597 /nfs/dbraw/zinc/76/55/97/561765597.db2.gz YVQZPPMOICERRA-JYXIKEANSA-N 1 0 545.629 2.437 1 0 KEAFRO COC(=O)[C@H](O)[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006510 561765595 /nfs/dbraw/zinc/76/55/95/561765595.db2.gz YVQZPPMOICERRA-GVCCXQABSA-N 1 0 545.629 2.437 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000026162945 561768695 /nfs/dbraw/zinc/76/86/95/561768695.db2.gz UODFODSYXFKFIW-FQLPYIGMSA-N 1 0 536.636 2.459 1 0 KEAFRO COC(=O)[C@@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026171016 561769893 /nfs/dbraw/zinc/76/98/93/561769893.db2.gz RRGLKZFQILPGBH-NRFANRHFSA-N 1 0 544.033 2.202 1 0 KEAFRO COC(=O)[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026171021 561769918 /nfs/dbraw/zinc/76/99/18/561769918.db2.gz RRGLKZFQILPGBH-OAQYLSRUSA-N 1 0 544.033 2.202 1 0 KEAFRO C[C@]1(C(=O)NCCCC[NH2+]CCCNC(=O)[C@@]2(C)CSC(c3ncccc3O)=N2)CSC(c2ncccc2O)=N1 ZINC000026180317 561771603 /nfs/dbraw/zinc/77/16/03/561771603.db2.gz YTJOWQFTEOPYKP-KAYWLYCHSA-N 1 0 585.756 2.085 1 0 KEAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)N2CCOCC2)cc1 ZINC000026181163 561771713 /nfs/dbraw/zinc/77/17/13/561771713.db2.gz DEIZNVJVQBVXIX-DEOSSOPVSA-N 1 0 613.140 2.278 1 0 KEAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)N2CCOCC2)cc1 ZINC000026181169 561771738 /nfs/dbraw/zinc/77/17/38/561771738.db2.gz DEIZNVJVQBVXIX-XMMPIXPASA-N 1 0 613.140 2.278 1 0 KEAFRO CCC[C@@H](C(=O)N[C@@H](CC(C)C)C(N)=O)N1CC[C@@H]([NH2+]C[C@H](CC2CCCCC2)NC(=O)OCC)C1=O ZINC000026182556 561771987 /nfs/dbraw/zinc/77/19/87/561771987.db2.gz LGPYNDHNOAEYIW-BJESRGMDSA-N 1 0 523.719 2.447 1 0 KEAFRO CCC[C@H]([NH2+]C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC)C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000026187398 561772856 /nfs/dbraw/zinc/77/28/56/561772856.db2.gz GWTNMETZOMWHKD-NEWJYFPISA-N 1 0 533.714 2.259 1 0 KEAFRO CNC(=O)C[C@@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026188738 561773048 /nfs/dbraw/zinc/77/30/48/561773048.db2.gz YGAJLSNNYBYKKC-OAQYLSRUSA-N 1 0 557.076 2.165 1 0 KEAFRO CNC(=O)C[C@H]1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026188745 561773046 /nfs/dbraw/zinc/77/30/46/561773046.db2.gz YGAJLSNNYBYKKC-NRFANRHFSA-N 1 0 557.076 2.165 1 0 KEAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+]4CCCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000026261366 561775651 /nfs/dbraw/zinc/77/56/51/561775651.db2.gz OZMIXSRXDUHGIV-UHFFFAOYSA-N 1 0 536.637 2.381 1 0 KEAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(CC2CC2)c1 ZINC000026261997 561775642 /nfs/dbraw/zinc/77/56/42/561775642.db2.gz DJVJLPHAVSHKRA-UHFFFAOYSA-N 1 0 536.637 2.330 1 0 KEAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCC[NH3+] ZINC000026264318 561776104 /nfs/dbraw/zinc/77/61/04/561776104.db2.gz ZZIFSFUTXMJRDR-GSDHBNRESA-N 1 0 538.689 2.274 1 0 KEAFRO Cc1sc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+](C)C)n(C)c1 ZINC000026265351 561776160 /nfs/dbraw/zinc/77/61/60/561776160.db2.gz LLEVAJWDFMUHBL-UHFFFAOYSA-N 1 0 513.624 2.488 1 0 KEAFRO Cc1sc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(C)c1 ZINC000026267761 561776472 /nfs/dbraw/zinc/77/64/72/561776472.db2.gz KEWPNQJVHFICPL-UHFFFAOYSA-N 1 0 513.624 2.488 1 0 KEAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)N([C@H](Cc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026269451 561777027 /nfs/dbraw/zinc/77/70/27/561777027.db2.gz LVPYZGHMMIKQDG-BJKOFHAPSA-N 1 0 516.646 2.288 1 0 KEAFRO CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])[C@@H](C)OCc1ccccc1 ZINC000026271271 561777368 /nfs/dbraw/zinc/77/73/68/561777368.db2.gz ZDNREZGMVZVUEL-XBTMSFKCSA-N 1 0 605.802 2.009 1 0 KEAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2ccc(F)cc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026271840 561777302 /nfs/dbraw/zinc/77/73/02/561777302.db2.gz VJEKPYWZTUKADG-DNQXCXABSA-N 1 0 534.636 2.427 1 0 KEAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@@H](Cc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026272756 561777456 /nfs/dbraw/zinc/77/74/56/561777456.db2.gz LVPYZGHMMIKQDG-RPWUZVMVSA-N 1 0 516.646 2.288 1 0 KEAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2ccccc2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026279490 561778713 /nfs/dbraw/zinc/77/87/13/561778713.db2.gz LVPYZGHMMIKQDG-DNQXCXABSA-N 1 0 516.646 2.288 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026286864 561779942 /nfs/dbraw/zinc/77/99/42/561779942.db2.gz CEMSZICGXBUJDS-XHPANXIASA-N 1 0 673.811 2.442 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]1Cc2ccc(cc2)OCCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026286870 561779887 /nfs/dbraw/zinc/77/98/87/561779887.db2.gz CEMSZICGXBUJDS-ORYMTKCHSA-N 1 0 673.811 2.442 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026296273 561781579 /nfs/dbraw/zinc/78/15/79/561781579.db2.gz GGHCDVBZSIKOJD-GCXHJFECSA-N 1 0 659.784 2.052 1 0 KEAFRO CC(C)(C)NC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000026385919 561784421 /nfs/dbraw/zinc/78/44/21/561784421.db2.gz PWAMRQBZIMSSPD-QUAHOIDUSA-N 1 0 616.763 2.066 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000026397479 561787421 /nfs/dbraw/zinc/78/74/21/561787421.db2.gz HYAFCDGYRQSGGV-MRLUPLGUSA-N 1 0 655.847 2.336 1 0 KEAFRO CS(=O)(=O)c1ccc2c(c1)S(=O)(=O)N(CCCC[NH+]1CCC(n3c4ccccc4oc3=O)CC1)C2=O ZINC000026487334 561792648 /nfs/dbraw/zinc/79/26/48/561792648.db2.gz PKNHRPIRHMNNHQ-UHFFFAOYSA-N 1 0 533.628 2.260 1 0 KEAFRO CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1 ZINC000026491793 561793373 /nfs/dbraw/zinc/79/33/73/561793373.db2.gz GBELIZVMQOJBSQ-AURPNGQFSA-N 1 0 725.932 2.303 1 0 KEAFRO CCCc1ccc(CC[C@H]([NH2+][C@H](C)C(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc2ccccc2)cc1 ZINC000026494216 561793951 /nfs/dbraw/zinc/79/39/51/561793951.db2.gz DUPLBHCXXUUWQN-YGOYIFOWSA-N 1 0 524.666 2.390 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(O)cc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026500127 561795254 /nfs/dbraw/zinc/79/52/54/561795254.db2.gz DQYCGWRYCVOWPT-RZDMPUFOSA-N 1 0 659.813 2.427 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(O)cc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026500131 561795234 /nfs/dbraw/zinc/79/52/34/561795234.db2.gz DQYCGWRYCVOWPT-FPNNDXFKSA-N 1 0 659.813 2.427 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCCC2)C1 ZINC000026500740 561795328 /nfs/dbraw/zinc/79/53/28/561795328.db2.gz ZRCOHDOAWXKMSA-RWSKJCERSA-N 1 0 643.833 2.394 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCCC2)C1 ZINC000026500744 561795310 /nfs/dbraw/zinc/79/53/10/561795310.db2.gz ZRCOHDOAWXKMSA-MJSOWUPRSA-N 1 0 643.833 2.394 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(Cc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026500768 561795378 /nfs/dbraw/zinc/79/53/78/561795378.db2.gz CUHNSOWMTFMZFS-KKUQBAQOSA-N 1 0 615.760 2.288 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(Cc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026500772 561795490 /nfs/dbraw/zinc/79/54/90/561795490.db2.gz CUHNSOWMTFMZFS-UODIDJSMSA-N 1 0 615.760 2.288 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026502945 561795866 /nfs/dbraw/zinc/79/58/66/561795866.db2.gz QFPAHFXWNHVKRV-GMQQYTKMSA-N 1 0 629.787 2.331 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026502950 561795849 /nfs/dbraw/zinc/79/58/49/561795849.db2.gz QFPAHFXWNHVKRV-KWXIBIRDSA-N 1 0 629.787 2.331 1 0 KEAFRO COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCc1[nH]c(N)[nH+]c1-c1cc(O)c3[nH]cc(O)c(=O)c3c1O)=NO2 ZINC000026504008 561796145 /nfs/dbraw/zinc/79/61/45/561796145.db2.gz ZFABPBNMLSLYSF-QPPBQGQZSA-N 1 0 682.282 2.110 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000026505258 561796443 /nfs/dbraw/zinc/79/64/43/561796443.db2.gz VTWLJGCFBJENLV-OIFRRMEBSA-N 1 0 629.806 2.004 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)N2CCCC2)C1 ZINC000026505264 561796413 /nfs/dbraw/zinc/79/64/13/561796413.db2.gz VTWLJGCFBJENLV-DYIKCSJPSA-N 1 0 629.806 2.004 1 0 KEAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026506243 561796671 /nfs/dbraw/zinc/79/66/71/561796671.db2.gz GKVGXAXNIRVVNY-KCHLEUMXSA-N 1 0 573.694 2.351 1 0 KEAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC000026566336 561797086 /nfs/dbraw/zinc/79/70/86/561797086.db2.gz IIGZREQJAGKWHZ-UHFFFAOYSA-N 1 0 568.700 2.446 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2cccnc2)C(=O)c2nccs2)C1 ZINC000026566505 561797106 /nfs/dbraw/zinc/79/71/06/561797106.db2.gz ZPGGLTQSTGTHQO-QKDODKLFSA-N 1 0 644.802 2.116 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2cccnc2)C(=O)c2nccs2)C1 ZINC000026566510 561797100 /nfs/dbraw/zinc/79/71/00/561797100.db2.gz ZPGGLTQSTGTHQO-PVHODMMVSA-N 1 0 644.802 2.116 1 0 KEAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1 ZINC000026566619 561797077 /nfs/dbraw/zinc/79/70/77/561797077.db2.gz CKOOSQJKCNFBBZ-UONLKORASA-N 1 0 566.743 2.361 1 0 KEAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1 ZINC000026566623 561797075 /nfs/dbraw/zinc/79/70/75/561797075.db2.gz CKOOSQJKCNFBBZ-KGVZJERPSA-N 1 0 566.743 2.361 1 0 KEAFRO CC(C)NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1 ZINC000026566627 561797072 /nfs/dbraw/zinc/79/70/72/561797072.db2.gz YEZPJHCKDOAJNP-LEZVCQOQSA-N 1 0 552.716 2.114 1 0 KEAFRO CC(C)NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)[C@H]1Cc2ccc(cc2)OCCCC(=O)N[C@@H](C(C)C)C(=O)N1 ZINC000026566631 561797110 /nfs/dbraw/zinc/79/71/10/561797110.db2.gz YEZPJHCKDOAJNP-COROXYKFSA-N 1 0 552.716 2.114 1 0 KEAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000026567268 561797206 /nfs/dbraw/zinc/79/72/06/561797206.db2.gz YCPSBAASPDUXLM-UHFFFAOYSA-N 1 0 553.685 2.478 1 0 KEAFRO C[NH+](C)CCc1c2cc(CCN3C(=O)NC(C)(C)C3=O)ccc2[nH]c1C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000026568899 561797658 /nfs/dbraw/zinc/79/76/58/561797658.db2.gz IMUHTDXXFHIDPA-UHFFFAOYSA-N 1 0 568.700 2.446 1 0 KEAFRO CC(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 ZINC000026568908 561797598 /nfs/dbraw/zinc/79/75/98/561797598.db2.gz YYVIHIOZJIZFQV-FXSPECFOSA-N 1 0 595.770 2.134 1 0 KEAFRO CC(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 ZINC000026568912 561797682 /nfs/dbraw/zinc/79/76/82/561797682.db2.gz YYVIHIOZJIZFQV-UMFSSWHCSA-N 1 0 595.770 2.134 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026570266 561798046 /nfs/dbraw/zinc/79/80/46/561798046.db2.gz XMPCFRSZTBYZTD-OVOJMXFRSA-N 1 0 624.742 2.065 1 0 KEAFRO NC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026574242 561798837 /nfs/dbraw/zinc/79/88/37/561798837.db2.gz XMYOZLZPKMGKTP-ZBBOUCKSSA-N 1 0 624.742 2.065 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026575200 561799141 /nfs/dbraw/zinc/79/91/41/561799141.db2.gz KPNZIKSDYZBVMF-ZBBOUCKSSA-N 1 0 624.742 2.065 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026575732 561799373 /nfs/dbraw/zinc/79/93/73/561799373.db2.gz RKLMJYJBGYXOFV-PEAQOHSKSA-N 1 0 624.742 2.065 1 0 KEAFRO NC(=O)C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026575782 561799546 /nfs/dbraw/zinc/79/95/46/561799546.db2.gz CBXFHPCTSWVLQQ-UHCFPPKYSA-N 1 0 728.850 2.272 1 0 KEAFRO NC(=O)C[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000026575783 561799537 /nfs/dbraw/zinc/79/95/37/561799537.db2.gz CBXFHPCTSWVLQQ-UJVAURMTSA-N 1 0 728.850 2.272 1 0 KEAFRO NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000026575784 561799522 /nfs/dbraw/zinc/79/95/22/561799522.db2.gz CBXFHPCTSWVLQQ-BWNROZNWSA-N 1 0 728.850 2.272 1 0 KEAFRO CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCC[NH3+])N(C(=O)[C@@H](N)Cc2ccccc2)C1=O ZINC000026575785 561799590 /nfs/dbraw/zinc/79/95/90/561799590.db2.gz ACGOXSMUUAJMDA-GDWZEYGFSA-N 1 0 574.726 2.163 1 0 KEAFRO O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000026577879 561802519 /nfs/dbraw/zinc/80/25/19/561802519.db2.gz RHPDVSROMSAMDQ-QRJOEMBSSA-N 1 0 534.521 2.476 1 0 KEAFRO O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1 ZINC000026577880 561802455 /nfs/dbraw/zinc/80/24/55/561802455.db2.gz RHPDVSROMSAMDQ-FKRCVWNDSA-N 1 0 534.521 2.476 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccc(O)cc1 ZINC000026654505 561808986 /nfs/dbraw/zinc/80/89/86/561808986.db2.gz GIWQDLVBONLWRW-SYKYGTKKSA-N 1 0 610.715 2.195 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccc(O)cc1 ZINC000026654510 561808964 /nfs/dbraw/zinc/80/89/64/561808964.db2.gz GIWQDLVBONLWRW-ZRJFKUPHSA-N 1 0 610.715 2.195 1 0 KEAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026654700 561808978 /nfs/dbraw/zinc/80/89/78/561808978.db2.gz AFBKMCYUMVDUEH-AREMUKBSSA-N 1 0 553.572 2.489 1 0 KEAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2F)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026654705 561809138 /nfs/dbraw/zinc/80/91/38/561809138.db2.gz AFBKMCYUMVDUEH-SANMLTNESA-N 1 0 553.572 2.489 1 0 KEAFRO NC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000026655931 561809360 /nfs/dbraw/zinc/80/93/60/561809360.db2.gz ITYBJVDZGONFLU-SYKYGTKKSA-N 1 0 610.715 2.195 1 0 KEAFRO NC(=O)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1ccccc1 ZINC000026655937 561809241 /nfs/dbraw/zinc/80/92/41/561809241.db2.gz ITYBJVDZGONFLU-FAPGNOQXSA-N 1 0 610.715 2.195 1 0 KEAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659681 561810086 /nfs/dbraw/zinc/81/00/86/561810086.db2.gz DVZTUQJDBGWRKP-AREMUKBSSA-N 1 0 535.582 2.350 1 0 KEAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3cccc(S(N)(=O)=O)c3)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659687 561810173 /nfs/dbraw/zinc/81/01/73/561810173.db2.gz DVZTUQJDBGWRKP-SANMLTNESA-N 1 0 535.582 2.350 1 0 KEAFRO CCSC[C@@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026660117 561810184 /nfs/dbraw/zinc/81/01/84/561810184.db2.gz QHYSKFYMFDJSJU-XMMPIXPASA-N 1 0 539.643 2.330 1 0 KEAFRO CCSC[C@]1(C(=O)Nc2ncc(-c3ccccc3S(N)(=O)=O)cn2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026660122 561810159 /nfs/dbraw/zinc/81/01/59/561810159.db2.gz QHYSKFYMFDJSJU-DEOSSOPVSA-N 1 0 539.643 2.330 1 0 KEAFRO CCS(=O)(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026661949 561810456 /nfs/dbraw/zinc/81/04/56/561810456.db2.gz JAAHCKRSVQLMQH-AREMUKBSSA-N 1 0 569.665 2.222 1 0 KEAFRO CCS(=O)(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026661955 561810465 /nfs/dbraw/zinc/81/04/65/561810465.db2.gz JAAHCKRSVQLMQH-SANMLTNESA-N 1 0 569.665 2.222 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)c1c[nH]c2ccccc21 ZINC000026662196 561810467 /nfs/dbraw/zinc/81/04/67/561810467.db2.gz YZPNSMZMPLDMPS-FAPGNOQXSA-N 1 0 610.715 2.195 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000026663143 561810575 /nfs/dbraw/zinc/81/05/75/561810575.db2.gz WWANYGDDKRZWHZ-YIPNQBBMSA-N 1 0 595.741 2.014 1 0 KEAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026665367 561810973 /nfs/dbraw/zinc/81/09/73/561810973.db2.gz JIAYVDPPILTWKJ-SANMLTNESA-N 1 0 544.597 2.079 1 0 KEAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cn3cncn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1 ZINC000026665372 561811006 /nfs/dbraw/zinc/81/10/06/561811006.db2.gz JIAYVDPPILTWKJ-AREMUKBSSA-N 1 0 544.597 2.079 1 0 KEAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)C2)c1 ZINC000026669626 561812030 /nfs/dbraw/zinc/81/20/30/561812030.db2.gz UXJUUBCVRGQKNE-VWLOTQADSA-N 1 0 580.030 2.127 1 0 KEAFRO NC(=[NH2+])c1cccc(C2=NO[C@](Cn3cnnn3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Cl)C2)c1 ZINC000026669632 561812004 /nfs/dbraw/zinc/81/20/04/561812004.db2.gz UXJUUBCVRGQKNE-RUZDIDTESA-N 1 0 580.030 2.127 1 0 KEAFRO [NH3+]C1CCN(S(=O)(=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 ZINC000026673337 561812943 /nfs/dbraw/zinc/81/29/43/561812943.db2.gz FNWHVNIVEHHXBC-AFJKRBKMSA-N 1 0 737.968 2.254 1 0 KEAFRO CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc1ccccc1 ZINC000026674998 561813778 /nfs/dbraw/zinc/81/37/78/561813778.db2.gz XWNLLBWIUJTPNE-MWAXCLHBSA-N 1 0 609.724 2.008 1 0 KEAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(CN4CC[NH2+]CC4)cc(=O)oc3c2C)OC1(C)C ZINC000026725710 561815905 /nfs/dbraw/zinc/81/59/05/561815905.db2.gz XKVYOZUSKDTMLI-REEOSCTQSA-N 1 0 555.628 2.258 1 0 KEAFRO C[NH2+]CCOc1cc(=O)oc2c(C)c(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)ccc12 ZINC000026727450 561816129 /nfs/dbraw/zinc/81/61/29/561816129.db2.gz CSYCZOSMKBBVBS-KBQHCZQWSA-N 1 0 530.574 2.451 1 0 KEAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCN4CC[NH+](C)CC4)cc(=O)oc3c2C)OC1(C)C ZINC000026727814 561816329 /nfs/dbraw/zinc/81/63/29/561816329.db2.gz IVYAHDYOIZBNBW-XMABBMNZSA-N 1 0 599.681 2.479 1 0 KEAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[NH3+])cc(=O)oc3c2C)OC1(C)C ZINC000026734681 561817278 /nfs/dbraw/zinc/81/72/78/561817278.db2.gz CJVCMXUVPQEKNX-JVICHNFNSA-N 1 0 516.547 2.191 1 0 KEAFRO CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F ZINC000026832618 561823340 /nfs/dbraw/zinc/82/33/40/561823340.db2.gz FTLDPBFWZHZPSN-HJOGWXRNSA-N 1 0 647.699 2.335 1 0 KEAFRO CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F ZINC000026832621 561823339 /nfs/dbraw/zinc/82/33/39/561823339.db2.gz FTLDPBFWZHZPSN-SGNDLWITSA-N 1 0 647.699 2.335 1 0 KEAFRO CCCCS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026832888 561823453 /nfs/dbraw/zinc/82/34/53/561823453.db2.gz RBHKBLFNBDRIPC-AREMUKBSSA-N 1 0 585.752 2.288 1 0 KEAFRO CCCCS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026832891 561823402 /nfs/dbraw/zinc/82/34/02/561823402.db2.gz RBHKBLFNBDRIPC-SANMLTNESA-N 1 0 585.752 2.288 1 0 KEAFRO CCCC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026835083 561824052 /nfs/dbraw/zinc/82/40/52/561824052.db2.gz DQNANQHFICTMEW-RUZDIDTESA-N 1 0 535.670 2.484 1 0 KEAFRO CCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026835086 561824115 /nfs/dbraw/zinc/82/41/15/561824115.db2.gz DQNANQHFICTMEW-VWLOTQADSA-N 1 0 535.670 2.484 1 0 KEAFRO CCOC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026835493 561824269 /nfs/dbraw/zinc/82/42/69/561824269.db2.gz ZWYHPZWOHTYYQY-XMMPIXPASA-N 1 0 537.642 2.314 1 0 KEAFRO CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026835496 561824253 /nfs/dbraw/zinc/82/42/53/561824253.db2.gz ZWYHPZWOHTYYQY-DEOSSOPVSA-N 1 0 537.642 2.314 1 0 KEAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3cccc4ccccc43)CC(=O)N21)C(=O)c1nccs1 ZINC000026934906 561827426 /nfs/dbraw/zinc/82/74/26/561827426.db2.gz FROGFQGOLUGXSL-QTJGBDASSA-N 1 0 589.722 2.062 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3cccc4ccccc43)CC(=O)N21)C(=O)c1nccs1 ZINC000026934910 561827421 /nfs/dbraw/zinc/82/74/21/561827421.db2.gz FROGFQGOLUGXSL-XWGVYQGASA-N 1 0 589.722 2.062 1 0 KEAFRO CCN(CC)CC[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026942618 561828144 /nfs/dbraw/zinc/82/81/44/561828144.db2.gz GHZNJPIUUXQKSM-SSEXGKCCSA-N 1 0 548.640 2.325 1 0 KEAFRO CCN(CC)CC[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026942626 561828149 /nfs/dbraw/zinc/82/81/49/561828149.db2.gz GHZNJPIUUXQKSM-PMERELPUSA-N 1 0 548.640 2.325 1 0 KEAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc4ccccc4c3)CC(=O)N21)C(=O)c1nccs1 ZINC000026945887 561828474 /nfs/dbraw/zinc/82/84/74/561828474.db2.gz SKLKMLRTJWBZRP-VXNXHJTFSA-N 1 0 589.722 2.062 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc4ccccc4c3)CC(=O)N21)C(=O)c1nccs1 ZINC000026945895 561828427 /nfs/dbraw/zinc/82/84/27/561828427.db2.gz SKLKMLRTJWBZRP-HJOGWXRNSA-N 1 0 589.722 2.062 1 0 KEAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC(=O)N21)C(=O)c1nccs1 ZINC000026963759 561829781 /nfs/dbraw/zinc/82/97/81/561829781.db2.gz HOFJCHLFPAHOCZ-DBVUQKKJSA-N 1 0 608.552 2.215 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC(=O)N21)C(=O)c1nccs1 ZINC000026963771 561829773 /nfs/dbraw/zinc/82/97/73/561829773.db2.gz HOFJCHLFPAHOCZ-VDGAXYAQSA-N 1 0 608.552 2.215 1 0 KEAFRO NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CCCCC5)cc4)CC3)cc2c1 ZINC000026974420 561830657 /nfs/dbraw/zinc/83/06/57/561830657.db2.gz JJSWNIYEEDMYNQ-UHFFFAOYSA-N 1 0 547.612 2.472 1 0 KEAFRO CCOC(=O)COc1ccc(OCC(=O)N2CCN(C(=O)c3cc4cc(C(N)=[NH2+])ccc4o3)CC2)cc1 ZINC000026975408 561830861 /nfs/dbraw/zinc/83/08/61/561830861.db2.gz OGNWJRBFZUEUEW-UHFFFAOYSA-N 1 0 508.531 2.022 1 0 KEAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 ZINC000026975561 561830892 /nfs/dbraw/zinc/83/08/92/561830892.db2.gz QUAJHCSLZMRTTM-JIPXPUAJSA-N 1 0 610.584 2.320 1 0 KEAFRO NC(=[NH2+])c1cccc(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nccs2)c1 ZINC000027079504 561834762 /nfs/dbraw/zinc/83/47/62/561834762.db2.gz DRGOEFPGRMUIEL-HJOGWXRNSA-N 1 0 572.691 2.172 1 0 KEAFRO COc1ccc(C[C@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000027086629 561836451 /nfs/dbraw/zinc/83/64/51/561836451.db2.gz UGXKCYZOKRDKII-VFFRCKCKSA-N 1 0 642.842 2.134 1 0 KEAFRO COc1ccc(C[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)CCCc2ccc(O)cc2)C(=O)NCCC[NH3+])cc1OC ZINC000027090397 561837163 /nfs/dbraw/zinc/83/71/63/561837163.db2.gz NIWWENISMCMXSU-QABMSTFYSA-N 1 0 554.688 2.306 1 0 KEAFRO COc1ccc(C[C@](C)(NC(=O)[C@@H]2CCCN2C(=O)CCCc2ccc(O)cc2)C(=O)NCCC[NH3+])cc1OC ZINC000027090404 561837160 /nfs/dbraw/zinc/83/71/60/561837160.db2.gz NIWWENISMCMXSU-NGQVCNFZSA-N 1 0 554.688 2.306 1 0 KEAFRO CC[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000027093224 561837564 /nfs/dbraw/zinc/83/75/64/561837564.db2.gz OSKPZNREYUWPKK-ZEWLDFFUSA-N 1 0 550.744 2.292 1 0 KEAFRO C[C@@]([NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(C(N)=O)cc1 ZINC000027103090 561839253 /nfs/dbraw/zinc/83/92/53/561839253.db2.gz QPOZXEKCNSHDCC-DHLKQENFSA-N 1 0 512.588 2.040 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 ZINC000027108910 561840873 /nfs/dbraw/zinc/84/08/73/561840873.db2.gz IMJZNHLPSZYZKP-KCHLEUMXSA-N 1 0 528.653 2.339 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000027181180 561841740 /nfs/dbraw/zinc/84/17/40/561841740.db2.gz JXJHGHFKBKHKHY-QKDODKLFSA-N 1 0 514.626 2.297 1 0 KEAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)Cc1cc(OCC[NH3+])ccc1-3 ZINC000027189867 561843302 /nfs/dbraw/zinc/84/33/02/561843302.db2.gz JBLRYSOOUMSLIX-UHFFFAOYSA-N 1 0 517.630 2.297 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027194794 561844043 /nfs/dbraw/zinc/84/40/43/561844043.db2.gz XASVNPBDYWQQOB-AHTLAMKMSA-N 1 0 680.916 2.086 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027194803 561844034 /nfs/dbraw/zinc/84/40/34/561844034.db2.gz XASVNPBDYWQQOB-DIXBYRMBSA-N 1 0 680.916 2.086 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027197784 561844687 /nfs/dbraw/zinc/84/46/87/561844687.db2.gz XASVNPBDYWQQOB-GCODSMQVSA-N 1 0 680.916 2.086 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027197791 561844665 /nfs/dbraw/zinc/84/46/65/561844665.db2.gz XASVNPBDYWQQOB-RKHQAZKQSA-N 1 0 680.916 2.086 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199746 561844948 /nfs/dbraw/zinc/84/49/48/561844948.db2.gz JWSUBFSSCJHLQP-WWZYFHTLSA-N 1 0 738.996 2.490 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027199754 561844895 /nfs/dbraw/zinc/84/48/95/561844895.db2.gz JWSUBFSSCJHLQP-VAYWGXDFSA-N 1 0 738.996 2.490 1 0 KEAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[N@H+](C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027202036 561845303 /nfs/dbraw/zinc/84/53/03/561845303.db2.gz RAXCJRXVBGOJSL-SUFWOTQWSA-N 1 0 674.953 2.322 1 0 KEAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@@H](O)C[N@H+](C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027202043 561845326 /nfs/dbraw/zinc/84/53/26/561845326.db2.gz RAXCJRXVBGOJSL-AZUPLVCYSA-N 1 0 674.953 2.322 1 0 KEAFRO CCNC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@H+](C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027202049 561845292 /nfs/dbraw/zinc/84/52/92/561845292.db2.gz RAXCJRXVBGOJSL-LUJPHCLQSA-N 1 0 674.953 2.322 1 0 KEAFRO CCNC(=O)[C@H](NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)C[N@H+](C)[C@@H](CC2CCCCC2)C(=O)NC(C)(C)C)C(C)(C)S1 ZINC000027202055 561845363 /nfs/dbraw/zinc/84/53/63/561845363.db2.gz RAXCJRXVBGOJSL-APIDWYLMSA-N 1 0 674.953 2.322 1 0 KEAFRO [NH3+]CCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCC1CCCCC1 ZINC000027211857 561847302 /nfs/dbraw/zinc/84/73/02/561847302.db2.gz FNQWIMXSMJZSMW-DQEYMECFSA-N 1 0 534.746 2.470 1 0 KEAFRO CCCOC[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 ZINC000027212511 561847462 /nfs/dbraw/zinc/84/74/62/561847462.db2.gz ZOGAJEOVCPKBPD-XHPANXIASA-N 1 0 661.866 2.195 1 0 KEAFRO Cc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CSCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000027214291 561847911 /nfs/dbraw/zinc/84/79/11/561847911.db2.gz AWQXQJJYEZZVIV-VMPREFPWSA-N 1 0 614.857 2.497 1 0 KEAFRO CCOC(=O)CN(Cc1ccccc1)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(N)=[NH2+])C1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027300763 561849012 /nfs/dbraw/zinc/84/90/12/561849012.db2.gz NWKFECHBBBUROX-CUBQBAPOSA-N 1 0 636.775 2.190 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)C1 ZINC000027305297 561849489 /nfs/dbraw/zinc/84/94/89/561849489.db2.gz YYWMFCVWCHCARK-OFVILXPXSA-N 1 0 556.733 2.391 1 0 KEAFRO NC(=[NH2+])N1CCC[C@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCCC2)C1 ZINC000027305301 561849516 /nfs/dbraw/zinc/84/95/16/561849516.db2.gz YYWMFCVWCHCARK-BWKNWUBXSA-N 1 0 556.733 2.391 1 0 KEAFRO CCOC(=O)CN(C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C(N)=[NH2+])C1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000027308560 561850165 /nfs/dbraw/zinc/85/01/65/561850165.db2.gz AOWKKKVLXZGVOM-CUNXSJBXSA-N 1 0 628.796 2.323 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[C@@H](S(C)(=O)=O)C[NH2+]1)C2 ZINC000027316063 561851629 /nfs/dbraw/zinc/85/16/29/561851629.db2.gz OXIUYFTYKSWDKX-XNIAFWOFSA-N 1 0 577.813 2.382 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]1C[C@@H](S(C)(=O)=O)C[NH2+]1)C2 ZINC000027316068 561851677 /nfs/dbraw/zinc/85/16/77/561851677.db2.gz OXIUYFTYKSWDKX-OFXBGWBLSA-N 1 0 577.813 2.382 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H]1C[C@H](S(C)(=O)=O)C[NH2+]1)C2 ZINC000027316074 561851640 /nfs/dbraw/zinc/85/16/40/561851640.db2.gz OXIUYFTYKSWDKX-YSCXQRNISA-N 1 0 577.813 2.382 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]1C[C@H](S(C)(=O)=O)C[NH2+]1)C2 ZINC000027316079 561851686 /nfs/dbraw/zinc/85/16/86/561851686.db2.gz OXIUYFTYKSWDKX-OLXWOTFLSA-N 1 0 577.813 2.382 1 0 KEAFRO CC(=O)Nc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NC[C@@H]2CCCN(C(N)=[NH2+])C2)cc1 ZINC000027316583 561851736 /nfs/dbraw/zinc/85/17/36/561851736.db2.gz CCNGSKMAMOAYLC-HFZDXXHNSA-N 1 0 550.685 2.409 1 0 KEAFRO CC(=O)Nc1ccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)NC[C@H]2CCCN(C(N)=[NH2+])C2)cc1 ZINC000027316588 561851712 /nfs/dbraw/zinc/85/17/12/561851712.db2.gz CCNGSKMAMOAYLC-QFQXNSOFSA-N 1 0 550.685 2.409 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027317662 561851896 /nfs/dbraw/zinc/85/18/96/561851896.db2.gz CLXZVCAWOBLKBK-KKUQBAQOSA-N 1 0 653.831 2.090 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H]([NH3+])C1=O)C2 ZINC000027319558 561852270 /nfs/dbraw/zinc/85/22/70/561852270.db2.gz SMTSPXQKAISTBU-KXPNLRIWSA-N 1 0 542.746 2.167 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C2 ZINC000027320780 561852572 /nfs/dbraw/zinc/85/25/72/561852572.db2.gz SOXQJPCRICFUHO-FFMLRLECSA-N 1 0 565.802 2.369 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H]([NH3+])CCC(N)=O)C2 ZINC000027323831 561853111 /nfs/dbraw/zinc/85/31/11/561853111.db2.gz HUBWQAUQKKUZCD-NONBHWBCSA-N 1 0 530.735 2.200 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@@H](C[NH3+])C1=O)C2 ZINC000027325765 561853598 /nfs/dbraw/zinc/85/35/98/561853598.db2.gz AOHLYYLXWGWSJO-DOTYIUQFSA-N 1 0 514.692 2.370 1 0 KEAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)N[C@H](C[NH3+])C1=O)C2 ZINC000027325769 561853562 /nfs/dbraw/zinc/85/35/62/561853562.db2.gz AOHLYYLXWGWSJO-YUGFUXRRSA-N 1 0 514.692 2.370 1 0 KEAFRO CC(C)C[C@H](NC(=O)[C@H](C[NH3+])C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027331261 561855006 /nfs/dbraw/zinc/85/50/06/561855006.db2.gz ISKSDTHIFVXGTD-OBBCHVIHSA-N 1 0 611.784 2.192 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000027408581 561855993 /nfs/dbraw/zinc/85/59/93/561855993.db2.gz PWAMRQBZIMSSPD-CRNKYVSFSA-N 1 0 616.763 2.066 1 0 KEAFRO CC(C)(C)NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000027408586 561856072 /nfs/dbraw/zinc/85/60/72/561856072.db2.gz PWAMRQBZIMSSPD-AUAHOFGGSA-N 1 0 616.763 2.066 1 0 KEAFRO CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)c1nccs1 ZINC000027439491 561860609 /nfs/dbraw/zinc/86/06/09/561860609.db2.gz KEXNRHUZOQEOLZ-HBMCJLEFSA-N 1 0 555.767 2.209 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@H]([NH3+])[C@@H]5O[C@@H](C)OC[C@@H]5O3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000027519468 561863033 /nfs/dbraw/zinc/86/30/33/561863033.db2.gz BTKQJXHSDWNDAS-NQNLGDRBSA-N 1 0 571.579 2.334 1 0 KEAFRO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C[NH+](C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000027524024 561865433 /nfs/dbraw/zinc/86/54/33/561865433.db2.gz YWBICMHJWOGVGL-MCLUNMOSSA-N 1 0 616.844 2.364 1 0 KEAFRO 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)CNC=O ZINC000027524270 561865529 /nfs/dbraw/zinc/86/55/29/561865529.db2.gz COLJWDDMOPGFPN-GWMMUDDPSA-N 1 0 586.730 2.296 1 0 KEAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027526281 561866242 /nfs/dbraw/zinc/86/62/42/561866242.db2.gz AVZNXYFYVNZTRE-XMMPIXPASA-N 1 0 569.613 2.201 1 0 KEAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027526283 561866257 /nfs/dbraw/zinc/86/62/57/561866257.db2.gz AVZNXYFYVNZTRE-DEOSSOPVSA-N 1 0 569.613 2.201 1 0 KEAFRO COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027527082 561866534 /nfs/dbraw/zinc/86/65/34/561866534.db2.gz FXFOLWSUKNFCFK-RUZDIDTESA-N 1 0 600.623 2.125 1 0 KEAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027527083 561866509 /nfs/dbraw/zinc/86/65/09/561866509.db2.gz FXFOLWSUKNFCFK-VWLOTQADSA-N 1 0 600.623 2.125 1 0 KEAFRO COCC1=C(C(=O)OC)[C@@H](c2cc(F)c(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027546515 561866941 /nfs/dbraw/zinc/86/69/41/561866941.db2.gz JHAYORQLJMSTOO-RUZDIDTESA-N 1 0 618.613 2.265 1 0 KEAFRO COCC1=C(C(=O)OC)[C@H](c2cc(F)c(F)cc2F)N(C(=O)NCCC[NH+]2CCN(c3ccccc3C(N)=O)CC2)C(=O)N1 ZINC000027546518 561866892 /nfs/dbraw/zinc/86/68/92/561866892.db2.gz JHAYORQLJMSTOO-VWLOTQADSA-N 1 0 618.613 2.265 1 0 KEAFRO NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027551216 561867996 /nfs/dbraw/zinc/86/79/96/561867996.db2.gz ATZXVDFURGHGDC-UIOOFZCWSA-N 1 0 564.712 2.100 1 0 KEAFRO CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(N)=O ZINC000027551379 561867994 /nfs/dbraw/zinc/86/79/94/561867994.db2.gz SKVDYHSPPSYNDG-RJLPREODSA-N 1 0 558.614 2.343 1 0 KEAFRO NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027551599 561868009 /nfs/dbraw/zinc/86/80/09/561868009.db2.gz ATZXVDFURGHGDC-FTJBHMTQSA-N 1 0 564.712 2.100 1 0 KEAFRO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CCN(S(=O)(=O)c2ccc(I)cc2)CC1 ZINC000027552606 561868360 /nfs/dbraw/zinc/86/83/60/561868360.db2.gz DIJZGPDWOUDFDS-UHFFFAOYSA-N 1 0 540.427 2.436 1 0 KEAFRO COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)C(C)C)[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000027554178 561868993 /nfs/dbraw/zinc/86/89/93/561868993.db2.gz JRBPBQXGCQTVHC-DQNAVNAOSA-N 1 0 572.710 2.418 1 0 KEAFRO COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O ZINC000027558550 561869993 /nfs/dbraw/zinc/86/99/93/561869993.db2.gz UFJAVEACVKEZGJ-FQEVSTJZSA-N 1 0 631.694 2.408 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000027559855 561870492 /nfs/dbraw/zinc/87/04/92/561870492.db2.gz HLGLOFWWPYOSAE-SSNHPIBPSA-N 1 0 633.749 2.156 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000027562042 561870958 /nfs/dbraw/zinc/87/09/58/561870958.db2.gz HLGLOFWWPYOSAE-GJBCSVNNSA-N 1 0 633.749 2.156 1 0 KEAFRO CNS(=O)(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563716 561871505 /nfs/dbraw/zinc/87/15/05/561871505.db2.gz JUDCITKDCFGXAF-VWLOTQADSA-N 1 0 558.576 2.420 1 0 KEAFRO CNS(=O)(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027563718 561871530 /nfs/dbraw/zinc/87/15/30/561871530.db2.gz JUDCITKDCFGXAF-RUZDIDTESA-N 1 0 558.576 2.420 1 0 KEAFRO NNC(=[NH2+])c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CCO)C2CCCC2)cc1 ZINC000027655718 561877431 /nfs/dbraw/zinc/87/74/31/561877431.db2.gz MTMMPPOKSPMIEC-VWLOTQADSA-N 1 0 523.659 2.282 1 0 KEAFRO CC(C)c1cc(S(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(C(N)=[NH2+])cc2)cc(C(C)C)c1C(C)C ZINC000027709303 561879405 /nfs/dbraw/zinc/87/94/05/561879405.db2.gz JNTJHHROQJYCNZ-XMMPIXPASA-N 1 0 559.733 2.413 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000027761541 561884132 /nfs/dbraw/zinc/88/41/32/561884132.db2.gz SYOVEDOWOXNOJG-RRPNLBNLSA-N 1 0 514.626 2.265 1 0 KEAFRO C[C@@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027848051 561885707 /nfs/dbraw/zinc/88/57/07/561885707.db2.gz SVSIHTUAQHQOLO-KJSFHGEKSA-N 1 0 624.742 2.236 1 0 KEAFRO NC(=[NH2+])c1ccc(CC(=O)CN2c3ccccc3CC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1 ZINC000027854069 561886322 /nfs/dbraw/zinc/88/63/22/561886322.db2.gz CDRQZRZODAGYKU-DEOSSOPVSA-N 1 0 532.622 2.344 1 0 KEAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027854772 561886504 /nfs/dbraw/zinc/88/65/04/561886504.db2.gz SVSIHTUAQHQOLO-SOOAOKCHSA-N 1 0 624.742 2.236 1 0 KEAFRO O=C1NC(=O)[C@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)Oc4cccc5[nH]c(=O)ccc54)CC3)cc2)S1 ZINC000027855148 561886479 /nfs/dbraw/zinc/88/64/79/561886479.db2.gz CRWDOPXADBGFLN-LADGPHEKSA-N 1 0 508.600 2.378 1 0 KEAFRO O=C1NC(=O)[C@@H](Cc2ccc(N3CCC([NH2+]C[C@H](O)Oc4cccc5[nH]c(=O)ccc54)CC3)cc2)S1 ZINC000027855157 561886484 /nfs/dbraw/zinc/88/64/84/561886484.db2.gz CRWDOPXADBGFLN-ISKFKSNPSA-N 1 0 508.600 2.378 1 0 KEAFRO C[C@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027855401 561886517 /nfs/dbraw/zinc/88/65/17/561886517.db2.gz SVSIHTUAQHQOLO-CSKDIXIBSA-N 1 0 624.742 2.236 1 0 KEAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000027859318 561886867 /nfs/dbraw/zinc/88/68/67/561886867.db2.gz SVSIHTUAQHQOLO-BFPCAKOSSA-N 1 0 624.742 2.236 1 0 KEAFRO CNC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 ZINC000027860414 561886959 /nfs/dbraw/zinc/88/69/59/561886959.db2.gz WCGBCJLMDLDHIT-RUZDIDTESA-N 1 0 535.670 2.403 1 0 KEAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000027868315 561887996 /nfs/dbraw/zinc/88/79/96/561887996.db2.gz ZLUXSSDCKXECJN-JFZLVBCZSA-N 1 0 603.764 2.243 1 0 KEAFRO NNC(=[NH2+])c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 ZINC000027868668 561887957 /nfs/dbraw/zinc/88/79/57/561887957.db2.gz WAGSVBQORBUSNE-RUZDIDTESA-N 1 0 550.685 2.037 1 0 KEAFRO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)NC(=O)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027875932 561888667 /nfs/dbraw/zinc/88/86/67/561888667.db2.gz SFTOTZHGBJLXSF-DJBPSZMOSA-N 1 0 589.737 2.043 1 0 KEAFRO CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H]([NH2+]CC(=O)C(C)(C)C)C(C)C ZINC000027886558 561889593 /nfs/dbraw/zinc/88/95/93/561889593.db2.gz MRCPLWBGKWGAHL-CIEVZJJWSA-N 1 0 512.736 2.165 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21)C(=O)c1nc2ccccc2s1 ZINC000027896625 561890278 /nfs/dbraw/zinc/89/02/78/561890278.db2.gz ORLJEHHINDEMRP-PMVMPFDFSA-N 1 0 589.722 2.062 1 0 KEAFRO Cn1c2ccccc2nc1C(=O)[C@H](C[C@@H]1CCCN(C(N)=[NH2+])C1)NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21 ZINC000027903637 561891215 /nfs/dbraw/zinc/89/12/15/561891215.db2.gz AGXPUGADDPTAMM-HZTDRZKOSA-N 1 0 626.762 2.071 1 0 KEAFRO Cn1c2ccccc2nc1C(=O)[C@H](C[C@H]1CCCN(C(N)=[NH2+])C1)NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21 ZINC000027903645 561891197 /nfs/dbraw/zinc/89/11/97/561891197.db2.gz AGXPUGADDPTAMM-JGQLVRIKSA-N 1 0 626.762 2.071 1 0 KEAFRO Cn1c2ccccc2nc1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CC[C@H]2CN(C(=O)CCc3ccccc3)CC(=O)N21 ZINC000027982611 561891883 /nfs/dbraw/zinc/89/18/83/561891883.db2.gz XRXUBCLWSQSKHT-GVUKDKGQSA-N 1 0 558.683 2.204 1 0 KEAFRO CSCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027991962 561893196 /nfs/dbraw/zinc/89/31/96/561893196.db2.gz IAMKELRZPIPJMU-PFVYEJPUSA-N 1 0 734.964 2.276 1 0 KEAFRO [NH3+][C@@H](CO)C(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028000280 561894512 /nfs/dbraw/zinc/89/45/12/561894512.db2.gz OQRZKYCUWYOQMI-RPLLCQBOSA-N 1 0 526.081 2.016 1 0 KEAFRO [NH3+][C@@H](CO)C(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028000285 561894506 /nfs/dbraw/zinc/89/45/06/561894506.db2.gz OQRZKYCUWYOQMI-IGKIAQTJSA-N 1 0 526.081 2.016 1 0 KEAFRO COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CCN(C)CC1)CC4)CCc1cc(OCC[NH3+])ccc1-3 ZINC000028013245 561896654 /nfs/dbraw/zinc/89/66/54/561896654.db2.gz MJRREZQBVZMNED-UHFFFAOYSA-N 1 0 531.657 2.492 1 0 KEAFRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(N)=O ZINC000028013339 561896683 /nfs/dbraw/zinc/89/66/83/561896683.db2.gz GXAWDYOWDXPTAS-RTWAWAEBSA-N 1 0 519.643 2.042 1 0 KEAFRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+][C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCC(N)=O ZINC000028013345 561896723 /nfs/dbraw/zinc/89/67/23/561896723.db2.gz GXAWDYOWDXPTAS-SFTDATJTSA-N 1 0 519.643 2.042 1 0 KEAFRO 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)c1ccc(C[NH3+])cc1 ZINC000028111254 561903181 /nfs/dbraw/zinc/90/31/81/561903181.db2.gz DQTQCTYWNGZNQX-UIPNDDLNSA-N 1 0 561.701 2.252 1 0 KEAFRO COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H]([NH3+])c3ccccc3F)c2=O)c1F ZINC000028113410 561903435 /nfs/dbraw/zinc/90/34/35/561903435.db2.gz TWIHJZDDTCLXRN-LJQANCHMSA-N 1 0 516.451 2.474 1 0 KEAFRO COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c(=O)n(C[C@H]([NH3+])c3ccccc3F)c2=O)c1F ZINC000028113416 561903365 /nfs/dbraw/zinc/90/33/65/561903365.db2.gz TWIHJZDDTCLXRN-IBGZPJMESA-N 1 0 516.451 2.474 1 0 KEAFRO CCc1cc(O)cc(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 ZINC000028113983 561903512 /nfs/dbraw/zinc/90/35/12/561903512.db2.gz BZLYBGIVFPHHKD-ORYMTKCHSA-N 1 0 613.759 2.064 1 0 KEAFRO CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000028118166 561904075 /nfs/dbraw/zinc/90/40/75/561904075.db2.gz YZRPOCXUTRHLGV-VABKMULXSA-N 1 0 643.811 2.482 1 0 KEAFRO Cc1[nH]c2ccccc2c1C[C@H](NC=O)NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)C(C)(C)[NH3+] ZINC000028220424 561907251 /nfs/dbraw/zinc/90/72/51/561907251.db2.gz ZDQRSDMFVJDWME-JWQCQUIFSA-N 1 0 502.619 2.462 1 0 KEAFRO Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)C(C)(C)[NH3+])C(=O)N[C@@H](Cc1c(C)[nH]c2ccccc21)NC=O ZINC000028221142 561907310 /nfs/dbraw/zinc/90/73/10/561907310.db2.gz ZDQRSDMFVJDWME-RPBOFIJWSA-N 1 0 502.619 2.462 1 0 KEAFRO CCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028222223 561907513 /nfs/dbraw/zinc/90/75/13/561907513.db2.gz XJLWNWRUORDXMW-RPWUZVMVSA-N 1 0 517.634 2.418 1 0 KEAFRO Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](Cc1c(C)[nH]c2ccccc21)NC(=O)C(C)(C)[NH3+])C(N)=O ZINC000028223137 561907553 /nfs/dbraw/zinc/90/75/53/561907553.db2.gz RVAXPKJGCHKWJV-DNQXCXABSA-N 1 0 502.619 2.243 1 0 KEAFRO C[NH+](C)C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O ZINC000028224390 561907628 /nfs/dbraw/zinc/90/76/28/561907628.db2.gz YSEMOHNHQFEREZ-JWQCQUIFSA-N 1 0 502.619 2.448 1 0 KEAFRO CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1CC[NH2+]CC1)C(=O)c1nccs1 ZINC000028234337 561909577 /nfs/dbraw/zinc/90/95/77/561909577.db2.gz QKNLMIPXSWFEPI-ZRBLBEILSA-N 1 0 581.805 2.470 1 0 KEAFRO CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC1CC[NH2+]CC1)C(=O)c1nccs1 ZINC000028234343 561909550 /nfs/dbraw/zinc/90/95/50/561909550.db2.gz QKNLMIPXSWFEPI-ZLNRFVROSA-N 1 0 581.805 2.470 1 0 KEAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCC(=O)NCC(=O)Nc1cccc2c1C[C@H]([NH+]1CCC(c3ccccc3)CC1)[C@H](O)C2 ZINC000028237341 561909948 /nfs/dbraw/zinc/90/99/48/561909948.db2.gz MKLZFMZXCXWTSP-WZEGCWGUSA-N 1 0 662.857 2.291 1 0 KEAFRO O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCC(=O)NCC(=O)Nc1cccc2c1C[C@H]([NH+]1CCC(c3ccccc3)CC1)[C@@H](O)C2 ZINC000028237349 561909987 /nfs/dbraw/zinc/90/99/87/561909987.db2.gz MKLZFMZXCXWTSP-ULYIESCMSA-N 1 0 662.857 2.291 1 0 KEAFRO C[NH+](C)CC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000028238391 561910087 /nfs/dbraw/zinc/91/00/87/561910087.db2.gz XJYIIKRQGIKYAZ-KRCBVYEFSA-N 1 0 669.868 2.457 1 0 KEAFRO 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)n1 ZINC000028247441 561910873 /nfs/dbraw/zinc/91/08/73/561910873.db2.gz KTUFQEUUHRRUEC-UHFFFAOYSA-N 1 0 709.566 2.095 1 0 KEAFRO COC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)N1 ZINC000028249460 561910866 /nfs/dbraw/zinc/91/08/66/561910866.db2.gz LVMUHYPBFVFOHU-ZRCGQRJVSA-N 1 0 510.591 2.281 1 0 KEAFRO C=C(Br)C(=O)Nc1cn(C)c(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n(C)c2)n1 ZINC000028250361 561910983 /nfs/dbraw/zinc/91/09/83/561910983.db2.gz YKJGIQMSONYETR-UHFFFAOYSA-N 1 0 709.566 2.095 1 0 KEAFRO COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(OC)c(O)c(OC)c2)N1 ZINC000028251912 561910972 /nfs/dbraw/zinc/91/09/72/561910972.db2.gz LVMUHYPBFVFOHU-SXWKCWPCSA-N 1 0 510.591 2.281 1 0 KEAFRO C=C(Br)C(=O)Nc1nc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(C)c3)n(C)c2)cs1 ZINC000028253406 561911121 /nfs/dbraw/zinc/91/11/21/561911121.db2.gz ZLBGZRUFUKAQNY-UHFFFAOYSA-N 1 0 590.464 2.228 1 0 KEAFRO C=C(F)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 ZINC000028262065 561912283 /nfs/dbraw/zinc/91/22/83/561912283.db2.gz LOMQMACEBUMMIF-UHFFFAOYSA-N 1 0 647.672 2.275 1 0 KEAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CS(=O)(=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028264794 561912486 /nfs/dbraw/zinc/91/24/86/561912486.db2.gz PQKHBIAKWKRURV-JOCHJYFZSA-N 1 0 559.652 2.466 1 0 KEAFRO [NH3+][C@@H](Cn1c(=O)n(Cc2c(F)cccc2F)c(=O)n(-c2ccc3nsnc3c2)c1=O)c1ccccc1 ZINC000028332774 561912920 /nfs/dbraw/zinc/91/29/20/561912920.db2.gz DFWBWPDCFNLQHE-IBGZPJMESA-N 1 0 508.510 2.192 1 0 KEAFRO CS(=O)(=O)N(CC[NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000028334362 561913113 /nfs/dbraw/zinc/91/31/13/561913113.db2.gz SLQLDOVHTAKIPG-WUFINQPMSA-N 1 0 639.222 2.155 1 0 KEAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCN(C3CCCC3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028335236 561913202 /nfs/dbraw/zinc/91/32/02/561913202.db2.gz RXJPERJYABKLTI-UHFFFAOYSA-N 1 0 534.723 2.180 1 0 KEAFRO COc1cccc(-n2c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028341883 561914282 /nfs/dbraw/zinc/91/42/82/561914282.db2.gz ZNPRQFIYELNZSZ-UHFFFAOYSA-N 1 0 523.540 2.066 1 0 KEAFRO CC[C@@H](C)N1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028344313 561914636 /nfs/dbraw/zinc/91/46/36/561914636.db2.gz ONKRAVFZJYGKKQ-OAQYLSRUSA-N 1 0 522.712 2.036 1 0 KEAFRO CC[C@H](C)N1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028344320 561914643 /nfs/dbraw/zinc/91/46/43/561914643.db2.gz ONKRAVFZJYGKKQ-NRFANRHFSA-N 1 0 522.712 2.036 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCCC1 ZINC000028351549 561915487 /nfs/dbraw/zinc/91/54/87/561915487.db2.gz RRHUCVBGHTWHLZ-AWCRTANDSA-N 1 0 599.732 2.021 1 0 KEAFRO C[C@H]([NH3+])C(=O)N1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028352952 561915745 /nfs/dbraw/zinc/91/57/45/561915745.db2.gz XZKBSIVDFMHENZ-FDJWOJMMSA-N 1 0 614.807 2.104 1 0 KEAFRO CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2cc(OCCC[n+]4cccc(CO)c4)ccc2nc1-3 ZINC000028366249 561917703 /nfs/dbraw/zinc/91/77/03/561917703.db2.gz VFJLVDIMGAGKIS-LJAQVGFWSA-N 1 0 514.558 2.329 1 0 KEAFRO CC[C@@H](C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028370587 561918320 /nfs/dbraw/zinc/91/83/20/561918320.db2.gz SQAZHROHRIIVEP-VEWBXUNISA-N 1 0 721.944 2.287 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028370594 561918300 /nfs/dbraw/zinc/91/83/00/561918300.db2.gz SQAZHROHRIIVEP-LRQABCRBSA-N 1 0 721.944 2.287 1 0 KEAFRO [NH3+]CCNCc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028380288 561919971 /nfs/dbraw/zinc/91/99/71/561919971.db2.gz XIQYNRJWSQZLRE-FQLXRVMXSA-N 1 0 575.157 2.479 1 0 KEAFRO CN(CC[NH+](C)C)C(=O)[C@@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028381687 561920208 /nfs/dbraw/zinc/92/02/08/561920208.db2.gz XXLPKXQZQCWSGJ-JOCHJYFZSA-N 1 0 631.553 2.306 1 0 KEAFRO CN(CC[NH+](C)C)C(=O)[C@H](CC(=O)Nc1ccc(Br)cn1)NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028381695 561920272 /nfs/dbraw/zinc/92/02/72/561920272.db2.gz XXLPKXQZQCWSGJ-QFIPXVFZSA-N 1 0 631.553 2.306 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028382966 561920560 /nfs/dbraw/zinc/92/05/60/561920560.db2.gz QMIIETJQUSZXNX-OEKXEMMHSA-N 1 0 619.804 2.173 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028382973 561920535 /nfs/dbraw/zinc/92/05/35/561920535.db2.gz QMIIETJQUSZXNX-WCKANXHBSA-N 1 0 619.804 2.173 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028382984 561920468 /nfs/dbraw/zinc/92/04/68/561920468.db2.gz QMIIETJQUSZXNX-CGDFKPNQSA-N 1 0 619.804 2.173 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028382989 561920490 /nfs/dbraw/zinc/92/04/90/561920490.db2.gz KTWYKTCSOLBNMZ-ANZRSOPBSA-N 1 0 654.871 2.342 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028382995 561920570 /nfs/dbraw/zinc/92/05/70/561920570.db2.gz KTWYKTCSOLBNMZ-OPAVMKTMSA-N 1 0 654.871 2.342 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000028383008 561920541 /nfs/dbraw/zinc/92/05/41/561920541.db2.gz KTWYKTCSOLBNMZ-VYTBTSRTSA-N 1 0 654.871 2.342 1 0 KEAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCCC[NH3+])cc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000028396257 561923136 /nfs/dbraw/zinc/92/31/36/561923136.db2.gz SKQAUBWFCCHFTD-UGSBDYSCSA-N 1 0 649.763 2.249 1 0 KEAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)C3=CNCC=C3)CCCCC2)CC1 ZINC000028457864 561924280 /nfs/dbraw/zinc/92/42/80/561924280.db2.gz ZDBJYKUEQIMUKL-RUZDIDTESA-N 1 0 591.584 2.376 1 0 KEAFRO Cn1cc(NC(=O)c2cc3ccccc3cn2)cc1C(=O)Nc1ccc(C(=O)Nc2cn(C)c(C(=O)NCCN3CC[NH+](CCO)CC3)n2)cc1 ZINC000028458741 561924520 /nfs/dbraw/zinc/92/45/20/561924520.db2.gz GXMMPXIQGPCRKS-UHFFFAOYSA-N 1 0 692.781 2.403 1 0 KEAFRO COc1cccc(-c2cn(Cc3c(F)cccc3S(=O)(=O)CCO)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028470797 561926981 /nfs/dbraw/zinc/92/69/81/561926981.db2.gz RMRJRRBRDOXSEK-QHCPKHFHSA-N 1 0 571.602 2.478 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028474950 561927718 /nfs/dbraw/zinc/92/77/18/561927718.db2.gz WXSVCTCWUBXPAW-DCHFCWSPSA-N 1 0 514.531 2.402 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028474979 561927754 /nfs/dbraw/zinc/92/77/54/561927754.db2.gz KALWPXQBRCUQLH-UZYORVLWSA-N 1 0 633.749 2.232 1 0 KEAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475311 561927849 /nfs/dbraw/zinc/92/78/49/561927849.db2.gz ZCSVVRGSLXJIEE-LMHKMPGVSA-N 1 0 638.769 2.359 1 0 KEAFRO NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028475314 561927878 /nfs/dbraw/zinc/92/78/78/561927878.db2.gz ZCSVVRGSLXJIEE-AKOOALSVSA-N 1 0 638.769 2.359 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028476022 561928129 /nfs/dbraw/zinc/92/81/29/561928129.db2.gz WOIJFHMCPKYSNJ-QDXXISHVSA-N 1 0 627.786 2.494 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC[NH2+]CCN(C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028476477 561928208 /nfs/dbraw/zinc/92/82/08/561928208.db2.gz UTLQFZQCFZNCJG-FLNQWHAFSA-N 1 0 500.548 2.239 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC[NH2+]CCN(C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028476479 561928222 /nfs/dbraw/zinc/92/82/22/561928222.db2.gz UTLQFZQCFZNCJG-YMACDFMISA-N 1 0 500.548 2.239 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028476891 561928418 /nfs/dbraw/zinc/92/84/18/561928418.db2.gz WOIJFHMCPKYSNJ-UGMRNKNYSA-N 1 0 627.786 2.494 1 0 KEAFRO CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1 ZINC000028477591 561928551 /nfs/dbraw/zinc/92/85/51/561928551.db2.gz CNLDTDHPXWAMSW-HSZRJFAPSA-N 1 0 557.607 2.373 1 0 KEAFRO CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1 ZINC000028477594 561928485 /nfs/dbraw/zinc/92/84/85/561928485.db2.gz CNLDTDHPXWAMSW-QHCPKHFHSA-N 1 0 557.607 2.373 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000028477835 561928666 /nfs/dbraw/zinc/92/86/66/561928666.db2.gz DPRAGYLHLFDPCX-LAMIVESZSA-N 1 0 613.759 2.371 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000028477839 561928698 /nfs/dbraw/zinc/92/86/98/561928698.db2.gz KSVLXWHLBMOFAO-MCEBTLFFSA-N 1 0 638.769 2.291 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028520394 561928815 /nfs/dbraw/zinc/92/88/15/561928815.db2.gz OYRRSSXMTFYBBG-PKTNWEFCSA-N 1 0 612.731 2.482 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)NCCC[NH3+])[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028520561 561928973 /nfs/dbraw/zinc/92/89/73/561928973.db2.gz UKVGQCLRUPKXFR-UPYFZQQASA-N 1 0 500.504 2.189 1 0 KEAFRO Cn1c2nc3nc(NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)c(Br)cn3c2c(=O)n(C)c1=O ZINC000028521309 561929302 /nfs/dbraw/zinc/92/93/02/561929302.db2.gz JUFILDWSJBSFAQ-UHFFFAOYSA-N 1 0 561.872 2.320 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028521731 561929436 /nfs/dbraw/zinc/92/94/36/561929436.db2.gz KALWPXQBRCUQLH-PMUGGPHNSA-N 1 0 633.749 2.232 1 0 KEAFRO COC(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2O)C[C@H]([NH3+])C(=O)N[C@@H]([C@@H](C)OCc2ccccc2)C(=O)N1 ZINC000028525667 561931449 /nfs/dbraw/zinc/93/14/49/561931449.db2.gz YSAKLNPWDZZOIF-YZHNWUKRSA-N 1 0 547.608 2.358 1 0 KEAFRO COC(=O)[C@@H]1Cc2ccc(cc2)Oc2cc(ccc2O)C[C@H]([NH3+])C(=O)N[C@H]([C@@H](C)OCc2ccccc2)C(=O)N1 ZINC000028525668 561931509 /nfs/dbraw/zinc/93/15/09/561931509.db2.gz YSAKLNPWDZZOIF-LFMILOHOSA-N 1 0 547.608 2.358 1 0 KEAFRO COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(C(=O)CN3CC[NH2+]CC3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O ZINC000028530340 561934764 /nfs/dbraw/zinc/93/47/64/561934764.db2.gz AMUIGYCIMWIYEY-GGXMVOPNSA-N 1 0 619.719 2.174 1 0 KEAFRO CCCS(=O)(=O)NCc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1)O2 ZINC000028530417 561934733 /nfs/dbraw/zinc/93/47/33/561934733.db2.gz LUHWSRYUHCKNDP-ARNLJNQMSA-N 1 0 501.649 2.086 1 0 KEAFRO CCCS(=O)(=O)NCc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1)O2 ZINC000028530602 561934852 /nfs/dbraw/zinc/93/48/52/561934852.db2.gz LUHWSRYUHCKNDP-JBRSBNLGSA-N 1 0 501.649 2.086 1 0 KEAFRO CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000028634909 561940824 /nfs/dbraw/zinc/94/08/24/561940824.db2.gz PMRPFJCCTUUSHG-DWVDZHLMSA-N 1 0 580.792 2.413 1 0 KEAFRO O=C1C[C@@H]([NH2+]C2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028638630 561942341 /nfs/dbraw/zinc/94/23/41/561942341.db2.gz PSMURYWPGARIKS-ODRDEDCPSA-N 1 0 664.807 2.307 1 0 KEAFRO O=C1C[C@H]([NH2+]C2CCOCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028638632 561942335 /nfs/dbraw/zinc/94/23/35/561942335.db2.gz PSMURYWPGARIKS-HOWKLTHKSA-N 1 0 664.807 2.307 1 0 KEAFRO O=C1C[C@@H]([NH2+]C2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 ZINC000028638634 561942326 /nfs/dbraw/zinc/94/23/26/561942326.db2.gz VOQTXNSVZQBLKS-ODRDEDCPSA-N 1 0 664.807 2.307 1 0 KEAFRO O=C1C[C@H]([NH2+]C2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 ZINC000028638776 561942331 /nfs/dbraw/zinc/94/23/31/561942331.db2.gz VOQTXNSVZQBLKS-HOWKLTHKSA-N 1 0 664.807 2.307 1 0 KEAFRO O=C1C[C@@H](N2CCC([NH+]3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028639233 561942528 /nfs/dbraw/zinc/94/25/28/561942528.db2.gz PSORHCPVAZEEKB-RJKGWOMYSA-N 1 0 733.914 2.335 1 0 KEAFRO O=C1C[C@@H]([NH2+]C2CCS(=O)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028639239 561942559 /nfs/dbraw/zinc/94/25/59/561942559.db2.gz JUDLFCKNYRAPFJ-HKFLFGGTSA-N 1 0 696.874 2.039 1 0 KEAFRO Cc1ccccc1C[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 ZINC000028654439 561946471 /nfs/dbraw/zinc/94/64/71/561946471.db2.gz ILQNJTWDEDHFTC-ORYMTKCHSA-N 1 0 613.759 2.119 1 0 in-vivo KEAFRO Cc1cc(C)cc(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)c1 ZINC000028654448 561946425 /nfs/dbraw/zinc/94/64/25/561946425.db2.gz GBRVPIBAPYVZMY-YDPTYEFTSA-N 1 0 627.786 2.427 1 0 in-vivo KEAFRO Cc1cccc(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 ZINC000028654456 561946476 /nfs/dbraw/zinc/94/64/76/561946476.db2.gz KIPQYPCUMMQKJB-YDPTYEFTSA-N 1 0 627.786 2.427 1 0 in-vivo KEAFRO Cc1cc(C)c(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)c1 ZINC000028654470 561946431 /nfs/dbraw/zinc/94/64/31/561946431.db2.gz KFLSQRYJYCLKBS-ORYMTKCHSA-N 1 0 613.759 2.119 1 0 in-vivo KEAFRO CCc1cccc(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 ZINC000028654493 561946462 /nfs/dbraw/zinc/94/64/62/561946462.db2.gz AAXFHBRSEVMRCW-ORYMTKCHSA-N 1 0 613.759 2.064 1 0 in-vivo KEAFRO CCCNC(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000028705223 561949026 /nfs/dbraw/zinc/94/90/26/561949026.db2.gz ZJBTYLBZKXCVMN-RRPNLBNLSA-N 1 0 532.641 2.426 1 0 KEAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](C(=O)NCCO)c3ccccc32)CC1 ZINC000028706003 561949310 /nfs/dbraw/zinc/94/93/10/561949310.db2.gz KVBFGTSKHTWNPP-AOYPEHQESA-N 1 0 534.701 2.388 1 0 KEAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](C(=O)NCCO)c3ccccc32)CC1 ZINC000028706039 561949352 /nfs/dbraw/zinc/94/93/52/561949352.db2.gz KVBFGTSKHTWNPP-AZGAKELHSA-N 1 0 534.701 2.388 1 0 KEAFRO C[C@H](NC(=O)[C@@H](CCc1ccccn1)NS(=O)(=O)Cc1ccccc1)C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706232 561949433 /nfs/dbraw/zinc/94/94/33/561949433.db2.gz KZNJHGCVFBGYGX-UQBPGWFLSA-N 1 0 558.104 2.436 1 0 KEAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NS(=O)(=O)Cc1ccccc1 ZINC000028706272 561949441 /nfs/dbraw/zinc/94/94/41/561949441.db2.gz VVRYCAATWSEKQQ-SXOMAYOGSA-N 1 0 600.141 2.160 1 0 KEAFRO CCOC(=O)CN[C@H](CCc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+] ZINC000028706301 561949616 /nfs/dbraw/zinc/94/96/16/561949616.db2.gz FVYGXQLKUXZGOL-RPWUZVMVSA-N 1 0 531.053 2.266 1 0 KEAFRO COC[C@H]([NH3+])[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028706469 561949696 /nfs/dbraw/zinc/94/96/96/561949696.db2.gz ZNARZYKTJODECI-XSLZUNGDSA-N 1 0 539.649 2.163 1 0 KEAFRO NC(=[NH2+])c1ccc(S(=O)(=O)NCCn2c(=O)c(NC3CCC3)nc(Cl)c2-c2cccc(N)c2)cc1 ZINC000028709885 561950807 /nfs/dbraw/zinc/95/08/07/561950807.db2.gz SDKQVJOMLLWQKD-UHFFFAOYSA-N 1 0 516.027 2.373 1 0 KEAFRO O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH2+]C(CO)CO)CCCC1)c1cc2ccccc2s1 ZINC000028711678 561952206 /nfs/dbraw/zinc/95/22/06/561952206.db2.gz JBSRCWOSXWDZMH-XMMPIXPASA-N 1 0 566.724 2.121 1 0 KEAFRO COc1ccc(C[C@H](NC(N)=[NH2+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 ZINC000028712990 561953404 /nfs/dbraw/zinc/95/34/04/561953404.db2.gz IEBSBPORJZXBGY-ORYMTKCHSA-N 1 0 701.228 2.155 1 0 in-vivo KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028816957 561964439 /nfs/dbraw/zinc/96/44/39/561964439.db2.gz GQKWRERWSHSLFH-MCEBTLFFSA-N 1 0 638.769 2.291 1 0 KEAFRO CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817334 561964711 /nfs/dbraw/zinc/96/47/11/561964711.db2.gz YTOZVAMWOLDKNH-OYUWMTPXSA-N 1 0 567.699 2.425 1 0 KEAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)COC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817336 561964718 /nfs/dbraw/zinc/96/47/18/561964718.db2.gz KEKYDOCMYNKFDI-OYUWMTPXSA-N 1 0 597.725 2.051 1 0 KEAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1ncc[nH]1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817385 561964789 /nfs/dbraw/zinc/96/47/89/561964789.db2.gz GVLLHWUPELWLKF-OYUWMTPXSA-N 1 0 619.735 2.442 1 0 KEAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1c[nH]ccc1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817392 561964797 /nfs/dbraw/zinc/96/47/97/561964797.db2.gz UNVBTVJSVLCZTN-PKZQBKLLSA-N 1 0 646.757 2.407 1 0 KEAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)OCCNC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817418 561964768 /nfs/dbraw/zinc/96/47/68/561964768.db2.gz ZWVSPRDKHNVQBX-ZGIBFIJWSA-N 1 0 654.777 2.151 1 0 KEAFRO C[NH2+]C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC1=O ZINC000028823453 561968201 /nfs/dbraw/zinc/96/82/01/561968201.db2.gz UQUFTFPWPQCIJD-RMTZWNOUSA-N 1 0 591.675 2.193 1 0 KEAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](C[NH+](C)C)NC1=O ZINC000028823454 561968265 /nfs/dbraw/zinc/96/82/65/561968265.db2.gz SISNPNGRBBSGJD-CMTIAEDTSA-N 1 0 572.150 2.169 1 0 KEAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](C[NH+](C)C)NC1=O ZINC000028823455 561968225 /nfs/dbraw/zinc/96/82/25/561968225.db2.gz UMMNOBJLIVPCET-CMTIAEDTSA-N 1 0 572.150 2.169 1 0 KEAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CCC(N)=[NH2+])NC1=O ZINC000028823466 561968194 /nfs/dbraw/zinc/96/81/94/561968194.db2.gz GJZLNEWHDCNOLF-CLCZQPDDSA-N 1 0 585.149 2.324 1 0 KEAFRO CS(=O)(=O)CCCn1c2ccc(C[NH3+])cc2nc1Cn1c2ccccc2c(=O)n(CC(F)(F)F)c1=O ZINC000028824494 561969757 /nfs/dbraw/zinc/96/97/57/561969757.db2.gz OOKGEKCORKHTPB-UHFFFAOYSA-N 1 0 523.537 2.017 1 0 KEAFRO CC(C)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC000028825184 561970475 /nfs/dbraw/zinc/97/04/75/561970475.db2.gz BDKNKWVGMGUBOG-QFIPXVFZSA-N 1 0 540.686 2.245 1 0 KEAFRO CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCCN4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000028864298 561973079 /nfs/dbraw/zinc/97/30/79/561973079.db2.gz KJDACKJEBDQPTM-UHFFFAOYSA-N 1 0 551.652 2.068 1 0 KEAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000028865010 561973351 /nfs/dbraw/zinc/97/33/51/561973351.db2.gz IGBSCAPBRUMDPX-LNMMVMNESA-N 1 0 670.811 2.045 1 0 KEAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccc2)C(C)C)cc1 ZINC000028895964 561979153 /nfs/dbraw/zinc/97/91/53/561979153.db2.gz HDHLAUIFXXYKQB-CHQNGUEUSA-N 1 0 670.815 2.191 1 0 KEAFRO CC(C)[C@H](NC(=O)c1ccc(NCCNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896021 561979147 /nfs/dbraw/zinc/97/91/47/561979147.db2.gz CZVWIRWEDROEHR-SVBPBHIXSA-N 1 0 557.699 2.380 1 0 KEAFRO CC(C)[C@H](NC(=O)c1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896053 561979164 /nfs/dbraw/zinc/97/91/64/561979164.db2.gz NDWGDWVPGSPNPK-UIOOFZCWSA-N 1 0 528.657 2.468 1 0 KEAFRO COc1ccc(C=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)C[N@H+](C)[C@@H]1C2 ZINC000028949890 561981018 /nfs/dbraw/zinc/98/10/18/561981018.db2.gz YHFQNMGLSXSGML-JBYIUTFZSA-N 1 0 506.632 2.291 1 0 KEAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CCC3)(C(=O)NC(C)(C)C)CC2)C1 ZINC000028949902 561981120 /nfs/dbraw/zinc/98/11/20/561981120.db2.gz UMDFMNRSOJOZSX-LOSJGSFVSA-N 1 0 543.728 2.470 1 0 KEAFRO CCNC(=O)[C@@](C)(C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000028952345 561981808 /nfs/dbraw/zinc/98/18/08/561981808.db2.gz RLTNOZZAGHNSAI-XMMPIXPASA-N 1 0 507.557 2.435 1 0 KEAFRO CCNC(=O)[C@](C)(C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000028952347 561981828 /nfs/dbraw/zinc/98/18/28/561981828.db2.gz RLTNOZZAGHNSAI-DEOSSOPVSA-N 1 0 507.557 2.435 1 0 KEAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 ZINC000028952359 561981826 /nfs/dbraw/zinc/98/18/26/561981826.db2.gz KNCWDGUPSSDGDF-NRFANRHFSA-N 1 0 522.568 2.214 1 0 KEAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 ZINC000028952383 561981942 /nfs/dbraw/zinc/98/19/42/561981942.db2.gz XTHLGHRZCDTJHJ-QFIPXVFZSA-N 1 0 520.552 2.185 1 0 KEAFRO CC(C)(C)NC(=O)[C@H](C[NH2+]Cc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000028952396 561981961 /nfs/dbraw/zinc/98/19/61/561981961.db2.gz OUQLHEYPUWVFQL-FQEVSTJZSA-N 1 0 556.607 2.028 1 0 KEAFRO O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000028956055 561983050 /nfs/dbraw/zinc/98/30/50/561983050.db2.gz RJOMTDLTLDWPIA-DQADQBJQSA-N 1 0 515.101 2.227 1 0 KEAFRO O=C(C(=O)N1CCC[C@H]1C[NH+]1CCCC1)N1CC[C@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000028956070 561983062 /nfs/dbraw/zinc/98/30/62/561983062.db2.gz RJOMTDLTLDWPIA-SUHLXZCWSA-N 1 0 515.101 2.227 1 0 KEAFRO CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000028966006 561985137 /nfs/dbraw/zinc/98/51/37/561985137.db2.gz SDESQYXOZXUBKR-OFEGBEERSA-N 1 0 648.849 2.083 1 0 KEAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1 ZINC000028968594 561985617 /nfs/dbraw/zinc/98/56/17/561985617.db2.gz SLUFXDXLBWGIIS-IZZNHLLZSA-N 1 0 517.692 2.469 1 0 KEAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1 ZINC000028968599 561985656 /nfs/dbraw/zinc/98/56/56/561985656.db2.gz QKDILUYNDDDGDO-LOSJGSFVSA-N 1 0 503.665 2.079 1 0 KEAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1 ZINC000028968606 561985622 /nfs/dbraw/zinc/98/56/22/561985622.db2.gz ADUWXOLELPWYPY-LOSJGSFVSA-N 1 0 505.681 2.229 1 0 KEAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000028978356 561987792 /nfs/dbraw/zinc/98/77/92/561987792.db2.gz YKYXAHIQYWIJPR-PNTFMKQHSA-N 1 0 515.676 2.219 1 0 KEAFRO CCNc1cc(C(=O)N[C@@H](Cn2cccn2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039622 561990063 /nfs/dbraw/zinc/99/00/63/561990063.db2.gz OFELJLDMFBJYRB-RRPNLBNLSA-N 1 0 570.716 2.203 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000029039829 561990220 /nfs/dbraw/zinc/99/02/20/561990220.db2.gz LCSGBFCHAFMKLD-QAXCHELISA-N 1 0 623.754 2.431 1 0 in-vivo KEAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnnn1CCOC(=O)NCCCCO ZINC000029041209 561991079 /nfs/dbraw/zinc/99/10/79/561991079.db2.gz UMEAXKQXNVLSNE-QGZVFWFLSA-N 1 0 599.533 2.321 1 0 KEAFRO COc1cc(CC(=O)N(C)[C@H](C[NH+]2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC ZINC000029043024 561991810 /nfs/dbraw/zinc/99/18/10/561991810.db2.gz IHVHGNZAYFNZSU-XMMPIXPASA-N 1 0 544.718 2.478 1 0 KEAFRO COc1cc(CC(=O)N(C)[C@H](C[N@@H+]2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000029043028 561991796 /nfs/dbraw/zinc/99/17/96/561991796.db2.gz ODUGRXFIDSZPEX-XZOQPEGZSA-N 1 0 531.675 2.297 1 0 KEAFRO O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048256 561993483 /nfs/dbraw/zinc/99/34/83/561993483.db2.gz IQONGTWJJKZIDX-MUUNZHRXSA-N 1 0 549.582 2.429 1 0 KEAFRO O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1 ZINC000029048259 561993459 /nfs/dbraw/zinc/99/34/59/561993459.db2.gz IQONGTWJJKZIDX-NDEPHWFRSA-N 1 0 549.582 2.429 1 0 KEAFRO CN(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(CCOc3ccccc3)C(=O)N2)c1 ZINC000029049233 561994003 /nfs/dbraw/zinc/99/40/03/561994003.db2.gz FZLSLIXTGTZYGP-YTCPBCGMSA-N 1 0 545.684 2.403 1 0 KEAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCCc1ccccc1 ZINC000029049996 561994170 /nfs/dbraw/zinc/99/41/70/561994170.db2.gz IXOXEJHAWDQWOR-HSZRJFAPSA-N 1 0 507.639 2.314 1 0 KEAFRO CC(C)C[C@H](NC(=O)C1CC[NH2+]CC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1 ZINC000029124954 561997239 /nfs/dbraw/zinc/99/72/39/561997239.db2.gz WYMQUJDMERVVKY-UPVQGACJSA-N 1 0 583.711 2.306 1 0 KEAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]C[C@@H]2C[C@@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125191 561997366 /nfs/dbraw/zinc/99/73/66/561997366.db2.gz YPZFZMLNDLGKFF-PWWMUWDUSA-N 1 0 577.642 2.477 1 0 KEAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]C[C@H]2C[C@@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125192 561997350 /nfs/dbraw/zinc/99/73/50/561997350.db2.gz YPZFZMLNDLGKFF-CSEPBSGISA-N 1 0 577.642 2.477 1 0 KEAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]C[C@@H]2C[C@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125193 561997385 /nfs/dbraw/zinc/99/73/85/561997385.db2.gz YPZFZMLNDLGKFF-IXEQURMKSA-N 1 0 577.642 2.477 1 0 KEAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH2+]C[C@H]2C[C@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125194 561997347 /nfs/dbraw/zinc/99/73/47/561997347.db2.gz YPZFZMLNDLGKFF-YYXKNZTASA-N 1 0 577.642 2.477 1 0 KEAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(c3ccccc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000029125613 561997848 /nfs/dbraw/zinc/99/78/48/561997848.db2.gz BQSSVJURWQLBMY-ZKMPZPQNSA-N 1 0 601.733 2.293 1 0 KEAFRO C[C@]12C[C@@H](Cc3ccccc3)CC(=O)N1[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)CS2 ZINC000029126141 561998462 /nfs/dbraw/zinc/99/84/62/561998462.db2.gz FDQWWKDWAOTARD-NUDCOPPTSA-N 1 0 528.704 2.387 1 0 KEAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C(=O)NCC[NH+]2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029126914 561999216 /nfs/dbraw/zinc/99/92/16/561999216.db2.gz JTNKLQJFNNBFGW-CWFKBQJKSA-N 1 0 642.761 2.041 1 0 KEAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCC[NH+]2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127008 561999362 /nfs/dbraw/zinc/99/93/62/561999362.db2.gz VJSKJJGCPATTMA-CTMYTVLESA-N 1 0 671.803 2.111 1 0 KEAFRO C[C@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000029127650 562000095 /nfs/dbraw/zinc/00/00/95/562000095.db2.gz PXYHFUBZOJLFQW-NJTBCWBZSA-N 1 0 556.729 2.356 1 0 KEAFRO C[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(S(C)(=O)=O)c1)C(=O)NC1CCCCC1 ZINC000029127692 562000173 /nfs/dbraw/zinc/00/01/73/562000173.db2.gz YKYXAHIQYWIJPR-LQGLAIQGSA-N 1 0 515.676 2.219 1 0 KEAFRO 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/nfs/dbraw/zinc/01/49/16/562014916.db2.gz RKPUZEMILRNVFB-FQEVSTJZSA-N 1 0 512.742 2.031 1 0 KEAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@H](Cc2ccccc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029389561 562016973 /nfs/dbraw/zinc/01/69/73/562016973.db2.gz FBNQLZUCWMSTKD-YWEHKCAJSA-N 1 0 653.740 2.051 1 0 KEAFRO CCn1cc(C(=O)Nc2ccc3c(c2)C(=O)NCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H](Cc2ccccc2)CO3)c(=O)c2ccc(C)nc21 ZINC000029389897 562017166 /nfs/dbraw/zinc/01/71/66/562017166.db2.gz FBNQLZUCWMSTKD-CUBQBAPOSA-N 1 0 653.740 2.051 1 0 KEAFRO [NH3+]CC[C@@H]1NC(=O)CCNC(=O)c2cc(NC(=O)c3cnc4ccccc4c3)ccc2OC[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000029390277 562017135 /nfs/dbraw/zinc/01/71/35/562017135.db2.gz STCPJEHMBOEASM-YWEHKCAJSA-N 1 0 610.671 2.266 1 0 KEAFRO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C(C)C ZINC000029391466 562017423 /nfs/dbraw/zinc/01/74/23/562017423.db2.gz ZTSJCQCBMQJXEW-KEVKATSASA-N 1 0 572.751 2.463 1 0 KEAFRO 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C[n+]1cccc(C(=O)NC[C@H](OC(=O)[C@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c2ccccc2)c1 ZINC000029479257 562026900 /nfs/dbraw/zinc/02/69/00/562026900.db2.gz ZTNQBEYTFYPVBK-ONJQCEQUSA-O 1 0 573.695 2.315 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(=O)OC3=CCCCC3)=C(S[C@@H]3CCO[C@@H]3C[NH3+])[C@H](C)[C@H]12 ZINC000029480213 562027145 /nfs/dbraw/zinc/02/71/45/562027145.db2.gz YODBYCHWCUZWRJ-REXXFTAASA-N 1 0 510.609 2.405 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@H](C)OC(=O)OC3=CCCCC3)=C(S[C@@H]3CCO[C@@H]3C[NH3+])[C@H](C)[C@H]12 ZINC000029480216 562027076 /nfs/dbraw/zinc/02/70/76/562027076.db2.gz YODBYCHWCUZWRJ-GGTHCWNTSA-N 1 0 510.609 2.405 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(=O)OC3=CCCCC3)=C(S[C@@H]3CCO[C@@H]3C[NH3+])[C@H](C)[C@@H]12 ZINC000029480219 562027133 /nfs/dbraw/zinc/02/71/33/562027133.db2.gz YODBYCHWCUZWRJ-COIWNWHVSA-N 1 0 510.609 2.405 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@H](C)OC(=O)OC3=CCCCC3)=C(S[C@@H]3CCO[C@@H]3C[NH3+])[C@H](C)[C@@H]12 ZINC000029480222 562027110 /nfs/dbraw/zinc/02/71/10/562027110.db2.gz YODBYCHWCUZWRJ-UBZHQMDQSA-N 1 0 510.609 2.405 1 0 KEAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000029557943 562032425 /nfs/dbraw/zinc/03/24/25/562032425.db2.gz KOWBUZKXPZUREJ-MHZLTWQESA-N 1 0 690.802 2.409 1 0 KEAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@H]([NH3+])CCCCNC(=O)OCc4ccccc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000029557947 562032437 /nfs/dbraw/zinc/03/24/37/562032437.db2.gz KOWBUZKXPZUREJ-HHHXNRCGSA-N 1 0 690.802 2.409 1 0 KEAFRO COCCOCCOC(=O)C1(C(=O)OCCOCCOC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029561093 562033214 /nfs/dbraw/zinc/03/32/14/562033214.db2.gz QIBFAWSNMWVHBC-BWKNWUBXSA-N 1 0 626.099 2.474 1 0 KEAFRO COC(=O)[C@H](C)OC(=O)C1(C(=O)O[C@@H](C)C(=O)OC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029562797 562033587 /nfs/dbraw/zinc/03/35/87/562033587.db2.gz SZBBAKJFGGSINX-JJDSTIRJSA-N 1 0 594.013 2.271 1 0 KEAFRO COC(=O)[C@@H](C)OC(=O)C1(C(=O)O[C@H](C)C(=O)OC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029562801 562033716 /nfs/dbraw/zinc/03/37/16/562033716.db2.gz SZBBAKJFGGSINX-LHUKNYEISA-N 1 0 594.013 2.271 1 0 KEAFRO COCCOC(=O)C1(C(=O)OCCOC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029563569 562033743 /nfs/dbraw/zinc/03/37/43/562033743.db2.gz RCCRBLQUBNJYCY-UTKZUKDTSA-N 1 0 537.993 2.441 1 0 KEAFRO CC(=O)OCOC(=O)C1(C(=O)OCOC(C)=O)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029564139 562034060 /nfs/dbraw/zinc/03/40/60/562034060.db2.gz HVCKQHOQLXAGQU-VFNWGFHPSA-N 1 0 565.959 2.189 1 0 KEAFRO CCOC(=O)COC(=O)C1(C(=O)OCC(=O)OCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029564841 562034253 /nfs/dbraw/zinc/03/42/53/562034253.db2.gz CSHDSXPBHMSYNW-UTKZUKDTSA-N 1 0 594.013 2.274 1 0 KEAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cc(Br)cc3ccccc32)CC1 ZINC000029565237 562034192 /nfs/dbraw/zinc/03/41/92/562034192.db2.gz JHTYUOFZQXTKDP-RUZDIDTESA-N 1 0 615.554 2.112 1 0 KEAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCc2cc(Br)cc3ccccc32)CC1 ZINC000029565241 562034218 /nfs/dbraw/zinc/03/42/18/562034218.db2.gz JHTYUOFZQXTKDP-VWLOTQADSA-N 1 0 615.554 2.112 1 0 KEAFRO CC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1 ZINC000029567440 562034675 /nfs/dbraw/zinc/03/46/75/562034675.db2.gz MKVJBWPQSIEUJD-MUUNZHRXSA-N 1 0 590.750 2.003 1 0 KEAFRO CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)NCC(C)(c2ccccc2)c2ccccc2)CC1 ZINC000029567444 562034687 /nfs/dbraw/zinc/03/46/87/562034687.db2.gz MKVJBWPQSIEUJD-NDEPHWFRSA-N 1 0 590.750 2.003 1 0 KEAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC1=[NH+]CCCN1)C(=O)N1CCCCC1 ZINC000029569141 562035180 /nfs/dbraw/zinc/03/51/80/562035180.db2.gz GGFWOXOTHNAREN-QFIPXVFZSA-N 1 0 514.696 2.284 1 0 KEAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](CCCNC1=[NH+]CCCN1)C(=O)N1CCCCC1 ZINC000029569144 562035158 /nfs/dbraw/zinc/03/51/58/562035158.db2.gz GGFWOXOTHNAREN-JOCHJYFZSA-N 1 0 514.696 2.284 1 0 KEAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCOCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000031851252 562036486 /nfs/dbraw/zinc/03/64/86/562036486.db2.gz XJELDDZCOWMPQO-PAWHMVCQSA-N 1 0 512.559 2.036 1 0 KEAFRO COC(=O)[C@@H](O)[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@@H]13)OCO4 ZINC000033831995 560088435 /nfs/dbraw/zinc/08/84/35/560088435.db2.gz CAOHZEUEVKYHPF-KIDVGTIYSA-N 1 0 531.602 2.047 1 0 biogenic,in-vitro KEAFRO COC(=O)[C@@H](O)[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000033831996 562037649 /nfs/dbraw/zinc/03/76/49/562037649.db2.gz CAOHZEUEVKYHPF-XWHOPEMDSA-N 1 0 531.602 2.047 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)cc1 ZINC000034689145 562039512 /nfs/dbraw/zinc/03/95/12/562039512.db2.gz CTXOPIKSHHQGMK-BDYUSTAISA-N 1 0 559.692 2.424 1 0 KEAFRO NC(=[NH2+])N1CCC(CNC(=O)[C@@H]2CC[C@H]3CN(C(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)CC1 ZINC000034689154 562039577 /nfs/dbraw/zinc/03/95/77/562039577.db2.gz UYTHUFLQSSBJDC-AHWVRZQESA-N 1 0 530.673 2.132 1 0 KEAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4cccnc43)CC2)C1 ZINC000034804853 562043512 /nfs/dbraw/zinc/04/35/12/562043512.db2.gz JBLOHPBDSXSVNC-JOCHJYFZSA-N 1 0 645.580 2.276 1 0 KEAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4cccnc43)CC2)C1 ZINC000034804860 562043468 /nfs/dbraw/zinc/04/34/68/562043468.db2.gz JBLOHPBDSXSVNC-QFIPXVFZSA-N 1 0 645.580 2.276 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCN4C(=O)COc5ccc(OC(F)(F)F)cc54)CC3)nc2N1 ZINC000034846312 562043724 /nfs/dbraw/zinc/04/37/24/562043724.db2.gz SJFWKKUVCFFLOM-UHFFFAOYSA-N 1 0 521.496 2.291 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCN4C(=O)COc5ccc(Br)cc54)CC3)nc2N1 ZINC000034846565 562043778 /nfs/dbraw/zinc/04/37/78/562043778.db2.gz IOTQMKWKQPFOSC-UHFFFAOYSA-N 1 0 516.396 2.155 1 0 KEAFRO C[NH+](C)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1ccccc1 ZINC000034873429 562043740 /nfs/dbraw/zinc/04/37/40/562043740.db2.gz KFFHPHUPVZQMDB-UHFFFAOYSA-N 1 0 500.665 2.467 1 0 KEAFRO COc1ccc2ncc(Cl)c(CC[N@@H+]3C[C@@H](O)[C@@H](CNCc4ccc5c(n4)NC(=O)CS5)C3)c2n1 ZINC000035822049 562045367 /nfs/dbraw/zinc/04/53/67/562045367.db2.gz LSSGHDHHRGHIFQ-IFXJQAMLSA-N 1 0 515.039 2.356 1 0 KEAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000035836144 562045529 /nfs/dbraw/zinc/04/55/29/562045529.db2.gz LEBKSHOMBWCKQM-RUZDIDTESA-N 1 0 508.598 2.186 1 0 KEAFRO NC(=O)Nc1cccc(O[P@](=O)(OC2=CC=C[C@H](NC(N)=O)C2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000035931737 562045785 /nfs/dbraw/zinc/04/57/85/562045785.db2.gz SIDJPQQFYFLFOI-RWNYXDPESA-N 1 0 518.511 2.347 1 0 KEAFRO COC(=O)[C@H](Cc1ccc(OP(=O)(Oc2ccc(C[C@H](NC(C)=O)C(=O)OC)cc2)[C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)cc1)NC(C)=O ZINC000035931744 562045787 /nfs/dbraw/zinc/04/57/87/562045787.db2.gz HPIRRXTXDVXXEI-KRCBVYEFSA-N 1 0 686.699 2.478 1 0 KEAFRO COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H]([NH2+][C@H]2CCOC[C@H]2OC)C1 ZINC000035985762 562046051 /nfs/dbraw/zinc/04/60/51/562046051.db2.gz LEKDUFRGDHBSPX-AWWSKVOZSA-N 1 0 500.562 2.328 1 0 KEAFRO [NH3+]CCCC[C@H](NS(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)C(=O)N1CCC(CCF)CC1 ZINC000036093428 562047157 /nfs/dbraw/zinc/04/71/57/562047157.db2.gz WKSKPCJKECDVEK-ZCYQVOJMSA-N 1 0 549.713 2.471 1 0 KEAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)N[C@]1(C(=O)NCc2ccc(C(N)=[NH2+])cc2)Cc2ccc3ccccc3c2C1 ZINC000036107732 562047339 /nfs/dbraw/zinc/04/73/39/562047339.db2.gz XSPHSWHLHARGRZ-VAVYLYDRSA-N 1 0 515.614 2.093 1 0 KEAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)N[C@@]1(C(=O)NCc2ccc(C(N)=[NH2+])cc2)Cc2ccc3ccccc3c2C1 ZINC000036107733 562047352 /nfs/dbraw/zinc/04/73/52/562047352.db2.gz XSPHSWHLHARGRZ-IRPSRAIASA-N 1 0 515.614 2.093 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000036124891 562047480 /nfs/dbraw/zinc/04/74/80/562047480.db2.gz PWAMRQBZIMSSPD-DZUOILHNSA-N 1 0 616.763 2.066 1 0 KEAFRO CC(C)(C)NC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000036124893 562047494 /nfs/dbraw/zinc/04/74/94/562047494.db2.gz PWAMRQBZIMSSPD-FKWFRFQNSA-N 1 0 616.763 2.066 1 0 KEAFRO CC[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@H](C(=O)NC(C)(C)C)C1 ZINC000036139733 562047889 /nfs/dbraw/zinc/04/78/89/562047889.db2.gz OSKPZNREYUWPKK-AWUCKFEESA-N 1 0 550.744 2.292 1 0 KEAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)NC1(C(=O)NCc2ccc(C(N)=[NH2+])cc2)Cc2cccc3cccc(c32)C1 ZINC000036179052 562049929 /nfs/dbraw/zinc/04/99/29/562049929.db2.gz MLJJORLPSDUFKJ-RUZDIDTESA-N 1 0 515.614 2.093 1 0 KEAFRO CC(C)[C@@H]([NH2+]CC(=O)[O-])C(=O)NC1(C(=O)NCc2ccc(C(N)=[NH2+])cc2)Cc2cc3ccccc3cc2C1 ZINC000036179072 562049924 /nfs/dbraw/zinc/04/99/24/562049924.db2.gz IZYHJJYCGVXMLQ-RUZDIDTESA-N 1 0 515.614 2.093 1 0 KEAFRO Cn1c2cc(-c3ccc(S(=O)(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2c(=O)n(C)c1=O ZINC000036190457 562051160 /nfs/dbraw/zinc/05/11/60/562051160.db2.gz HJNBLTDLLWYNHG-UHFFFAOYSA-N 1 0 507.616 2.175 1 0 KEAFRO NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000036216378 562051224 /nfs/dbraw/zinc/05/12/24/562051224.db2.gz UHSIKTZSFPWTDC-RACKDBBVSA-N 1 0 621.738 2.347 1 0 in-vivo KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)NCc2ccccc2)C1=O ZINC000036221912 562051645 /nfs/dbraw/zinc/05/16/45/562051645.db2.gz HAQFBGNRXYPSQF-SVBPBHIXSA-N 1 0 514.626 2.265 1 0 in-vivo KEAFRO CC(C)NC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036284731 562053391 /nfs/dbraw/zinc/05/33/91/562053391.db2.gz VWDTWVISHQXUJG-JOCHJYFZSA-N 1 0 564.518 2.321 1 0 KEAFRO CC(C)[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)N[C@H](C)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868464 562062495 /nfs/dbraw/zinc/06/24/95/562062495.db2.gz LJZUOIBSYJRCOZ-RYCFVGSHSA-N 1 0 653.785 2.420 1 0 KEAFRO CC(C)[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)N[C@@H](C)c1ccc(F)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000037868465 562062512 /nfs/dbraw/zinc/06/25/12/562062512.db2.gz LJZUOIBSYJRCOZ-KMAVCZJNSA-N 1 0 653.785 2.420 1 0 KEAFRO C[N+](C)(C)CCCC[C@@H]1NC(=O)[C@@H]2C[C@H](C(=O)NCc3ccc(F)cc3)[C@H](c3cccc(OCCO)c3)N2C1=O ZINC000038144523 717125656 /nfs/dbraw/zinc/12/56/56/717125656.db2.gz OTTWGPCKOVYEPD-FWEHEUNISA-O 1 0 555.671 2.146 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000038145878 562064537 /nfs/dbraw/zinc/06/45/37/562064537.db2.gz LUZRJRNZXALNLM-HGZIASHZSA-N 1 0 583.689 2.081 1 0 KEAFRO C[N@@H+]1C[C@H](C(=O)N[C@@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000038145880 562064500 /nfs/dbraw/zinc/06/45/00/562064500.db2.gz LUZRJRNZXALNLM-OGNHMBFISA-N 1 0 583.689 2.081 1 0 KEAFRO O=C(c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CC[C@@H](O)C1 ZINC000038662220 562072174 /nfs/dbraw/zinc/07/21/74/562072174.db2.gz JDTCZRQCZFSKET-RTWAWAEBSA-N 1 0 502.995 2.462 1 0 KEAFRO CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1 ZINC000038750656 562072326 /nfs/dbraw/zinc/07/23/26/562072326.db2.gz FRCSGPIZMKPBKK-NRFANRHFSA-N 1 0 518.010 2.121 1 0 KEAFRO O=C(c1ccc(O)cc1OC[C@@H](O)C[NH+]1CCC2(Cc3cc(Cl)ccc3O2)CC1)N1CC[C@H](O)C1 ZINC000038853014 562072389 /nfs/dbraw/zinc/07/23/89/562072389.db2.gz JDTCZRQCZFSKET-SFTDATJTSA-N 1 0 502.995 2.462 1 0 KEAFRO COc1cccc(CN(C(=O)C2CC2)[C@@H]2C[C@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040404260 562074816 /nfs/dbraw/zinc/07/48/16/562074816.db2.gz SGJUACHBLJMCQR-ILBGXUMGSA-N 1 0 520.630 2.237 1 0 KEAFRO COc1cccc(CN(C(=O)C2CC2)[C@H]2C[C@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040404264 562074859 /nfs/dbraw/zinc/07/48/59/562074859.db2.gz SGJUACHBLJMCQR-UKILVPOCSA-N 1 0 520.630 2.237 1 0 KEAFRO COc1cccc(CN(C(=O)C2CC2)[C@@H]2C[C@@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040404267 562074832 /nfs/dbraw/zinc/07/48/32/562074832.db2.gz SGJUACHBLJMCQR-NOZRDPDXSA-N 1 0 520.630 2.237 1 0 KEAFRO COc1cccc(CN(C(=O)C2CC2)[C@H]2C[C@@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040404271 562074795 /nfs/dbraw/zinc/07/47/95/562074795.db2.gz SGJUACHBLJMCQR-ZCYQVOJMSA-N 1 0 520.630 2.237 1 0 KEAFRO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040411593 562075305 /nfs/dbraw/zinc/07/53/05/562075305.db2.gz FUTBXMDGBHHNLB-MOPGFXCFSA-N 1 0 509.554 2.016 1 0 KEAFRO CSc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040411596 562075320 /nfs/dbraw/zinc/07/53/20/562075320.db2.gz FUTBXMDGBHHNLB-OALUTQOASA-N 1 0 509.554 2.016 1 0 KEAFRO CSc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040411599 562075322 /nfs/dbraw/zinc/07/53/22/562075322.db2.gz FUTBXMDGBHHNLB-RTBURBONSA-N 1 0 509.554 2.016 1 0 KEAFRO CSc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040411602 562075311 /nfs/dbraw/zinc/07/53/11/562075311.db2.gz FUTBXMDGBHHNLB-RBUKOAKNSA-N 1 0 509.554 2.016 1 0 KEAFRO CC(C)CN(CC[NH2+]CCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000040421642 562075759 /nfs/dbraw/zinc/07/57/59/562075759.db2.gz BMXYVKCLBAGXOY-UHFFFAOYSA-N 1 0 525.741 2.434 1 0 in-vitro KEAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)nc(NC3CCS(=O)(=O)CC3)c2cc1OC ZINC000040429132 562076685 /nfs/dbraw/zinc/07/66/85/562076685.db2.gz QQIBCGYSHGHDJH-SFHVURJKSA-N 1 0 533.695 2.309 1 0 KEAFRO COc1cc2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)nc(NC3CCS(=O)(=O)CC3)c2cc1OC ZINC000040429134 562076729 /nfs/dbraw/zinc/07/67/29/562076729.db2.gz QQIBCGYSHGHDJH-GOSISDBHSA-N 1 0 533.695 2.309 1 0 KEAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1)cc3N(C)S(=O)(=O)CC2 ZINC000040429666 562076697 /nfs/dbraw/zinc/07/66/97/562076697.db2.gz STVPNNWNBWFITL-UKILVPOCSA-N 1 0 510.660 2.437 1 0 KEAFRO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040429724 562076761 /nfs/dbraw/zinc/07/67/61/562076761.db2.gz JZTKKQOTCBZVAE-VQTJNVASSA-N 1 0 523.581 2.358 1 0 KEAFRO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000040429726 562076674 /nfs/dbraw/zinc/07/66/74/562076674.db2.gz JZTKKQOTCBZVAE-WOJBJXKFSA-N 1 0 523.581 2.358 1 0 KEAFRO COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CCC[NH+](C)C)cn3C)cn2C)cn1C ZINC000040567943 562078153 /nfs/dbraw/zinc/07/81/53/562078153.db2.gz WSBCVRCVWVPFNL-UHFFFAOYSA-N 1 0 511.583 2.274 1 0 KEAFRO C[C@@H](Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1n(C)c(=O)n2C ZINC000040576878 562078325 /nfs/dbraw/zinc/07/83/25/562078325.db2.gz KELDFCQRFORPJT-PXNSSMCTSA-N 1 0 505.575 2.124 1 0 KEAFRO C[C@H](Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1n(C)c(=O)n2C ZINC000040576880 562078270 /nfs/dbraw/zinc/07/82/70/562078270.db2.gz KELDFCQRFORPJT-XLIONFOSSA-N 1 0 505.575 2.124 1 0 KEAFRO CCOC(=O)COc1ccc(CNC(=O)[C@@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000040848701 562080563 /nfs/dbraw/zinc/08/05/63/562080563.db2.gz FRVFMEUXKDHFQW-VGSWGCGISA-N 1 0 520.508 2.209 1 0 KEAFRO CCOC(=O)COc1ccc(CNC(=O)[C@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000040848703 562080559 /nfs/dbraw/zinc/08/05/59/562080559.db2.gz FRVFMEUXKDHFQW-VGOFRKELSA-N 1 0 520.508 2.209 1 0 KEAFRO CCN(CC)c1nc2c(nc(SCC(=O)NCCNC(N)=[NH2+])n2CCc2c[nH]c3ccccc23)c(C)n1 ZINC000040863109 562080893 /nfs/dbraw/zinc/08/08/93/562080893.db2.gz KDHVBAWFLMDXCO-UHFFFAOYSA-N 1 0 522.683 2.396 1 0 KEAFRO COc1cccc(CN(C(=O)C(C)C)[C@@H]2C[C@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040899404 562083262 /nfs/dbraw/zinc/08/32/62/562083262.db2.gz DYLVDWNJOKFGCZ-ILBGXUMGSA-N 1 0 522.646 2.483 1 0 KEAFRO COc1cccc(CN(C(=O)C(C)C)[C@H]2C[C@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040899407 562083298 /nfs/dbraw/zinc/08/32/98/562083298.db2.gz DYLVDWNJOKFGCZ-UKILVPOCSA-N 1 0 522.646 2.483 1 0 KEAFRO COc1cccc(CN(C(=O)C(C)C)[C@@H]2C[C@@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040899410 562083342 /nfs/dbraw/zinc/08/33/42/562083342.db2.gz DYLVDWNJOKFGCZ-NOZRDPDXSA-N 1 0 522.646 2.483 1 0 KEAFRO COc1cccc(CN(C(=O)C(C)C)[C@H]2C[C@@H](C(=O)N3CC[NH2+]CC3)N(Cc3ccc4c(c3)OCO4)C2)c1 ZINC000040899413 562083338 /nfs/dbraw/zinc/08/33/38/562083338.db2.gz DYLVDWNJOKFGCZ-ZCYQVOJMSA-N 1 0 522.646 2.483 1 0 KEAFRO CCOC(=O)COc1cccc(CNC(=O)[C@@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000040933320 562084585 /nfs/dbraw/zinc/08/45/85/562084585.db2.gz OWIBONKFADLKCC-VGSWGCGISA-N 1 0 520.508 2.209 1 0 KEAFRO CCOC(=O)COc1cccc(CNC(=O)[C@H]2CC=NN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)c1 ZINC000040933322 562084569 /nfs/dbraw/zinc/08/45/69/562084569.db2.gz OWIBONKFADLKCC-VGOFRKELSA-N 1 0 520.508 2.209 1 0 KEAFRO C[NH2+]CC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000040973856 562087058 /nfs/dbraw/zinc/08/70/58/562087058.db2.gz QRRRFXRYQZQTNR-UHFFFAOYSA-N 1 0 519.567 2.027 1 0 KEAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2ccccc2)C[C@H]1C[NH+]1CCCC1 ZINC000040976616 562087322 /nfs/dbraw/zinc/08/73/22/562087322.db2.gz SMFLJLXMNCFDOQ-LJQANCHMSA-N 1 0 519.023 2.245 1 0 KEAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1C[NH+]1CCCC1 ZINC000040976618 562087324 /nfs/dbraw/zinc/08/73/24/562087324.db2.gz SMFLJLXMNCFDOQ-IBGZPJMESA-N 1 0 519.023 2.245 1 0 KEAFRO COc1cc2c(cc1OC)[C@H](CC(=O)NCCCCNC(N)=[NH2+])N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000040976691 562087312 /nfs/dbraw/zinc/08/73/12/562087312.db2.gz IZACADHFJUIVEC-NRFANRHFSA-N 1 0 517.652 2.070 1 0 KEAFRO CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000042920550 581099227 /nfs/dbraw/zinc/09/92/27/581099227.db2.gz PXOANDCKEAOVJN-OFAXGOBFSA-N 1 0 547.747 2.359 1 0 KEAFRO CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000042923523 581096302 /nfs/dbraw/zinc/09/63/02/581096302.db2.gz OSAYNAICIRJYGY-RPLLCQBOSA-N 1 0 554.713 2.454 1 0 KEAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCOCC2)cc2c1CCCS(=O)(=O)N2C ZINC000043015336 581096304 /nfs/dbraw/zinc/09/63/04/581096304.db2.gz KTXBXDPQEZZPTQ-AHKZPQOWSA-N 1 0 544.718 2.301 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)CN2c3ccccc3SC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)cc1 ZINC000043021935 562644933 /nfs/dbraw/zinc/64/49/33/562644933.db2.gz LSLVCIWDJBWFRJ-NRFANRHFSA-N 1 0 537.667 2.214 1 0 KEAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)CNC(C)=O)C[C@H]1c1ccccc1 ZINC000043027228 562645053 /nfs/dbraw/zinc/64/50/53/562645053.db2.gz KEBGEOSFYGRLDX-SFTDATJTSA-N 1 0 531.539 2.300 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)(C)O)C1 ZINC000043103481 562645950 /nfs/dbraw/zinc/64/59/50/562645950.db2.gz FOBLRIRQRSDRIM-ZBNTXBBCSA-N 1 0 514.589 2.452 1 0 KEAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000043120168 562646071 /nfs/dbraw/zinc/64/60/71/562646071.db2.gz FBCAWJXDTWUBGJ-AHKZPQOWSA-N 1 0 554.713 2.454 1 0 KEAFRO CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCF)cc3N(C)S(=O)(=O)CC2 ZINC000043123053 562646253 /nfs/dbraw/zinc/64/62/53/562646253.db2.gz MRGNUQIOLFDABG-XUZZJYLKSA-N 1 0 516.639 2.244 1 0 KEAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)C[NH2+]2)C1=O ZINC000043127631 562646310 /nfs/dbraw/zinc/64/63/10/562646310.db2.gz LAMCTYMUFVYFER-MDTHDYQLSA-N 1 0 614.734 2.231 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@@H]1O ZINC000043206647 562647088 /nfs/dbraw/zinc/64/70/88/562647088.db2.gz ODHDKYQTZUUNJQ-WLRWDXFRSA-N 1 0 519.496 2.402 1 0 KEAFRO 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)c1ccncc1 ZINC000043323480 562647860 /nfs/dbraw/zinc/64/78/60/562647860.db2.gz FPBNNSINPSSWEU-XDBHGIFISA-N 1 0 570.694 2.489 1 0 KEAFRO 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)c1ccncc1 ZINC000043323482 562647844 /nfs/dbraw/zinc/64/78/44/562647844.db2.gz FPBNNSINPSSWEU-PKOPPFNUSA-N 1 0 570.694 2.489 1 0 KEAFRO CCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)[NH2+]CCOc1ccccc1/C=C/CNC(C)=O)C(C)C)C(N)=O ZINC000043543860 562649503 /nfs/dbraw/zinc/64/95/03/562649503.db2.gz ZXUVTCBRADPPOT-BBDWGNOWSA-N 1 0 595.741 2.032 1 0 KEAFRO NC(=O)[C@@H](Cc1cccc2ccccc21)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000044018583 562651515 /nfs/dbraw/zinc/65/15/15/562651515.db2.gz MDZXNEFZMWHDRL-RACKDBBVSA-N 1 0 621.738 2.347 1 0 KEAFRO COC(=O)[C@H]1[C@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H](CNC(=O)c2cc(Br)c[nH]2)[C@@H]1c1c[nH+]c(N)[nH]1 ZINC000044306039 562653636 /nfs/dbraw/zinc/65/36/36/562653636.db2.gz LVDKKOOTMKCMLK-SKNMWMDOSA-N 1 0 597.268 2.152 1 0 KEAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[NH2+]C ZINC000044308339 562654276 /nfs/dbraw/zinc/65/42/76/562654276.db2.gz JICSVJQEGDFDBH-ULNSLHSMSA-N 1 0 589.712 2.422 1 0 KEAFRO COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCC[NH+](C)CCOC2)cc1 ZINC000044351392 562654630 /nfs/dbraw/zinc/65/46/30/562654630.db2.gz VRPYTXIQAZYPAK-URLMMPGGSA-N 1 0 607.770 2.388 1 0 KEAFRO CC(C)CCC[C@H]1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)O1 ZINC000044351406 562654704 /nfs/dbraw/zinc/65/47/04/562654704.db2.gz KIIFEJGTOKNNQA-MRLUPLGUSA-N 1 0 595.745 2.076 1 0 KEAFRO CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1cccc(C[n+]2cccc(C(N)=O)c2)c1 ZINC000044406189 562656822 /nfs/dbraw/zinc/65/68/22/562656822.db2.gz KBGVWERQYKZIII-SMGXNKOPSA-P 1 0 605.742 2.146 1 0 KEAFRO C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)C[NH3+] ZINC000045168759 562658175 /nfs/dbraw/zinc/65/81/75/562658175.db2.gz DFJHAVGIQFYAJE-FDTGPBLFSA-N 1 0 504.672 2.402 1 0 KEAFRO C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[NH3+] ZINC000045168761 562658165 /nfs/dbraw/zinc/65/81/65/562658165.db2.gz DFJHAVGIQFYAJE-QGQQZZQASA-N 1 0 504.672 2.402 1 0 KEAFRO CC(=O)Nc1ccc(OCCC[NH+]2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000045298724 562660403 /nfs/dbraw/zinc/66/04/03/562660403.db2.gz UIGDXJJHEMMMGD-AREMUKBSSA-N 1 0 514.577 2.489 1 0 KEAFRO CC(=O)Nc1ccc(OCCC[NH+]2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000045298726 562660369 /nfs/dbraw/zinc/66/03/69/562660369.db2.gz UIGDXJJHEMMMGD-SANMLTNESA-N 1 0 514.577 2.489 1 0 KEAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C(C)(C)CO)C3)C[C@@H]2C1 ZINC000045385904 562662390 /nfs/dbraw/zinc/66/23/90/562662390.db2.gz OLCKWXUKSKIWBP-ZRZAMGCNSA-N 1 0 505.663 2.286 1 0 KEAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)[C@@H]4CCOC4)C3)C[C@@H]2C1 ZINC000045387494 562662417 /nfs/dbraw/zinc/66/24/17/562662417.db2.gz TUQYFCRVUUOYQG-SMIHKQSGSA-N 1 0 503.647 2.304 1 0 KEAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)[C@H]4CCOC4)C3)C[C@@H]2C1 ZINC000045387498 562662442 /nfs/dbraw/zinc/66/24/42/562662442.db2.gz TUQYFCRVUUOYQG-KMDXXIMOSA-N 1 0 503.647 2.304 1 0 KEAFRO CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)nc2c1=O ZINC000045495121 562662600 /nfs/dbraw/zinc/66/26/00/562662600.db2.gz XBLGRIMBLMBXMW-UHFFFAOYSA-N 1 0 522.631 2.433 1 0 KEAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(C[NH2+]CCO)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049071556 562664161 /nfs/dbraw/zinc/66/41/61/562664161.db2.gz HTDRAMWKLLFZER-UHFFFAOYSA-N 1 0 509.006 2.388 1 0 KEAFRO 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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049833209 562687606 /nfs/dbraw/zinc/68/76/06/562687606.db2.gz WCEMFCFLRANOGP-LMHKMPGVSA-N 1 0 638.769 2.359 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049833582 562687897 /nfs/dbraw/zinc/68/78/97/562687897.db2.gz WCEMFCFLRANOGP-DRCGAMLMSA-N 1 0 638.769 2.359 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049852150 562688837 /nfs/dbraw/zinc/68/88/37/562688837.db2.gz WCEMFCFLRANOGP-JPQUJUHESA-N 1 0 638.769 2.359 1 0 KEAFRO CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(N3CC[NH2+]CC3)s1)n2CCC(N)=O ZINC000049867598 562689578 /nfs/dbraw/zinc/68/95/78/562689578.db2.gz CABJCPPEBOXLNC-UHFFFAOYSA-N 1 0 531.642 2.912 1 0 KEAFRO 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562691257 /nfs/dbraw/zinc/69/12/57/562691257.db2.gz NNCHHNWYFLIOOY-IBGZPJMESA-N 1 0 549.049 2.254 1 0 KEAFRO 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]2NC(=O)O[C@@]21C ZINC000049888582 562691337 /nfs/dbraw/zinc/69/13/37/562691337.db2.gz RMVAEUQFMIIYFL-SAKABTEHSA-N 1 0 612.761 2.478 1 0 KEAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(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](O)[C@]1(C)O ZINC000049888597 562691325 /nfs/dbraw/zinc/69/13/25/562691325.db2.gz UHMRVTFUDQTJSA-CEOOCHGGSA-N 1 0 631.804 2.085 1 0 KEAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(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](O)[C@]1(C)O ZINC000049888598 562691321 /nfs/dbraw/zinc/69/13/21/562691321.db2.gz UHMRVTFUDQTJSA-HSFZBLCZSA-N 1 0 631.804 2.085 1 0 KEAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(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](O)[C@]1(C)O ZINC000049888599 562691334 /nfs/dbraw/zinc/69/13/34/562691334.db2.gz UHMRVTFUDQTJSA-QVTLVPHTSA-N 1 0 631.804 2.085 1 0 KEAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(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](O)[C@]1(C)O ZINC000049888600 562691332 /nfs/dbraw/zinc/69/13/32/562691332.db2.gz UHMRVTFUDQTJSA-JIKIJLDQSA-N 1 0 631.804 2.085 1 0 KEAFRO Cc1nc2c(=O)[nH]c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCCC2 ZINC000049888772 562691443 /nfs/dbraw/zinc/69/14/43/562691443.db2.gz XRTOCPXIAIWZLA-FLPLPDKSSA-N 1 0 696.853 2.014 1 0 KEAFRO CCO[C@]12C[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)c(OC)c1)[C@@]13[C@H]4[C@@H]2[C@H](OC)[C@@H]1[C@](COC)(C[N@@H+]4CC)[C@H](O)C[C@@H]3OC ZINC000049889069 562691732 /nfs/dbraw/zinc/69/17/32/562691732.db2.gz YIVSWIKKWQABGU-HZKWNRCISA-N 1 0 675.816 2.168 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000049889167 562691840 /nfs/dbraw/zinc/69/18/40/562691840.db2.gz WCEMFCFLRANOGP-AKOOALSVSA-N 1 0 638.769 2.359 1 0 KEAFRO Cc1nc2c(=O)[nH]c1CCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC2 ZINC000049898621 562692675 /nfs/dbraw/zinc/69/26/75/562692675.db2.gz XBXULXTXMYBPLE-FLPLPDKSSA-N 1 0 696.853 2.014 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CCc2[nH]c(=O)c(nc2C)CCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000049917526 562693528 /nfs/dbraw/zinc/69/35/28/562693528.db2.gz ONRASBMGUCXWGK-MKTDKWDHSA-N 1 0 740.906 2.336 1 0 KEAFRO CCn1cnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc2N1CCCCS1(=O)=O ZINC000049917816 562693953 /nfs/dbraw/zinc/69/39/53/562693953.db2.gz DCHALMBTWHCPIB-RPLLCQBOSA-N 1 0 569.728 2.457 1 0 KEAFRO 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]2NC(=O)O[C@@]21C ZINC000049947030 562695667 /nfs/dbraw/zinc/69/56/67/562695667.db2.gz RMVAEUQFMIIYFL-LHALEAOASA-N 1 0 612.761 2.478 1 0 KEAFRO CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cc(Cl)ccc2OCc2ccccc2)[C@H](O)[C@@H]1[NH3+] ZINC000053151251 562696280 /nfs/dbraw/zinc/69/62/80/562696280.db2.gz CHWZXNHFXXEIRA-BINBFKAUSA-N 1 0 523.981 2.002 1 0 KEAFRO NC(=O)/C(=C/c1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000053227601 562696580 /nfs/dbraw/zinc/69/65/80/562696580.db2.gz XFYFZIUMRTWCIL-INUMRJPYSA-N 1 0 567.646 2.053 1 0 KEAFRO COC(=O)[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000058519935 562698495 /nfs/dbraw/zinc/69/84/95/562698495.db2.gz KKNAAPVJEPGURT-VWNXMTODSA-N 1 0 522.627 2.425 1 0 KEAFRO 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/nfs/dbraw/zinc/70/03/41/562700341.db2.gz CTFVKSUPXZTCPH-GOTSBHOMSA-N 1 0 612.761 2.356 1 0 KEAFRO CC(=O)O[C@@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cnc3c2ncnc3N2CC[NH+](C)CC2)[C@]1(C)F ZINC000058591732 562700499 /nfs/dbraw/zinc/70/04/99/562700499.db2.gz GEHRSNBCUKZFFE-NEOYCHAESA-N 1 0 526.569 2.383 1 0 KEAFRO CC(=O)O[C@@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@H](n2cnc3c2ncnc3N2CC[NH+](C)CC2)[C@]1(C)F ZINC000058592319 562700601 /nfs/dbraw/zinc/70/06/01/562700601.db2.gz GEHRSNBCUKZFFE-DCSNJQJVSA-N 1 0 526.569 2.383 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3C[C@H]([NH3+])[C@@H]5O[C@H](C)OC[C@H]5O3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000058627874 562701164 /nfs/dbraw/zinc/70/11/64/562701164.db2.gz BTKQJXHSDWNDAS-MGBCSGGSSA-N 1 0 571.579 2.334 1 0 KEAFRO CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000059677467 562702148 /nfs/dbraw/zinc/70/21/48/562702148.db2.gz UJYGDMFEEDNVBF-ODDOXZGISA-N 1 0 561.683 2.040 1 0 KEAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CN(C(=O)c1ccc(OC)c(CCNC(=O)OC)c1)C(C)C ZINC000062188921 562704332 /nfs/dbraw/zinc/70/43/32/562704332.db2.gz ZSZRPUJYXHTOID-COPCDDAFSA-N 1 0 508.660 2.075 1 0 KEAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CN(C(C)C)S(=O)(=O)c1ccc(OC)c(OCCCOC)c1 ZINC000062188949 562704361 /nfs/dbraw/zinc/70/43/61/562704361.db2.gz HKGJUUIKGOANAU-HJNYFJLDSA-N 1 0 531.716 2.140 1 0 KEAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCS(=O)(=O)N2C ZINC000062233564 562704398 /nfs/dbraw/zinc/70/43/98/562704398.db2.gz HALKXQJKSWVOGT-UKILVPOCSA-N 1 0 500.665 2.285 1 0 KEAFRO CC[NH2+][C@H]1CN(c2nc([N-]c3nc(SC)cc(-c4ccc(OC)c(OC)c4)n3)nc(N3CCO[C@H]([NH2+]CC)C3)n2)CCO1 ZINC000064373127 562704855 /nfs/dbraw/zinc/70/48/55/562704855.db2.gz CTFVKSUPXZTCPH-ZRZAMGCNSA-N 1 0 612.761 2.356 1 0 KEAFRO CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000064466125 562705724 /nfs/dbraw/zinc/70/57/24/562705724.db2.gz YDOTUXAWKBPQJW-HZNVAFASSA-N 1 0 575.710 2.430 1 0 KEAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC[NH+](C)C ZINC000064475241 562705822 /nfs/dbraw/zinc/70/58/22/562705822.db2.gz BVYSBHFSUCNWMZ-ZEQRLZLVSA-N 1 0 510.635 2.302 1 0 KEAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCC[NH+](C)C ZINC000064475242 562705854 /nfs/dbraw/zinc/70/58/54/562705854.db2.gz BVYSBHFSUCNWMZ-RPWUZVMVSA-N 1 0 510.635 2.302 1 0 KEAFRO CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000064479697 562705863 /nfs/dbraw/zinc/70/58/63/562705863.db2.gz YDOTUXAWKBPQJW-JIDJBKMXSA-N 1 0 575.710 2.430 1 0 KEAFRO 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)NC(C)(C)C ZINC000064540252 562707690 /nfs/dbraw/zinc/70/76/90/562707690.db2.gz PIRKAGNKJAFOFW-KCHLEUMXSA-N 1 0 632.810 2.241 1 0 KEAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C(C)C ZINC000064548569 562707838 /nfs/dbraw/zinc/70/78/38/562707838.db2.gz CUCVHTKXOMFPER-AWCRTANDSA-N 1 0 632.810 2.099 1 0 KEAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CC(C)C ZINC000064548735 562707901 /nfs/dbraw/zinc/70/79/01/562707901.db2.gz GSYMSVKFHJUAEO-DTXPUJKBSA-N 1 0 646.837 2.489 1 0 KEAFRO CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000064675731 562708989 /nfs/dbraw/zinc/70/89/89/562708989.db2.gz UJYGDMFEEDNVBF-ZIUFYAKKSA-N 1 0 561.683 2.040 1 0 KEAFRO CC(C)[C@H]1C(=O)N2CCC[C@@H]2[C@]2(O)O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N12 ZINC000064744104 562709122 /nfs/dbraw/zinc/70/91/22/562709122.db2.gz UJYGDMFEEDNVBF-KBJPUNPJSA-N 1 0 561.683 2.040 1 0 KEAFRO 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)N1CCCCC1 ZINC000064746272 562709135 /nfs/dbraw/zinc/70/91/35/562709135.db2.gz AFEXZJOSXKZYKJ-DTXPUJKBSA-N 1 0 644.821 2.339 1 0 KEAFRO CC(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 ZINC000066073667 562709509 /nfs/dbraw/zinc/70/95/09/562709509.db2.gz CDOUUYCIEMHVDM-AMGAHSPLSA-N 1 0 619.873 2.431 1 0 KEAFRO CCOC(=O)[C@@H]1COc2cc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)ccc2O1 ZINC000066076235 562710098 /nfs/dbraw/zinc/71/00/98/562710098.db2.gz SOOMSOFJGXDQPT-QOFFVNHYSA-N 1 0 567.586 2.285 1 0 KEAFRO CCOC(=O)[C@H]1COc2cc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)ccc2O1 ZINC000066076238 562710090 /nfs/dbraw/zinc/71/00/90/562710090.db2.gz SOOMSOFJGXDQPT-XJDRPFMISA-N 1 0 567.586 2.285 1 0 KEAFRO CCOC(=O)[C@@H]1COc2cc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)ccc2O1 ZINC000066076242 562710094 /nfs/dbraw/zinc/71/00/94/562710094.db2.gz SOOMSOFJGXDQPT-LREARKGRSA-N 1 0 567.586 2.285 1 0 KEAFRO CCOC(=O)[C@H]1COc2cc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)ccc2O1 ZINC000066076245 562710086 /nfs/dbraw/zinc/71/00/86/562710086.db2.gz SOOMSOFJGXDQPT-PKHVTESESA-N 1 0 567.586 2.285 1 0 KEAFRO CCOC(=O)[C@@H]1Oc2ccc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)cc2O1 ZINC000066111965 562711886 /nfs/dbraw/zinc/71/18/86/562711886.db2.gz ATLYXUSEFJBBCU-GKLUMCFYSA-N 1 0 553.559 2.242 1 0 KEAFRO CCOC(=O)[C@H]1Oc2ccc(CNC(=O)[C@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)cc2O1 ZINC000066111966 562711918 /nfs/dbraw/zinc/71/19/18/562711918.db2.gz ATLYXUSEFJBBCU-OJJCTEDXSA-N 1 0 553.559 2.242 1 0 KEAFRO CCOC(=O)[C@@H]1Oc2ccc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)cc2O1 ZINC000066111967 562711963 /nfs/dbraw/zinc/71/19/63/562711963.db2.gz ATLYXUSEFJBBCU-AWKKRCEGSA-N 1 0 553.559 2.242 1 0 KEAFRO CCOC(=O)[C@H]1Oc2ccc(CNC(=O)[C@@H]3SCCN3C(=O)C[C@H]([NH3+])Cc3cc(F)c(F)cc3F)cc2O1 ZINC000066111968 562711960 /nfs/dbraw/zinc/71/19/60/562711960.db2.gz ATLYXUSEFJBBCU-JQRIVJTKSA-N 1 0 553.559 2.242 1 0 KEAFRO NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000066123805 562712578 /nfs/dbraw/zinc/71/25/78/562712578.db2.gz CKJLFFBHZULOJJ-MZBLVXSRSA-N 1 0 617.722 2.016 1 0 KEAFRO NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000066123808 562712598 /nfs/dbraw/zinc/71/25/98/562712598.db2.gz CKJLFFBHZULOJJ-QBHLCAJUSA-N 1 0 617.722 2.016 1 0 KEAFRO NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000066123971 562712635 /nfs/dbraw/zinc/71/26/35/562712635.db2.gz CKJLFFBHZULOJJ-KTBGKDHWSA-N 1 0 617.722 2.016 1 0 KEAFRO NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000066123972 562712611 /nfs/dbraw/zinc/71/26/11/562712611.db2.gz CKJLFFBHZULOJJ-NODASKEBSA-N 1 0 617.722 2.016 1 0 KEAFRO Cc1ccc2nnc(C(=O)NCCC[NH+](C)CCCNC(=O)c3nnc4ccc(C)cc4c3N)c(N)c2c1 ZINC000066251544 562714494 /nfs/dbraw/zinc/71/44/94/562714494.db2.gz YONILURZXCSMAM-UHFFFAOYSA-N 1 0 515.622 2.226 1 0 KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000067854208 562715629 /nfs/dbraw/zinc/71/56/29/562715629.db2.gz HLGLOFWWPYOSAE-YRCZKMHPSA-N 1 0 633.749 2.156 1 0 KEAFRO C[NH+](C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000068246373 562716154 /nfs/dbraw/zinc/71/61/54/562716154.db2.gz XCWUPAKUQSCUGQ-UHFFFAOYSA-N 1 0 518.569 2.152 1 0 KEAFRO CC[C@H](C)[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](O)c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000070454157 560048653 /nfs/dbraw/zinc/04/86/53/560048653.db2.gz STKZKAJIJHJDCQ-HPKJDOSXSA-N 1 0 552.716 2.442 1 0 biogenic,in-vitro KEAFRO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000070613823 562716361 /nfs/dbraw/zinc/71/63/61/562716361.db2.gz BQIQGKVCYJEMCK-QBCKSJLUSA-N 1 0 624.742 2.065 1 0 KEAFRO COCCCOc1cc(CN(C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC ZINC000070631612 562716486 /nfs/dbraw/zinc/71/64/86/562716486.db2.gz GKGIFKZUIBKKDS-HJOGWXRNSA-N 1 0 552.757 2.299 1 0 KEAFRO COc1cc(O)c2c(c1Br)C(=O)OCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000071280914 562716618 /nfs/dbraw/zinc/71/66/18/562716618.db2.gz XNUXGIXIFVQXIF-HOTGVXAUSA-N 1 0 614.519 2.318 1 0 KEAFRO C[NH+](C)CCOc1cc(Cl)c(Cc2ncc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000071281072 562716603 /nfs/dbraw/zinc/71/66/03/562716603.db2.gz WPBGKEJPWROTAL-MWFZDGHISA-N 1 0 525.023 2.103 1 0 KEAFRO CN(C)S(=O)(=O)c1ccc2cccc(N3CC[NH+](CCCCN4C(=O)[C@@H]5CCCN5C4=O)CC3)c2c1 ZINC000071281763 562716695 /nfs/dbraw/zinc/71/66/95/562716695.db2.gz UHMMBEZGUJTUOY-DEOSSOPVSA-N 1 0 513.664 2.419 1 0 KEAFRO CN(C)S(=O)(=O)c1ccc2cccc(N3CC[NH+](CCCCN4C(=O)[C@H]5CCCN5C4=O)CC3)c2c1 ZINC000071281766 562716782 /nfs/dbraw/zinc/71/67/82/562716782.db2.gz UHMMBEZGUJTUOY-XMMPIXPASA-N 1 0 513.664 2.419 1 0 KEAFRO CN(C)S(=O)(=O)c1ccc2c(cccc2N2CC[NH+](CCCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)c1 ZINC000071294505 562716957 /nfs/dbraw/zinc/71/69/57/562716957.db2.gz CHKGLXIERQOHSM-DEOSSOPVSA-N 1 0 513.664 2.419 1 0 KEAFRO CN(C)S(=O)(=O)c1ccc2c(cccc2N2CC[NH+](CCCCN3C(=O)[C@H]4CCCN4C3=O)CC2)c1 ZINC000071294506 562716911 /nfs/dbraw/zinc/71/69/11/562716911.db2.gz CHKGLXIERQOHSM-XMMPIXPASA-N 1 0 513.664 2.419 1 0 KEAFRO CC[N@H+](CCNC(=O)c1ccnc(F)c1)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000071294733 562716978 /nfs/dbraw/zinc/71/69/78/562716978.db2.gz FNOLXQKPMRMSLF-UHFFFAOYSA-N 1 0 536.349 2.250 1 0 KEAFRO CN(C)S(=O)(=O)c1cccc2c1cccc2N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000071295097 562717084 /nfs/dbraw/zinc/71/70/84/562717084.db2.gz CWMGGYJOBLVFFV-QHCPKHFHSA-N 1 0 513.664 2.419 1 0 KEAFRO CN(C)S(=O)(=O)c1cccc2c1cccc2N1CC[NH+](CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000071295098 562717087 /nfs/dbraw/zinc/71/70/87/562717087.db2.gz CWMGGYJOBLVFFV-HSZRJFAPSA-N 1 0 513.664 2.419 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 ZINC000071296114 562717456 /nfs/dbraw/zinc/71/74/56/562717456.db2.gz YLVNAYQFRWZYPH-FOUBCARRSA-N 1 0 500.566 2.127 1 0 KEAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071316291 562717905 /nfs/dbraw/zinc/71/79/05/562717905.db2.gz GHARCVPTJMBSSW-FIPFOOKPSA-N 1 0 571.748 2.269 1 0 KEAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NC(=O)[C@@H]4CCC[NH2+]4)ccc3OC(F)(F)F)ncc1CC2 ZINC000071316469 562717953 /nfs/dbraw/zinc/71/79/53/562717953.db2.gz YRUKXDLUMKDTLG-AWEZNQCLSA-N 1 0 516.484 2.407 1 0 KEAFRO Cc1cccc(C)c1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071317399 562718186 /nfs/dbraw/zinc/71/81/86/562718186.db2.gz PFGJICLHMSNKCO-QFQXNSOFSA-N 1 0 514.696 2.185 1 0 KEAFRO Nc1ncnc(N2CC[C@]3(C2)CCC[N@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2Cl)C3)c1C1CC1 ZINC000071318168 562718431 /nfs/dbraw/zinc/71/84/31/562718431.db2.gz DPDNOIBTWOGNOR-HOYKHHGWSA-N 1 0 521.087 2.221 1 0 KEAFRO Nc1ncnc(N2CC[C@]3(C2)CCC[N@H+](C[C@H](O)CNS(=O)(=O)c2ccccc2Br)C3)c1C1CC1 ZINC000071318537 562718552 /nfs/dbraw/zinc/71/85/52/562718552.db2.gz OMRQMUWXHMJUBD-HOYKHHGWSA-N 1 0 565.538 2.330 1 0 KEAFRO Cc1ccc(S(=O)(=O)NC[C@@H](O)C[N@@H+]2CCC[C@@]3(CCN(c4ncnc(N)c4C4CC4)C3)C2)c(C)c1 ZINC000071319232 562718722 /nfs/dbraw/zinc/71/87/22/562718722.db2.gz ZSHIEONBZRBQOM-QFQXNSOFSA-N 1 0 514.696 2.185 1 0 KEAFRO Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071329626 562718905 /nfs/dbraw/zinc/71/89/05/562718905.db2.gz HEZMJSCHVVUMNQ-CJFMBICVSA-N 1 0 518.659 2.015 1 0 KEAFRO O=C(C[NH2+][C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000071329963 562719029 /nfs/dbraw/zinc/71/90/29/562719029.db2.gz SULNHAJOCFSJSO-FQEVSTJZSA-N 1 0 509.047 2.317 1 0 KEAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000071330968 562719206 /nfs/dbraw/zinc/71/92/06/562719206.db2.gz AZWFENCKMNSKBH-DHLKQENFSA-N 1 0 523.652 2.245 1 0 KEAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCN2CC[NH+](C)CC2)c(C)c1C ZINC000071332757 562719424 /nfs/dbraw/zinc/71/94/24/562719424.db2.gz OQXDJAIBJBOXEG-DEOSSOPVSA-N 1 0 516.708 2.264 1 0 KEAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C[NH2+][C@H](C(=O)NC(C)(C)C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000071334001 562719522 /nfs/dbraw/zinc/71/95/22/562719522.db2.gz BNIUZKCNOAMGRO-GYUKIKGESA-N 1 0 603.786 2.259 1 0 KEAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C4CC4)ccc32)cc1 ZINC000071340642 562719814 /nfs/dbraw/zinc/71/98/14/562719814.db2.gz TVFZRPAHOHVFGZ-JWQCQUIFSA-N 1 0 510.660 2.320 1 0 KEAFRO CN(C)C(=O)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)C[NH+]2CCCC2)cn1 ZINC000071418535 562720225 /nfs/dbraw/zinc/72/02/25/562720225.db2.gz OKDPJGFVONTIBH-FQEVSTJZSA-N 1 0 504.582 2.137 1 0 KEAFRO NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O ZINC000072111994 562721968 /nfs/dbraw/zinc/72/19/68/562721968.db2.gz QAZBDWYHBQVJGR-MHZLTWQESA-N 1 0 570.687 2.361 1 0 KEAFRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116649 562723153 /nfs/dbraw/zinc/72/31/53/562723153.db2.gz GMHKZIMGAIGPKD-PFBJBMPXSA-N 1 0 580.693 2.035 1 0 KEAFRO [NH3+][C@@H](Cc1ccc(Cl)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116828 562723243 /nfs/dbraw/zinc/72/32/43/562723243.db2.gz QJKCHHJCLJVHPV-CYXNTTPDSA-N 1 0 576.101 2.207 1 0 KEAFRO C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072117078 562723338 /nfs/dbraw/zinc/72/33/38/562723338.db2.gz OIXPLROAUZHIOG-NTUVXCKYSA-N 1 0 514.630 2.089 1 0 KEAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]cn2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072119953 562723899 /nfs/dbraw/zinc/72/38/99/562723899.db2.gz UHVQXPLXVUMDCZ-PFBJBMPXSA-N 1 0 580.693 2.035 1 0 KEAFRO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000072122189 562724545 /nfs/dbraw/zinc/72/45/45/562724545.db2.gz BPJCJUKBCVJDAN-CPCREDONSA-N 1 0 725.822 2.194 1 0 KEAFRO C[C@@H](c1ccccc1)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000072123679 562724810 /nfs/dbraw/zinc/72/48/10/562724810.db2.gz QUHPFWVYCKCMPQ-OOPVPMMOSA-N 1 0 613.759 2.438 1 0 KEAFRO C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000072123680 562724840 /nfs/dbraw/zinc/72/48/40/562724840.db2.gz QUHPFWVYCKCMPQ-HHOYWZPISA-N 1 0 613.759 2.438 1 0 KEAFRO 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C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O[C@@H]5O[C@@H]6[C@H](O)C[NH2+][C@@H]6[C@H]5O)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000072138035 562728557 /nfs/dbraw/zinc/72/85/57/562728557.db2.gz XASLQSYMMIENHD-RYGQLWIMSA-N 1 0 517.663 2.047 1 0 KEAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O[C@@H]5O[C@@H]6[C@H](O)C[NH2+][C@@H]6[C@H]5O)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000072138036 562728558 /nfs/dbraw/zinc/72/85/58/562728558.db2.gz XASLQSYMMIENHD-QMIUVQOLSA-N 1 0 517.663 2.047 1 0 KEAFRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O[C@@H]5O[C@@H]6[C@H](O)C[NH2+][C@@H]6[C@H]5O)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000072138037 562728560 /nfs/dbraw/zinc/72/85/60/562728560.db2.gz XASLQSYMMIENHD-ZUGPWMEJSA-N 1 0 517.663 2.047 1 0 KEAFRO COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072142907 562729649 /nfs/dbraw/zinc/72/96/49/562729649.db2.gz BFSNADDVVFYGDC-SFTDATJTSA-N 1 0 538.634 2.302 1 0 KEAFRO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000072148924 562729990 /nfs/dbraw/zinc/72/99/90/562729990.db2.gz VSIRCTIEPXLILK-KRCBVYEFSA-N 1 0 719.888 2.095 1 0 KEAFRO CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC1=O ZINC000072170381 562730319 /nfs/dbraw/zinc/73/03/19/562730319.db2.gz GSQUSZISHTYONW-OFEGBEERSA-N 1 0 648.849 2.083 1 0 KEAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000072170611 562730366 /nfs/dbraw/zinc/73/03/66/562730366.db2.gz QFEWDYKEKVVRHZ-QVKHUSFCSA-N 1 0 656.773 2.011 1 0 KEAFRO CC[N@@H+]1C[C@]2(COC(=O)c3ccccc3NC(C)=O)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@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000072170685 562730342 /nfs/dbraw/zinc/73/03/42/562730342.db2.gz NUXFDCYXMLVOFU-AYBRVATOSA-N 1 0 628.763 2.094 1 0 KEAFRO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)Cc1ccccc1 ZINC000072173041 562730724 /nfs/dbraw/zinc/73/07/24/562730724.db2.gz OSYXVMUOUMTPLO-DTXPUJKBSA-N 1 0 598.748 2.411 1 0 KEAFRO C[NH2+]CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC)nc(N4CCOCC4)n3)cc2)cc1 ZINC000072177316 562731768 /nfs/dbraw/zinc/73/17/68/562731768.db2.gz BSEOICSDTQOYIW-UHFFFAOYSA-N 1 0 520.594 2.319 1 0 KEAFRO COc1cc(OC[C@H](O)C[NH2+]Cc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O ZINC000072177554 562731825 /nfs/dbraw/zinc/73/18/25/562731825.db2.gz HNUMFCHSYKLDJH-DSTVDIHJSA-N 1 0 537.565 2.466 1 0 KEAFRO COc1cc(OC[C@@H](O)C[NH2+]Cc2ccccc2)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O ZINC000072177555 562731820 /nfs/dbraw/zinc/73/18/20/562731820.db2.gz HNUMFCHSYKLDJH-REWSHJEUSA-N 1 0 537.565 2.466 1 0 KEAFRO COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072177623 562731823 /nfs/dbraw/zinc/73/18/23/562731823.db2.gz MPVZERIWUAYICQ-UHFFFAOYSA-N 1 0 520.594 2.319 1 0 KEAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 ZINC000072177789 562731900 /nfs/dbraw/zinc/73/19/00/562731900.db2.gz QCYSAIXMCYDYCJ-FMYROPPKSA-N 1 0 567.646 2.467 1 0 KEAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCS(=O)(=O)CCC[NH2+]CCc1cccc(Cl)c1)ccc2[O-] ZINC000072177797 562731885 /nfs/dbraw/zinc/73/18/85/562731885.db2.gz HMSZGAMZVAVPLW-IBGZPJMESA-N 1 0 514.069 2.209 1 0 KEAFRO NC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072177850 562731902 /nfs/dbraw/zinc/73/19/02/562731902.db2.gz HUBWMOUDDYNERF-FMYROPPKSA-N 1 0 594.672 2.350 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072177863 562731932 /nfs/dbraw/zinc/73/19/32/562731932.db2.gz ODAGEWXXQNKGPN-ZWXJPIIXSA-N 1 0 731.876 2.327 1 0 KEAFRO Cc1ccc(C)c(N2CCN(C(=O)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)NCc3ccc(C(N)=[NH2+])cc3)CC2)c1 ZINC000072178151 562731956 /nfs/dbraw/zinc/73/19/56/562731956.db2.gz WUUKQSZMHJKYPC-JSOSNVBQSA-N 1 0 687.867 2.422 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072178453 562732081 /nfs/dbraw/zinc/73/20/81/562732081.db2.gz VAMQUIIDPUWWSK-FTJBHMTQSA-N 1 0 547.681 2.309 1 0 in-vitro KEAFRO CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072178669 562732114 /nfs/dbraw/zinc/73/21/14/562732114.db2.gz SNQBIXDKXMCXGQ-RPWUZVMVSA-N 1 0 585.727 2.188 1 0 KEAFRO CC(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072179565 562732340 /nfs/dbraw/zinc/73/23/40/562732340.db2.gz DQTHQWDHVZBQHX-PKTZIBPZSA-N 1 0 513.664 2.112 1 0 in-vitro KEAFRO CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)[C@@H]3C2)c1 ZINC000072318546 562733290 /nfs/dbraw/zinc/73/32/90/562733290.db2.gz USIYDIOPKBFAMU-LBUQITIBSA-N 1 0 509.550 2.140 1 0 KEAFRO CC[C@H]1CN(c2ncc(C(N)=O)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073159605 562733980 /nfs/dbraw/zinc/73/39/80/562733980.db2.gz XKWUNFUNQBEBRO-ZDUSSCGKSA-N 1 0 507.426 2.065 1 0 KEAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)C[NH2+]2)C1=O ZINC000073161012 562734090 /nfs/dbraw/zinc/73/40/90/562734090.db2.gz LAMCTYMUFVYFER-JYFGQWJXSA-N 1 0 614.734 2.231 1 0 KEAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)C[NH2+]2)C1=O ZINC000073163561 562734217 /nfs/dbraw/zinc/73/42/17/562734217.db2.gz LAMCTYMUFVYFER-LKXUBEQSSA-N 1 0 614.734 2.231 1 0 KEAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)C[NH2+]2)C1=O ZINC000073163565 562734240 /nfs/dbraw/zinc/73/42/40/562734240.db2.gz LAMCTYMUFVYFER-JHZZEQPASA-N 1 0 614.734 2.231 1 0 KEAFRO COC[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 ZINC000073164262 562734271 /nfs/dbraw/zinc/73/42/71/562734271.db2.gz AAAGFCUDAXPDAA-CIQZPUONSA-N 1 0 519.589 2.035 1 0 KEAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)C[NH2+]2)C1=O ZINC000073164890 562734330 /nfs/dbraw/zinc/73/43/30/562734330.db2.gz XOYZPRDIMSHLPA-LKXUBEQSSA-N 1 0 613.750 2.197 1 0 KEAFRO CC[C@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](N)C[NH2+]2)C1=O ZINC000073164895 562734394 /nfs/dbraw/zinc/73/43/94/562734394.db2.gz XOYZPRDIMSHLPA-JHZZEQPASA-N 1 0 613.750 2.197 1 0 KEAFRO CC[C@@H](C)[C@@]1(NC(C)=O)CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](N)C[NH2+]2)C1=O ZINC000073164899 562734400 /nfs/dbraw/zinc/73/44/00/562734400.db2.gz XOYZPRDIMSHLPA-MDTHDYQLSA-N 1 0 613.750 2.197 1 0 KEAFRO 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ZINC000084634408 562745901 /nfs/dbraw/zinc/74/59/01/562745901.db2.gz BDVKFAZNLOFFRM-COPCDDAFSA-N 1 0 600.765 2.178 1 0 KEAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3cnc(=O)[nH]c3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084669356 562747922 /nfs/dbraw/zinc/74/79/22/562747922.db2.gz YIDRPJAESDFDSG-UHFFFAOYSA-N 1 0 538.568 2.232 1 0 KEAFRO [NH2+]=C/C(=C(/OC1CCCC1)C(=O)Nc1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000084671057 562748453 /nfs/dbraw/zinc/74/84/53/562748453.db2.gz TZVVWCLNJSUIIN-NFPNLUPESA-N 1 0 526.059 2.293 1 0 KEAFRO 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)c1ccc2c(c1)/C(=C\NCC[NH+](C)C)C(=O)N2 ZINC000084687574 562748928 /nfs/dbraw/zinc/74/89/28/562748928.db2.gz KNIGEUREMJCUQT-PFSZDZEJSA-N 1 0 685.844 2.237 1 0 KEAFRO CC(=O)N1CCC(C(=O)Nc2cc(Nc3cnccn3)nc(-c3ccnc(N4CC[NH2+]CC4)c3)c2)CC1 ZINC000084704964 562749833 /nfs/dbraw/zinc/74/98/33/562749833.db2.gz HQEIASUFWZAWFB-UHFFFAOYSA-N 1 0 501.595 2.284 1 0 KEAFRO 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CN(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000084730207 562751632 /nfs/dbraw/zinc/75/16/32/562751632.db2.gz PVJPHTHOJCLEHM-UHFFFAOYSA-N 1 0 512.554 2.351 1 0 KEAFRO CN(Cc1ccc(C2=[NH+]CCN2)cc1)C(=O)COCCN(C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000084732193 562751792 /nfs/dbraw/zinc/75/17/92/562751792.db2.gz IHNMIXOGESYUNF-UHFFFAOYSA-N 1 0 528.553 2.231 1 0 KEAFRO Cc1c(Cl)ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c1Cl ZINC000084740628 562752079 /nfs/dbraw/zinc/75/20/79/562752079.db2.gz PLHOBTDKXXTKQI-UHFFFAOYSA-N 1 0 540.473 2.047 1 0 KEAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COCCCCCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084758397 562752604 /nfs/dbraw/zinc/75/26/04/562752604.db2.gz ODVXZEJXZBETHN-RRPNLBNLSA-N 1 0 574.744 2.385 1 0 KEAFRO CC(C)c1cccc(C[NH2+]C[C@@H](O)[C@@H]2COC/C=C/CCNC(=O)c3cc(cc(N(C)S(C)(=O)=O)c3)C(=O)N2)c1 ZINC000084759552 562752977 /nfs/dbraw/zinc/75/29/77/562752977.db2.gz MEKPYLBTTKGXAX-VDGLFCQGSA-N 1 0 572.728 2.161 1 0 KEAFRO CN(c1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]Cc1cccc(C(C)(C)C)c1)COC/C=C/CCNC2=O)S(C)(=O)=O ZINC000084759553 562752984 /nfs/dbraw/zinc/75/29/84/562752984.db2.gz MIJJZFPWMIQONO-OTQKIKBLSA-N 1 0 586.755 2.335 1 0 KEAFRO C[NH2+]C[C@]1(C(=O)[O-])O[C@@H](Oc2cc3c(c(-c4cccc(O)c4)c2)[C@@H]2Oc4c5c(cc(OC)c4OC)[C@H]([NH2+]C)CCC[C@H](O3)[C@@H]52)[C@H](O)[C@@H](O)[C@@H]1O ZINC000085488434 291742649 /nfs/dbraw/zinc/74/26/49/291742649.db2.gz GXHCZBBVSWLUOU-BHZOBNBQSA-N 1 0 694.734 2.360 1 0 biogenic,in-vitro KEAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](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 ZINC000085540389 560072403 /nfs/dbraw/zinc/07/24/03/560072403.db2.gz ONNIMFBTDSHYJD-WIAIILOYSA-N 1 0 599.721 2.248 1 0 biogenic,in-vitro KEAFRO C[NH2+]C[C@H](C[C@H](O)[C@H]1O[C@H](Oc2cc(OC)cc3cc(C)c(C(C)=O)c(O)c32)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 ZINC000085592546 560065672 /nfs/dbraw/zinc/06/56/72/560065672.db2.gz AZEGRSWDNLOUTM-DRANVXIQSA-N 1 0 555.624 2.006 1 0 biogenic,in-vitro KEAFRO C/C=C(\CCO)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2CC(C[NH2+]C)C2)Cc2cc3cc(CCCO)c(=O)oc3cc2O1 ZINC000085594621 565151818 /nfs/dbraw/zinc/15/18/18/565151818.db2.gz GBEGGMDNTMJOBE-JKLJIXICSA-N 1 0 662.784 2.482 1 0 biogenic,in-vitro KEAFRO CC[NH2+]C[C@@H]1C[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)[C@H]1[C@H](CCc1ccc(O)c(OC)c1)OCO ZINC000085595657 560063736 /nfs/dbraw/zinc/06/37/36/560063736.db2.gz JCTCQSAUOPHXFV-AGQLCJKSSA-N 1 0 549.661 2.218 1 0 biogenic,in-vitro KEAFRO CC[NH2+]CCOc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O ZINC000085596641 560063303 /nfs/dbraw/zinc/06/33/03/560063303.db2.gz UVPJCFYNQRUSHP-NIXUUHDVSA-N 1 0 521.607 2.246 1 0 biogenic,in-vitro KEAFRO COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC[NH2+]C[C@H](C)O)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O ZINC000085596661 291745439 /nfs/dbraw/zinc/74/54/39/291745439.db2.gz AIFBIVNFPWRHHA-MSQUIRKBSA-N 1 0 521.607 2.244 1 0 biogenic,in-vitro KEAFRO CNCC(=O)O[C@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596789 560063240 /nfs/dbraw/zinc/06/32/40/560063240.db2.gz UNBXNQXCPOINBW-FDBNHUNCSA-N 1 0 552.709 2.316 1 0 biogenic,in-vitro KEAFRO C[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000089469826 562753631 /nfs/dbraw/zinc/75/36/31/562753631.db2.gz SXZVJXPNQRTMDB-GECPAALWSA-N 1 0 511.627 2.074 1 0 KEAFRO C[N@H+](CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000089469830 562753637 /nfs/dbraw/zinc/75/36/37/562753637.db2.gz SXZVJXPNQRTMDB-FBHSLPMESA-N 1 0 511.627 2.074 1 0 KEAFRO CC(C)C/C(=C\[C@H](O)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 ZINC000095535642 562753716 /nfs/dbraw/zinc/75/37/16/562753716.db2.gz ZDPCJJXVDVOFRD-BZRAAQBKSA-N 1 0 797.933 2.059 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cc[nH]c1)NC(=O)CCCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095536681 562754022 /nfs/dbraw/zinc/75/40/22/562754022.db2.gz JYATZOPCEQVXLS-TWHRXLCVSA-N 1 0 788.954 2.412 1 0 KEAFRO 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](CCC[NH3+])NC(=O)[C@H]2CCC=NN2C1=O ZINC000095542179 562756547 /nfs/dbraw/zinc/75/65/47/562756547.db2.gz VIFMQSHLKCQLIU-HEESVJHSSA-N 1 0 781.959 2.001 1 0 KEAFRO CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCC[NH3+])C1=O)C(N)=O ZINC000095542229 562756585 /nfs/dbraw/zinc/75/65/85/562756585.db2.gz ZYISADSNQUGMEQ-DKSOTBSCSA-N 1 0 778.033 2.302 1 0 KEAFRO CC(C)C[C@H](C[C@@H](O)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 ZINC000095542974 562756976 /nfs/dbraw/zinc/75/69/76/562756976.db2.gz GCPYOJSLSJRNKG-YNJWEERUSA-N 1 0 799.949 2.138 1 0 KEAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](C[NH+](C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O ZINC000095543545 562757300 /nfs/dbraw/zinc/75/73/00/562757300.db2.gz XZXMFHPEUMXKID-MZNYQVFTSA-N 1 0 795.986 2.060 1 0 KEAFRO Cc1nccc2sc(-c3c(C)nc(NCC[NH+](C)C)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21 ZINC000095557514 562762152 /nfs/dbraw/zinc/76/21/52/562762152.db2.gz UAJNXFZQIUBTOV-BWMZKYQQSA-N 1 0 501.657 2.032 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)c1[nH]c2ccccc2c1-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095557891 562762272 /nfs/dbraw/zinc/76/22/72/562762272.db2.gz CETAKVIMFQKCOZ-ZEQRLZLVSA-N 1 0 539.640 2.409 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095557993 562762281 /nfs/dbraw/zinc/76/22/81/562762281.db2.gz UVEAKBXMJDTXDL-ORYMTKCHSA-N 1 0 798.267 2.489 1 0 KEAFRO CNS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1 ZINC000095558134 562762375 /nfs/dbraw/zinc/76/23/75/562762375.db2.gz AMEQLQYPRVOFMB-OAHLLOKOSA-N 1 0 583.494 2.377 1 0 KEAFRO CC(C)C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)C(=O)N(C)C ZINC000095558442 562762443 /nfs/dbraw/zinc/76/24/43/562762443.db2.gz DYUXTUMLAFJFSB-QKNQBKEWSA-N 1 0 506.091 2.364 1 0 KEAFRO CC(C)CNC(=O)[C@@](O)(C[NH3+])C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095561261 562763348 /nfs/dbraw/zinc/76/33/48/562763348.db2.gz LWGNWBAQJGRCGM-HQAVLPSESA-N 1 0 713.921 2.241 1 0 KEAFRO CC1(O)CN(S(=O)(=O)c2ccc3c(C(=O)NC[C@@H](O)C[NH+]4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)c[nH]c(=O)c3c2)C1 ZINC000095562162 562763593 /nfs/dbraw/zinc/76/35/93/562763593.db2.gz QQODNMGQNZBOAF-QGZVFWFLSA-N 1 0 639.558 2.224 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095563227 562763924 /nfs/dbraw/zinc/76/39/24/562763924.db2.gz XJRNNYIMDHMBRM-UIOOFZCWSA-N 1 0 528.657 2.169 1 0 KEAFRO NS(=O)(=O)c1ccc2c(C(=O)NC[C@@H](O)C[NH+]3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)c[nH]c(=O)c2c1 ZINC000095563259 562763917 /nfs/dbraw/zinc/76/39/17/562763917.db2.gz MUPZZNZQFUCJBT-CQSZACIVSA-N 1 0 569.467 2.116 1 0 KEAFRO 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)CC2 ZINC000095573383 562769684 /nfs/dbraw/zinc/76/96/84/562769684.db2.gz PQSORGYMZCKRDU-QLADTWODSA-N 1 0 597.782 2.436 1 0 KEAFRO COC(=O)/C=C/C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000095575248 562770246 /nfs/dbraw/zinc/77/02/46/562770246.db2.gz HGWDEKWYGAVQDF-XMSMROCOSA-N 1 0 508.615 2.462 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581977 562772349 /nfs/dbraw/zinc/77/23/49/562772349.db2.gz DQAFMWNUWPQTCF-HCFKQQSISA-N 1 0 765.360 2.470 1 0 KEAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095582061 562772407 /nfs/dbraw/zinc/77/24/07/562772407.db2.gz VOPWCDJBVPMVLJ-FQEVSTJZSA-N 1 0 563.613 2.203 1 0 KEAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095582275 562772506 /nfs/dbraw/zinc/77/25/06/562772506.db2.gz QGQJNXQVPVENJB-LPHOPBHVSA-N 1 0 529.596 2.007 1 0 KEAFRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000095582405 562772534 /nfs/dbraw/zinc/77/25/34/562772534.db2.gz VOPWCDJBVPMVLJ-HXUWFJFHSA-N 1 0 563.613 2.203 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095585144 562773473 /nfs/dbraw/zinc/77/34/73/562773473.db2.gz FUYYIIPPKOFYIZ-HCFKQQSISA-N 1 0 765.360 2.470 1 0 KEAFRO COc1ccc(-c2ccc3c(n2)nc(N2C[C@@H](C)O[C@@H](C)C2)nc3N2CCOCC2)cc1C[NH2+]CCO ZINC000095587373 562774302 /nfs/dbraw/zinc/77/43/02/562774302.db2.gz LMXFTHGDSOBFJQ-KDURUIRLSA-N 1 0 508.623 2.233 1 0 KEAFRO CC(C)(C)OC(=O)CNc1nc(Cl)c2n(c1=O)[C@H](C(=O)NCc1ccc(C(N)=[NH2+])cc1)CC2(C)C ZINC000095588359 562774666 /nfs/dbraw/zinc/77/46/66/562774666.db2.gz HCONWOFFAXZHQA-HNNXBMFYSA-N 1 0 503.003 2.473 1 0 KEAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1 ZINC000095593239 562776142 /nfs/dbraw/zinc/77/61/42/562776142.db2.gz IXDGXZUXUMFSFB-JFJSIVICSA-N 1 0 597.654 2.465 1 0 KEAFRO C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C ZINC000095595445 562776704 /nfs/dbraw/zinc/77/67/04/562776704.db2.gz YTOPOMUWWWKQQR-QZVHGAHDSA-N 1 0 822.005 2.330 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095595729 562776782 /nfs/dbraw/zinc/77/67/82/562776782.db2.gz WXBDMKBDBHWTKT-DIAZAAMBSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095595730 562776801 /nfs/dbraw/zinc/77/68/01/562776801.db2.gz WXBDMKBDBHWTKT-BUMSYXKHSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095595731 562776797 /nfs/dbraw/zinc/77/67/97/562776797.db2.gz WXBDMKBDBHWTKT-DFVNZPKSSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095595732 562776792 /nfs/dbraw/zinc/77/67/92/562776792.db2.gz WXBDMKBDBHWTKT-JTTZHTLXSA-N 1 0 510.557 2.039 1 0 KEAFRO C[C@@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(N)=[NH2+])cc3)NC(=O)[C@H](NS(=O)(=O)Cc3ccccc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C ZINC000095595948 562776864 /nfs/dbraw/zinc/77/68/64/562776864.db2.gz YTOPOMUWWWKQQR-MCKYZGRYSA-N 1 0 822.005 2.330 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095597112 562777135 /nfs/dbraw/zinc/77/71/35/562777135.db2.gz WXBDMKBDBHWTKT-BFYCPEIZSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095597113 562777150 /nfs/dbraw/zinc/77/71/50/562777150.db2.gz WXBDMKBDBHWTKT-FYINCTCTSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095597114 562777146 /nfs/dbraw/zinc/77/71/46/562777146.db2.gz WXBDMKBDBHWTKT-VIRLEWFGSA-N 1 0 510.557 2.039 1 0 KEAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000095597115 562777181 /nfs/dbraw/zinc/77/71/81/562777181.db2.gz WXBDMKBDBHWTKT-LPGVRANBSA-N 1 0 510.557 2.039 1 0 KEAFRO CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)[NH2+]C)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)C[N@@H+]2C1 ZINC000095597784 562777297 /nfs/dbraw/zinc/77/72/97/562777297.db2.gz WQLHYSFOEZZZDD-QAPMSZJWSA-N 1 0 605.727 2.235 1 0 in-vitro KEAFRO COc1ccc(C[N@H+](C)C[C@H]2Oc3ccc(NS(C)(=O)=O)cc3CC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095599468 562778117 /nfs/dbraw/zinc/77/81/17/562778117.db2.gz LGLVDFRSUGWNCV-HHJKRLRDSA-N 1 0 519.664 2.348 1 0 KEAFRO COc1ccc(C[N@H+](C)C[C@@H]2Oc3ccc(NS(C)(=O)=O)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600831 562779263 /nfs/dbraw/zinc/77/92/63/562779263.db2.gz LGLVDFRSUGWNCV-RRQZXNHTSA-N 1 0 519.664 2.348 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095606547 562782179 /nfs/dbraw/zinc/78/21/79/562782179.db2.gz HRTASKSWYMGUEF-BBACVFHCSA-N 1 0 793.329 2.246 1 0 KEAFRO CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCO2)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000095606760 562782373 /nfs/dbraw/zinc/78/23/73/562782373.db2.gz FWXBYELHCSKTKY-ZOSXANDASA-N 1 0 760.933 2.062 1 0 KEAFRO CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)Cc1cccc(c1)OCCO2)C(=O)C(=O)NCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000095606761 562782398 /nfs/dbraw/zinc/78/23/98/562782398.db2.gz FWXBYELHCSKTKY-HZRSSZDUSA-N 1 0 760.933 2.062 1 0 KEAFRO 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](CCC[NH3+])NC(=O)[C@H]2CCCCN2C1=O ZINC000095609850 562784024 /nfs/dbraw/zinc/78/40/24/562784024.db2.gz MGPMLSLXFSGRGR-GKGFYVCZSA-N 1 0 782.987 2.405 1 0 KEAFRO CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(N)=O)N1CC[C@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095609948 562784101 /nfs/dbraw/zinc/78/41/01/562784101.db2.gz UZYFRMMSHBNUOU-DGELEZSGSA-N 1 0 779.983 2.401 1 0 KEAFRO CC(C)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(N)=O)N1CC[C@@]2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[NH3+])C1=O ZINC000095609949 562784080 /nfs/dbraw/zinc/78/40/80/562784080.db2.gz UZYFRMMSHBNUOU-JARCDCFWSA-N 1 0 779.983 2.401 1 0 KEAFRO CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@@H](CCCC[NH2+]C(C)C)C(=O)N1CCC[C@H]1C(N)=O ZINC000095610522 562784443 /nfs/dbraw/zinc/78/44/43/562784443.db2.gz ZZHSSSNJFPKENQ-ZYADHFCISA-N 1 0 756.949 2.497 1 0 KEAFRO CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)N[C@H](CCCC[NH2+]C(C)C)C(=O)N1CCC[C@H]1C(N)=O ZINC000095610523 562784442 /nfs/dbraw/zinc/78/44/42/562784442.db2.gz ZZHSSSNJFPKENQ-WLPVSNDTSA-N 1 0 756.949 2.497 1 0 KEAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCNC(=O)[C@H](CC(c2ccccc2)c2ccccc2)NC(=O)C1=O ZINC000095610631 562784504 /nfs/dbraw/zinc/78/45/04/562784504.db2.gz GZZNFOSOLRYGJI-FRMAJCGESA-N 1 0 778.955 2.419 1 0 KEAFRO 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(N)=O ZINC000095610881 562784665 /nfs/dbraw/zinc/78/46/65/562784665.db2.gz OAMALLOMXOTFMA-KNMVEEHSSA-N 1 0 773.976 2.113 1 0 KEAFRO 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(N)=O ZINC000095610883 562784684 /nfs/dbraw/zinc/78/46/84/562784684.db2.gz OAMALLOMXOTFMA-IWKGAPSESA-N 1 0 773.976 2.113 1 0 KEAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]2CCCCN2C1=O ZINC000095611281 562784965 /nfs/dbraw/zinc/78/49/65/562784965.db2.gz IXSANGWVTZFLAC-UBLJBVQWSA-N 1 0 757.977 2.314 1 0 KEAFRO CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095611285 562784953 /nfs/dbraw/zinc/78/49/53/562784953.db2.gz DLACRDONFBNRSP-DTPYUKTHSA-N 1 0 749.810 2.264 1 0 KEAFRO CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095611286 562784961 /nfs/dbraw/zinc/78/49/61/562784961.db2.gz DLACRDONFBNRSP-HQOLVWAGSA-N 1 0 749.810 2.264 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612281 562785370 /nfs/dbraw/zinc/78/53/70/562785370.db2.gz GQEMLAVOVURURZ-BBACVFHCSA-N 1 0 793.329 2.246 1 0 KEAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000095612393 562785464 /nfs/dbraw/zinc/78/54/64/562785464.db2.gz MEGNDEDUOKKAPH-BBACVFHCSA-N 1 0 793.329 2.246 1 0 KEAFRO CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095612521 562785581 /nfs/dbraw/zinc/78/55/81/562785581.db2.gz DLACRDONFBNRSP-QYNRPKQOSA-N 1 0 749.810 2.264 1 0 KEAFRO CC(=O)OC1=C2C(C)[C@@H](OC(=O)[C@@H](O)[C@@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095612522 562785573 /nfs/dbraw/zinc/78/55/73/562785573.db2.gz DLACRDONFBNRSP-PMYJTZCOSA-N 1 0 749.810 2.264 1 0 KEAFRO [NH3+]CCC[C@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000095613219 562786152 /nfs/dbraw/zinc/78/61/52/562786152.db2.gz PSJFMGPGTJQNPG-UGFXGUEUSA-N 1 0 764.884 2.355 1 0 KEAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CC3)(C(=O)NC(C)(C)C)CC2)C1 ZINC000095613302 562786227 /nfs/dbraw/zinc/78/62/27/562786227.db2.gz HEJQNESOIJVHRX-BJKOFHAPSA-N 1 0 529.701 2.080 1 0 KEAFRO CC(C)C/C(=C\[C@@H](O)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 ZINC000095614974 562786986 /nfs/dbraw/zinc/78/69/86/562786986.db2.gz ZDPCJJXVDVOFRD-MZNXXXKPSA-N 1 0 797.933 2.059 1 0 KEAFRO CC(C)C[C@@H](C[C@H](O)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 ZINC000095615122 562787096 /nfs/dbraw/zinc/78/70/96/562787096.db2.gz GCPYOJSLSJRNKG-ZDWAKIIJSA-N 1 0 799.949 2.138 1 0 KEAFRO CC(C)C[C@@H](C[C@@H](O)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 ZINC000095615539 562787361 /nfs/dbraw/zinc/78/73/61/562787361.db2.gz GCPYOJSLSJRNKG-AOPVIXITSA-N 1 0 799.949 2.138 1 0 KEAFRO COc1ccc(S(=O)(=O)N2CCC3(CC2)CN(C(=O)C[NH+](C)C)[C@@H](CO)c2c3c3ccc(OC)cc3n2C)cc1 ZINC000095868635 562789903 /nfs/dbraw/zinc/78/99/03/562789903.db2.gz TWTUWFOXZJLCEE-VWLOTQADSA-N 1 0 570.712 2.355 1 0 KEAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cccc(C(N)=[NH2+])c3)n(C)c2)n(C)c1 ZINC000095889981 562790185 /nfs/dbraw/zinc/79/01/85/562790185.db2.gz DJVUYWSKSFZJEP-UHFFFAOYSA-N 1 0 529.561 2.311 1 0 KEAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccccc3C(N)=[NH2+])n(C)c2)n(C)c1 ZINC000095889982 562790195 /nfs/dbraw/zinc/79/01/95/562790195.db2.gz XJOIRWKODKULKG-UHFFFAOYSA-N 1 0 529.561 2.311 1 0 KEAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](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 ZINC000095910341 291734376 /nfs/dbraw/zinc/73/43/76/291734376.db2.gz ONNIMFBTDSHYJD-SZNYQVOFSA-N 1 0 599.721 2.248 1 0 biogenic,in-vitro KEAFRO CC[N@@H+]1C[C@]2(OC(=O)c3ccccc3NC(C)=O)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@@](O)(C[C@@H]32)[C@@H]14 ZINC000095912442 560057141 /nfs/dbraw/zinc/05/71/41/560057141.db2.gz VUTCZQISWNZQOW-ZYYSWALGSA-N 1 0 584.710 2.222 1 0 biogenic,in-vitro KEAFRO CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@@H](C(C)C)Oc2ccc(cc2)[C@H](O)CNC1=O ZINC000095915035 560055215 /nfs/dbraw/zinc/05/52/15/560055215.db2.gz HEBPXDNWUOXIPK-YTZCDUBRSA-N 1 0 552.716 2.442 1 0 biogenic,in-vitro KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O ZINC000096167453 562790469 /nfs/dbraw/zinc/79/04/69/562790469.db2.gz ODHDKYQTZUUNJQ-JEOXALJRSA-N 1 0 519.496 2.402 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3ccc(F)cc3)nc2C(F)(F)F)C1)CN1C(=O)CCC(F)(F)[C@H]1O ZINC000096167454 562790453 /nfs/dbraw/zinc/79/04/53/562790453.db2.gz WRAFEJUBPSXFSJ-LHSJRXKWSA-N 1 0 531.457 2.480 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@@H](F)[C@H]1O ZINC000096167464 562790488 /nfs/dbraw/zinc/79/04/88/562790488.db2.gz OWCVNVQDIPAUOO-SZZPBAKOSA-N 1 0 501.506 2.105 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@@H](F)[C@@H]1O ZINC000096167465 562790459 /nfs/dbraw/zinc/79/04/59/562790459.db2.gz OWCVNVQDIPAUOO-SCLGINMFSA-N 1 0 501.506 2.105 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@H](F)[C@H]1O ZINC000096167466 562790467 /nfs/dbraw/zinc/79/04/67/562790467.db2.gz OWCVNVQDIPAUOO-HGFQGUBDSA-N 1 0 501.506 2.105 1 0 KEAFRO [NH3+][C@@H](CC(=O)N1CCc2c(nc(-c3cccs3)nc2C(F)(F)F)C1)CN1C(=O)CC[C@H](F)[C@@H]1O ZINC000096167467 562790464 /nfs/dbraw/zinc/79/04/64/562790464.db2.gz OWCVNVQDIPAUOO-LOOLNKMNSA-N 1 0 501.506 2.105 1 0 KEAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N1CCC[C@H](O)C1 ZINC000096167795 562790560 /nfs/dbraw/zinc/79/05/60/562790560.db2.gz JTVRRZNTEPFVNF-FQEVSTJZSA-N 1 0 511.652 2.412 1 0 KEAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N1CCC[C@@H](O)C1 ZINC000096167796 562790558 /nfs/dbraw/zinc/79/05/58/562790558.db2.gz JTVRRZNTEPFVNF-HXUWFJFHSA-N 1 0 511.652 2.412 1 0 KEAFRO CC(C)NC(=O)C1=C(NS(=O)(=O)c2ccc(F)cc2)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]42[C@@]3(O)C1 ZINC000096173320 562791365 /nfs/dbraw/zinc/79/13/65/562791365.db2.gz ZZQJXMZXBWAEFJ-ANYDQABYSA-N 1 0 583.682 2.463 1 0 KEAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)CO ZINC000096270467 562793180 /nfs/dbraw/zinc/79/31/80/562793180.db2.gz WLAHFWWGPAVVEZ-VCOUNFBDSA-N 1 0 511.107 2.252 1 0 KEAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1CCOCC1 ZINC000096270503 562793271 /nfs/dbraw/zinc/79/32/71/562793271.db2.gz ZROJSPHNVWGAGN-RRPUWOKSSA-N 1 0 509.091 2.413 1 0 KEAFRO COC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C ZINC000096270506 562793238 /nfs/dbraw/zinc/79/32/38/562793238.db2.gz YVMULRMGHZWOMN-VCOUNFBDSA-N 1 0 539.117 2.433 1 0 KEAFRO Cc1nc(-c2ccccn2)nc(NC[C@H](NS(=O)(=O)CCN2CC[NH2+]CC2)c2ccccc2)c1Cl ZINC000096271237 562793790 /nfs/dbraw/zinc/79/37/90/562793790.db2.gz QFUCQQDZDHXNRY-NRFANRHFSA-N 1 0 516.071 2.478 1 0 KEAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCC[NH+]1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO ZINC000096282606 562794716 /nfs/dbraw/zinc/79/47/16/562794716.db2.gz BGVTUNXMBJSZRS-XQQPTAJKSA-N 1 0 518.654 2.067 1 0 KEAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO ZINC000096282609 562794703 /nfs/dbraw/zinc/79/47/03/562794703.db2.gz QDXHUVWMIIQUEJ-RGTFROLJSA-N 1 0 518.654 2.067 1 0 KEAFRO COc1ccc2ncc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4cc5c(cn4)OCCS5)CO3)c2n1 ZINC000096284026 562795044 /nfs/dbraw/zinc/79/50/44/562795044.db2.gz DRXUTILJOGAOMV-LHGREFERSA-N 1 0 502.568 2.389 1 0 KEAFRO COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@@H]([NH2+]Cc4cc5c(cn4)OCCS5)CO3)c2n1 ZINC000096284028 562795030 /nfs/dbraw/zinc/79/50/30/562795030.db2.gz DGQXHLCSQRKIHE-LHGREFERSA-N 1 0 502.568 2.389 1 0 KEAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CCN5CCOCC5)c4=O)CC3)CC2)ccn1 ZINC000096285294 562795459 /nfs/dbraw/zinc/79/54/59/562795459.db2.gz KYGYDBWEUNNQKG-UHFFFAOYSA-N 1 0 565.694 2.327 1 0 KEAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccccc5n(CCN5CCOCC5)c4=O)CC3)CC2)ccn1 ZINC000096285295 562795491 /nfs/dbraw/zinc/79/54/91/562795491.db2.gz PVPHPEBVXPEONF-UHFFFAOYSA-N 1 0 547.704 2.188 1 0 KEAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3ccccc32)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C ZINC000096285517 562795804 /nfs/dbraw/zinc/79/58/04/562795804.db2.gz BGYFKRZCGFJTOF-BATDWUPUSA-N 1 0 566.680 2.254 1 0 KEAFRO CCC(=O)NCC(=O)NCCCCNC(=O)NCc1ccc(CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000096286227 562796122 /nfs/dbraw/zinc/79/61/22/562796122.db2.gz DZPLJLVCRKXJEE-WJOKGBTCSA-N 1 0 713.884 2.105 1 0 KEAFRO 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)c1ccc2c(c1)/C(=C/NCC[NH+](C)C)C(=O)N2 ZINC000096902295 562797325 /nfs/dbraw/zinc/79/73/25/562797325.db2.gz KNIGEUREMJCUQT-RJRBJHNLSA-N 1 0 685.844 2.237 1 0 KEAFRO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000096902577 562797503 /nfs/dbraw/zinc/79/75/03/562797503.db2.gz JFMKMZZAVDKJAH-WHAYCDGSSA-N 1 0 770.891 2.397 1 0 KEAFRO CC[N@H+](CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCCF ZINC000096905506 562798484 /nfs/dbraw/zinc/79/84/84/562798484.db2.gz UTCCSNWUOVPLPB-UHFFFAOYSA-N 1 0 548.397 2.305 1 0 KEAFRO CC[N@H+](CCNC(=O)c1cnc2cc(I)ccc2n1)CCOCCOCCOCCOCCOCCOCCOCCF ZINC000096905512 562798481 /nfs/dbraw/zinc/79/84/81/562798481.db2.gz CKLSOYIJXFQMJM-UHFFFAOYSA-N 1 0 724.609 2.372 1 0 KEAFRO 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@@](C)(O)[C@H]2OC(=O)O[C@@]21C ZINC000096906603 562798802 /nfs/dbraw/zinc/79/88/02/562798802.db2.gz OKKNDZZOZMSIPG-GUIMKIRLSA-N 1 0 629.744 2.020 1 0 KEAFRO COC(=O)c1cc(C(=O)OC)cc(C(=O)O[C@H]2C=C3CC[N@H+](C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@H]23)OCO5)c1 ZINC000096908973 562799522 /nfs/dbraw/zinc/79/95/22/562799522.db2.gz QBMHWHYLHSMMAZ-CJRSTVEYSA-N 1 0 535.505 2.481 1 0 KEAFRO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000096909420 562799615 /nfs/dbraw/zinc/79/96/15/562799615.db2.gz UJEVZHVDCODXMU-SDHOMARFSA-N 1 0 539.677 2.154 1 0 KEAFRO COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2C(=O)C[NH2+]Cc1ccc(OC)cc1 ZINC000096910700 562800037 /nfs/dbraw/zinc/80/00/37/562800037.db2.gz DQXIPKVQDYDNPS-SANMLTNESA-N 1 0 552.653 2.306 1 0 KEAFRO COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](Cc1ccccc1)N2C(=O)C[NH2+]Cc1ccc(OC)cc1 ZINC000096910701 562800049 /nfs/dbraw/zinc/80/00/49/562800049.db2.gz DQXIPKVQDYDNPS-AREMUKBSSA-N 1 0 552.653 2.306 1 0 KEAFRO O=C(NC[C@H](O)CO)c1ccc2c(c1)nc(CN1CCC([NH+]3CCCC3)CC1)n2CCc1ccccc1 ZINC000096910702 562800020 /nfs/dbraw/zinc/80/00/20/562800020.db2.gz CHGJGBLWUOZQNX-VWLOTQADSA-N 1 0 505.663 2.422 1 0 KEAFRO O=C(NC[C@@H](O)CO)c1ccc2c(c1)nc(CN1CCC([NH+]3CCCC3)CC1)n2CCc1ccccc1 ZINC000096910703 562800041 /nfs/dbraw/zinc/80/00/41/562800041.db2.gz CHGJGBLWUOZQNX-RUZDIDTESA-N 1 0 505.663 2.422 1 0 KEAFRO OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@@H+]1CCCCCCCCn1cc(COCC23CC4CC(CC(C4)C2)C3)nn1 ZINC000096911259 562800154 /nfs/dbraw/zinc/80/01/54/562800154.db2.gz OGAHBWBWPUWLKS-NLTICPCISA-N 1 0 520.715 2.111 1 0 KEAFRO CN1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000096913977 562800696 /nfs/dbraw/zinc/80/06/96/562800696.db2.gz XCUYKLZEIGGVOF-DVUDJPSXSA-N 1 0 515.654 2.498 1 0 KEAFRO O=C(CNC(=O)c1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000096913980 562800712 /nfs/dbraw/zinc/80/07/12/562800712.db2.gz QCTQVJVRUFCWSJ-FAMAGXMUSA-N 1 0 554.647 2.419 1 0 KEAFRO NC(=O)[C@@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000096921275 562801395 /nfs/dbraw/zinc/80/13/95/562801395.db2.gz VTPULOUHKMZNCL-AXXAOYNRSA-N 1 0 611.743 2.057 1 0 KEAFRO NC(=O)[C@H]1Cc2ccccc2CN(C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000096921276 562801370 /nfs/dbraw/zinc/80/13/70/562801370.db2.gz VTPULOUHKMZNCL-QMMMHVTISA-N 1 0 611.743 2.057 1 0 KEAFRO NC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000096921471 562801438 /nfs/dbraw/zinc/80/14/38/562801438.db2.gz YJARBWVGVJRPKU-QMMMHVTISA-N 1 0 611.743 2.200 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@H]3CCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921562 562801474 /nfs/dbraw/zinc/80/14/74/562801474.db2.gz RIXLZBSYUAUBRN-VIKJWMSSSA-N 1 0 587.695 2.339 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@@H]3CCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921563 562801465 /nfs/dbraw/zinc/80/14/65/562801465.db2.gz RIXLZBSYUAUBRN-GLILJWJXSA-N 1 0 587.695 2.339 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@@H]3CCCc4ccccc4C3)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096922015 562801670 /nfs/dbraw/zinc/80/16/70/562801670.db2.gz LSDDCSHOZZWCMV-KENDQLCMSA-N 1 0 601.722 2.209 1 0 KEAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)O[C@H]3CCCc4ccccc4C3)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096922016 562801652 /nfs/dbraw/zinc/80/16/52/562801652.db2.gz LSDDCSHOZZWCMV-DFBDVCTMSA-N 1 0 601.722 2.209 1 0 KEAFRO O=C(c1cc(F)c(F)cc1F)N(CCCCCC[N@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CCCCC1 ZINC000096926906 562802433 /nfs/dbraw/zinc/80/24/33/562802433.db2.gz GTIKFZJTJQJHCM-UEQSERJNSA-N 1 0 502.574 2.198 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H](NC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000096941695 562805041 /nfs/dbraw/zinc/80/50/41/562805041.db2.gz IAZFMBPAZYUYAZ-BBACVFHCSA-N 1 0 703.844 2.297 1 0 KEAFRO COc1ccc2ncc(F)c(C[C@H](O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000098208374 562805998 /nfs/dbraw/zinc/80/59/98/562805998.db2.gz JWCUKLIKGBNEKA-WOEOTAOXSA-N 1 0 509.538 2.278 1 0 in-vitro KEAFRO CC(=O)Nc1cn(C)c(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s3)n(C)c2)n1 ZINC000098208423 562806017 /nfs/dbraw/zinc/80/60/17/562806017.db2.gz OCJFUMIUSIDSBG-UHFFFAOYSA-N 1 0 557.681 2.483 1 0 in-vitro KEAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@H]2c2ccc3nonc3c2)CC1 ZINC000100844349 562808198 /nfs/dbraw/zinc/80/81/98/562808198.db2.gz VOXOJYXJGWUWQI-XMMPIXPASA-N 1 0 574.594 2.407 1 0 KEAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@@H]2c2ccc3nonc3c2)CC1 ZINC000100844351 562808189 /nfs/dbraw/zinc/80/81/89/562808189.db2.gz VOXOJYXJGWUWQI-DEOSSOPVSA-N 1 0 574.594 2.407 1 0 KEAFRO COC[C@H]1ON=C(c2cccc(C(N)=[NH2+])c2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000100852264 562808224 /nfs/dbraw/zinc/80/82/24/562808224.db2.gz AJBJMUBGBAOKFY-IFMALSPDSA-N 1 0 507.572 2.289 1 0 KEAFRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCO ZINC000101090300 562809126 /nfs/dbraw/zinc/80/91/26/562809126.db2.gz QFUOOSDIBULPDT-MRXNPFEDSA-N 1 0 530.984 2.335 1 0 KEAFRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCN1CC[NH2+]CC1 ZINC000101127133 562809303 /nfs/dbraw/zinc/80/93/03/562809303.db2.gz NJIUIOIOXNZKIA-HXUWFJFHSA-N 1 0 599.107 2.248 1 0 KEAFRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(NCC[NH3+])c(=O)c1=O ZINC000101127153 562809325 /nfs/dbraw/zinc/80/93/25/562809325.db2.gz UJKOQKDKEVRFHE-MRXNPFEDSA-N 1 0 530.000 2.301 1 0 KEAFRO COc1ccc(Cn2c(NCCCNC(N)=[NH2+])nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000101272167 562810125 /nfs/dbraw/zinc/81/01/25/562810125.db2.gz RJXOLZGNTCXFFZ-UHFFFAOYSA-N 1 0 506.394 2.102 1 0 KEAFRO CCCOc1ccc(Cn2c(NCCNC(N)=[NH2+])nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1 ZINC000101272173 562810100 /nfs/dbraw/zinc/81/01/00/562810100.db2.gz AKTFAMMOPZKRNY-UHFFFAOYSA-N 1 0 520.421 2.492 1 0 KEAFRO NC(=[NH2+])NCCNc1nc(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(OC(F)F)cc1 ZINC000101272184 562810102 /nfs/dbraw/zinc/81/01/02/562810102.db2.gz WMMJRTQQCSFDOB-UHFFFAOYSA-N 1 0 528.347 2.305 1 0 KEAFRO COC[C@@H]1ON=C(c2cccc(C(N)=[NH2+])c2)[C@H]1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000101369651 562810453 /nfs/dbraw/zinc/81/04/53/562810453.db2.gz AJBJMUBGBAOKFY-UNMCSNQZSA-N 1 0 507.572 2.289 1 0 KEAFRO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCN2CCN(S(C)(=O)=O)CC2)c1=O ZINC000101787103 562812155 /nfs/dbraw/zinc/81/21/55/562812155.db2.gz GIGBLIZJFWVMDM-BKFWDETESA-N 1 0 543.734 2.275 1 0 KEAFRO Cn1c(NCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000103208088 562816542 /nfs/dbraw/zinc/81/65/42/562816542.db2.gz IKOKSFFWUGZELJ-UHFFFAOYSA-N 1 0 501.635 2.180 1 0 KEAFRO COc1ccccc1N1CC[NH+](CCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1 ZINC000103209291 562816603 /nfs/dbraw/zinc/81/66/03/562816603.db2.gz SWUCARCMKMJUPV-UHFFFAOYSA-N 1 0 517.634 2.115 1 0 KEAFRO CS(=O)(=O)Nc1ccccc1N1CC[NH+](C[C@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000103254543 562820661 /nfs/dbraw/zinc/82/06/61/562820661.db2.gz NGRZDBMSUATHRE-IBGZPJMESA-N 1 0 528.469 2.399 1 0 KEAFRO CS(=O)(=O)Nc1ccccc1N1CC[NH+](C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 ZINC000103254545 562820669 /nfs/dbraw/zinc/82/06/69/562820669.db2.gz NGRZDBMSUATHRE-LJQANCHMSA-N 1 0 528.469 2.399 1 0 KEAFRO CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NCC2CC[NH2+]CC2)n1 ZINC000103257254 562820909 /nfs/dbraw/zinc/82/09/09/562820909.db2.gz CSTHTXUPJYUFSY-UHFFFAOYSA-N 1 0 531.683 2.373 1 0 KEAFRO CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC[C@@H]2CCC[NH2+]C2)n1 ZINC000103257257 562820906 /nfs/dbraw/zinc/82/09/06/562820906.db2.gz JGSVNIPAOGOWTI-LJQANCHMSA-N 1 0 531.683 2.373 1 0 KEAFRO CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CC[NH2+]CC2)n1 ZINC000103257260 562820886 /nfs/dbraw/zinc/82/08/86/562820886.db2.gz GSYCGAZRNZUCGI-UHFFFAOYSA-N 1 0 517.656 2.126 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258352 562821003 /nfs/dbraw/zinc/82/10/03/562821003.db2.gz NQOZAZOXRQVRQX-RPWUZVMVSA-N 1 0 507.635 2.328 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cc1 ZINC000103258359 562821041 /nfs/dbraw/zinc/82/10/41/562821041.db2.gz DEEHPLDVAKJVIC-RPWUZVMVSA-N 1 0 523.634 2.033 1 0 KEAFRO COC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC[C@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261787 562821521 /nfs/dbraw/zinc/82/15/21/562821521.db2.gz CDJICQCCGCTLLR-ADMYYJPISA-N 1 0 526.556 2.226 1 0 KEAFRO COC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC[C@@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261788 562821537 /nfs/dbraw/zinc/82/15/37/562821537.db2.gz CDJICQCCGCTLLR-KGLBSCIUSA-N 1 0 526.556 2.226 1 0 KEAFRO COC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC[C@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261790 562821518 /nfs/dbraw/zinc/82/15/18/562821518.db2.gz CDJICQCCGCTLLR-FTVAOMEISA-N 1 0 526.556 2.226 1 0 KEAFRO COC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC[C@@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261793 562821531 /nfs/dbraw/zinc/82/15/31/562821531.db2.gz CDJICQCCGCTLLR-WKCLBBNESA-N 1 0 526.556 2.226 1 0 KEAFRO COCCOC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC[C@@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261835 562821554 /nfs/dbraw/zinc/82/15/54/562821554.db2.gz GFCLGHKFMNAGAK-BUQHWBFDSA-N 1 0 570.609 2.242 1 0 KEAFRO COCCOC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC[C@@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261836 562821560 /nfs/dbraw/zinc/82/15/60/562821560.db2.gz GFCLGHKFMNAGAK-VVBLAGNDSA-N 1 0 570.609 2.242 1 0 KEAFRO COCCOC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC[C@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261838 562821572 /nfs/dbraw/zinc/82/15/72/562821572.db2.gz GFCLGHKFMNAGAK-CMOHQRLCSA-N 1 0 570.609 2.242 1 0 KEAFRO COCCOC(=O)N1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC[C@H]3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103261840 562821547 /nfs/dbraw/zinc/82/15/47/562821547.db2.gz GFCLGHKFMNAGAK-JBWFOUKFSA-N 1 0 570.609 2.242 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263870 562821844 /nfs/dbraw/zinc/82/18/44/562821844.db2.gz NZESSOWCFRGXLK-JBWFOUKFSA-N 1 0 546.594 2.454 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263873 562821860 /nfs/dbraw/zinc/82/18/60/562821860.db2.gz NZESSOWCFRGXLK-VVBLAGNDSA-N 1 0 546.594 2.454 1 0 KEAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263876 562821835 /nfs/dbraw/zinc/82/18/35/562821835.db2.gz NZESSOWCFRGXLK-CMOHQRLCSA-N 1 0 546.594 2.454 1 0 KEAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263882 562821847 /nfs/dbraw/zinc/82/18/47/562821847.db2.gz NZESSOWCFRGXLK-BUQHWBFDSA-N 1 0 546.594 2.454 1 0 KEAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263886 562821834 /nfs/dbraw/zinc/82/18/34/562821834.db2.gz GWJQKCCJHXUFOR-VLQWFNRASA-N 1 0 510.557 2.006 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263890 562821859 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CC[C@H]1CN(c2nc(N)c(-c3nnc(NCCO)o3)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000103266186 562822238 /nfs/dbraw/zinc/82/22/38/562822238.db2.gz HLUWPHXJQROFAX-AWEZNQCLSA-N 1 0 606.519 2.002 1 0 KEAFRO C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)([NH3+])[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCCCC1 ZINC000103266282 562822288 /nfs/dbraw/zinc/82/22/88/562822288.db2.gz SEXODVYSVVTXFN-SWISVEROSA-N 1 0 594.602 2.350 1 0 KEAFRO C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)([NH3+])[C@@H]1O)Oc1ccccc1)C(=O)OC1CCCCCCC1 ZINC000103266284 562822251 /nfs/dbraw/zinc/82/22/51/562822251.db2.gz SEXODVYSVVTXFN-VNHJONDSSA-N 1 0 594.602 2.350 1 0 KEAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(C)C2=O)C1 ZINC000103287263 562823845 /nfs/dbraw/zinc/82/38/45/562823845.db2.gz WPKFTRYAFVFPIH-FQEVSTJZSA-N 1 0 506.611 2.139 1 0 KEAFRO C[N@H+](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C[C@H]1O[C@@H](n2ccc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000103295982 562824549 /nfs/dbraw/zinc/82/45/49/562824549.db2.gz TVKJKKLGQJCFQK-GSTLAZBSSA-N 1 0 558.639 2.493 1 0 KEAFRO CNC(=[NH2+])N1C=C[C@]2(C[NH2+]CCO)CC[C@H]3[C@@]45C6=C(C(=O)[O-])[C@]3(O)[C@H](OC)CCCC[C@@H]4CC[C@H](C6)[C@@]52C1 ZINC000103524478 560051289 /nfs/dbraw/zinc/05/12/89/560051289.db2.gz QWYMGZAXOZXQPU-IAZZRGHNSA-N 1 0 528.694 2.066 1 0 biogenic,in-vitro KEAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCC1(CCCC1)CC4=O ZINC000103524493 560051267 /nfs/dbraw/zinc/05/12/67/560051267.db2.gz ZIGUCQXQGQLYLP-BZHXYUBTSA-N 1 0 540.705 2.400 1 0 biogenic,in-vitro KEAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCCC4)C[C@]32[C@H](C)CC1 ZINC000103524524 560051307 /nfs/dbraw/zinc/05/13/07/560051307.db2.gz JNZSAKTXVPCGKN-FPPXPWOFSA-N 1 0 530.710 2.456 1 0 biogenic,in-vitro KEAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCC4)C[C@]32[C@H](C)CC1 ZINC000103524580 291740887 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ZINC000112940682 562825622 /nfs/dbraw/zinc/82/56/22/562825622.db2.gz PHAJRAXPUGWQRH-NRFANRHFSA-N 1 0 575.707 2.389 1 0 KEAFRO O=C(c1nn(-c2ccc(C[NH2+][C@@H]3CCOC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940685 562825633 /nfs/dbraw/zinc/82/56/33/562825633.db2.gz DVJHHRDBSCMRFO-LJQANCHMSA-N 1 0 508.600 2.178 1 0 KEAFRO O=C(c1nn(-c2ccc(C[NH2+][C@H]3CCOC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940688 562825658 /nfs/dbraw/zinc/82/56/58/562825658.db2.gz DVJHHRDBSCMRFO-IBGZPJMESA-N 1 0 508.600 2.178 1 0 KEAFRO C[N@@H+]1CCC[C@H](N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1 ZINC000112940715 562825630 /nfs/dbraw/zinc/82/56/30/562825630.db2.gz CDBZWHCUAHJXIC-PMACEKPBSA-N 1 0 513.664 2.041 1 0 KEAFRO C[N@@H+]1CCC[C@@H](N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C1 ZINC000112940718 562825626 /nfs/dbraw/zinc/82/56/26/562825626.db2.gz CDBZWHCUAHJXIC-UXHICEINSA-N 1 0 513.664 2.041 1 0 KEAFRO COC1CC[NH+](CCN2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CC1 ZINC000112940721 562825655 /nfs/dbraw/zinc/82/56/55/562825655.db2.gz ISLVPOPCAGBKHP-NRFANRHFSA-N 1 0 557.717 2.058 1 0 KEAFRO O=C(c1nn([C@@H]2CCC[N@@H+](C3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940848 562825605 /nfs/dbraw/zinc/82/56/05/562825605.db2.gz HWQXDWNWVAOPGP-LJQANCHMSA-N 1 0 500.621 2.126 1 0 KEAFRO O=C(c1nn([C@H]2CCC[N@@H+](C3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940851 562825731 /nfs/dbraw/zinc/82/57/31/562825731.db2.gz HWQXDWNWVAOPGP-IBGZPJMESA-N 1 0 500.621 2.126 1 0 KEAFRO O=C(c1nn([C@@H]2CC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941155 562825728 /nfs/dbraw/zinc/82/57/28/562825728.db2.gz XGBDKCNPCGGPBO-HXUWFJFHSA-N 1 0 514.648 2.373 1 0 KEAFRO O=C(c1nn([C@H]2CC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941158 562825691 /nfs/dbraw/zinc/82/56/91/562825691.db2.gz XGBDKCNPCGGPBO-FQEVSTJZSA-N 1 0 514.648 2.373 1 0 KEAFRO O=C(c1nn([C@@H]2CCC[N@H+](CC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941289 562825768 /nfs/dbraw/zinc/82/57/68/562825768.db2.gz NLZNQTSAEGRBEQ-HXUWFJFHSA-N 1 0 514.648 2.373 1 0 KEAFRO O=C(c1nn([C@H]2CCC[N@H+](CC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941292 562825797 /nfs/dbraw/zinc/82/57/97/562825797.db2.gz NLZNQTSAEGRBEQ-FQEVSTJZSA-N 1 0 514.648 2.373 1 0 KEAFRO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941774 562825888 /nfs/dbraw/zinc/82/58/88/562825888.db2.gz BDQJIUXJPAJLOX-NRFANRHFSA-N 1 0 545.681 2.381 1 0 KEAFRO O=C(c1nn([C@@H]2CCCN(CC[NH+]3CCC(F)CC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112941776 562825825 /nfs/dbraw/zinc/82/58/25/562825825.db2.gz BDQJIUXJPAJLOX-OAQYLSRUSA-N 1 0 545.681 2.381 1 0 KEAFRO O=C(c1nn([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112941810 562825847 /nfs/dbraw/zinc/82/58/47/562825847.db2.gz UINYBYLWBAMMPE-ZWKOTPCHSA-N 1 0 518.611 2.122 1 0 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2.433 1 0 KEAFRO O=C(c1nn([C@H]2CCCN(CC[NH+]3CCCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942794 562825902 /nfs/dbraw/zinc/82/59/02/562825902.db2.gz BJNCOVPPPKXBBA-FQEVSTJZSA-N 1 0 513.664 2.043 1 0 KEAFRO O=C(c1nn([C@H]2CCC[N@@H+](C3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112942826 562825980 /nfs/dbraw/zinc/82/59/80/562825980.db2.gz CVJYZNKVAFBTDT-SFHVURJKSA-N 1 0 518.611 2.265 1 0 KEAFRO COCC[N@H+](C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1 ZINC000112943025 562826013 /nfs/dbraw/zinc/82/60/13/562826013.db2.gz QBURVOCVNFVRQH-UHFFFAOYSA-N 1 0 510.616 2.377 1 0 KEAFRO O=C(c1nn([C@@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ncccc1-2)N1CCOCC1 ZINC000112943319 562826007 /nfs/dbraw/zinc/82/60/07/562826007.db2.gz GALWNKLIQPVNFO-HXUWFJFHSA-N 1 0 529.663 2.158 1 0 KEAFRO O=C(c1nn(C2CCC(C[NH+]3CCOCC3)CC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112943323 562826048 /nfs/dbraw/zinc/82/60/48/562826048.db2.gz CDCYZIADQZZXOR-UHFFFAOYSA-N 1 0 514.648 2.373 1 0 KEAFRO O=C(c1nn([C@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ncccc1-2)N1CCOCC1 ZINC000112943366 562826055 /nfs/dbraw/zinc/82/60/55/562826055.db2.gz GALWNKLIQPVNFO-FQEVSTJZSA-N 1 0 529.663 2.158 1 0 KEAFRO C[NH+]1CCC(N2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CC1 ZINC000112943449 562826034 /nfs/dbraw/zinc/82/60/34/562826034.db2.gz JGMSAJQEYJEURV-FQEVSTJZSA-N 1 0 513.664 2.041 1 0 KEAFRO COc1ccc(C2(O)CC[NH+](C)CC2)cc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 ZINC000113089222 562826134 /nfs/dbraw/zinc/82/61/34/562826134.db2.gz RGFPBWKTHXNVEH-XMMPIXPASA-N 1 0 509.582 2.481 1 0 KEAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc2)C1 ZINC000113089383 562826164 /nfs/dbraw/zinc/82/61/64/562826164.db2.gz SUENTNCHFROTMG-NBGIEHNGSA-N 1 0 509.582 2.395 1 0 KEAFRO COc1ccc(Nc2ncc([C@@H]([NH3+])c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1 ZINC000113240989 562826383 /nfs/dbraw/zinc/82/63/83/562826383.db2.gz AFNXFVRFKXIJTK-NRFANRHFSA-N 1 0 521.607 2.270 1 0 KEAFRO COc1ccc(Nc2ncc([C@H]([NH3+])c3ccc(S(=O)(=O)N(C)C)cc3)cc2-c2nc(C)nc(N)n2)cn1 ZINC000113240990 562826392 /nfs/dbraw/zinc/82/63/92/562826392.db2.gz AFNXFVRFKXIJTK-OAQYLSRUSA-N 1 0 521.607 2.270 1 0 KEAFRO COc1cc([C@@]2(O)CC[NH2+]C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000114008292 562826907 /nfs/dbraw/zinc/82/69/07/562826907.db2.gz ZGEHEWCTKGNYEX-AHWVRZQESA-N 1 0 538.630 2.086 1 0 KEAFRO Cc1nonc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)[N@@H+](CC3CCOCC3)C[C@@H]1C)C2(C)C ZINC000114182426 562827828 /nfs/dbraw/zinc/82/78/28/562827828.db2.gz RCXHIRPZGMVEDY-CABCVRRESA-N 1 0 500.604 2.345 1 0 KEAFRO COCC[NH+]1CCN(c2ccc3nc(Nc4cnc(OC)c(F)c4)c(-c4nc(C)nc(N)n4)n3c2)CC1 ZINC000114513760 562828255 /nfs/dbraw/zinc/82/82/55/562828255.db2.gz VVZXIPYMKVAZOT-UHFFFAOYSA-N 1 0 508.562 2.132 1 0 KEAFRO CC(C)Nc1nc(-c2ccc(NCCCN3CC[NH+](C)CC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c21 ZINC000115623974 562828969 /nfs/dbraw/zinc/82/89/69/562828969.db2.gz GJBLTTGPUGTYGT-UHFFFAOYSA-N 1 0 527.695 2.269 1 0 KEAFRO Cn1cnc2cc(-c3ccc(NCCCN4CC[NH+](C)CC4)c(S(C)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115625468 562828994 /nfs/dbraw/zinc/82/89/94/562828994.db2.gz RPKFHHMNEMHKCK-UHFFFAOYSA-N 1 0 525.679 2.023 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCN(CCO)CC4)cn3)nc2n1C1CCCC1 ZINC000117726297 562829847 /nfs/dbraw/zinc/82/98/47/562829847.db2.gz WETSQJULJPIDGU-UHFFFAOYSA-N 1 0 506.611 2.137 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@@]5(CCC[NH2+]5)C4=O)cn3)nc2n1[C@@H]1CCCOC1 ZINC000118586563 562830351 /nfs/dbraw/zinc/83/03/51/562830351.db2.gz YDHOISKQRAMMCI-BCHFMIIMSA-N 1 0 504.595 2.482 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@]5(CCC[NH2+]5)C4=O)cn3)nc2n1[C@@H]1CCCOC1 ZINC000118586565 562830384 /nfs/dbraw/zinc/83/03/84/562830384.db2.gz YDHOISKQRAMMCI-NIYFSFCBSA-N 1 0 504.595 2.482 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@@]5(CCC[NH2+]5)C4=O)cn3)nc2n1[C@H]1CCCOC1 ZINC000118586567 562830361 /nfs/dbraw/zinc/83/03/61/562830361.db2.gz YDHOISKQRAMMCI-SIBVEZHUSA-N 1 0 504.595 2.482 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[C@]5(CCC[NH2+]5)C4=O)cn3)nc2n1[C@H]1CCCOC1 ZINC000118586569 562830390 /nfs/dbraw/zinc/83/03/90/562830390.db2.gz YDHOISKQRAMMCI-AFMDSPMNSA-N 1 0 504.595 2.482 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1[C@@H]1CCCOC1 ZINC000118588180 562830410 /nfs/dbraw/zinc/83/04/10/562830410.db2.gz ABAXEAIRGMFJEO-HSALFYBXSA-N 1 0 504.595 2.200 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4[C@@H]5C[NH2+]C[C@H]4COC5)cn3)nc2n1C1CCCC1 ZINC000118591800 562830406 /nfs/dbraw/zinc/83/04/06/562830406.db2.gz OHOGKSHNJOSNJQ-BGYRXZFFSA-N 1 0 504.595 2.200 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[NH2+]C[C@@H](C4)O5)cn3)nc2n1C1CCCC1 ZINC000118591877 562830445 /nfs/dbraw/zinc/83/04/45/562830445.db2.gz LBAZDXGDLBZRAG-BGYRXZFFSA-N 1 0 504.595 2.200 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)N5C(=O)C[NH3+])cn3)nc2n1C1CCCC1 ZINC000118594348 562830460 /nfs/dbraw/zinc/83/04/60/562830460.db2.gz QDMFIGBWXRJFHJ-OYRHEFFESA-N 1 0 545.648 2.161 1 0 KEAFRO CC[NH+]1CCN(c2ccc(NC(=O)N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)c(C)c2)CC1 ZINC000118758148 562830515 /nfs/dbraw/zinc/83/05/15/562830515.db2.gz HIPZDRDXQLICSG-UHFFFAOYSA-N 1 0 544.664 2.397 1 0 KEAFRO CC[NH+]1CCN(c2cc(F)c(NC(=O)N3CCc4c3nc(N3CCOCC3)nc4-c3cnc(N)nc3)c(F)c2)CC1 ZINC000118760144 562830502 /nfs/dbraw/zinc/83/05/02/562830502.db2.gz BPFCAIMDJPJDIW-UHFFFAOYSA-N 1 0 566.617 2.367 1 0 KEAFRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O[C@@H]5O[C@H](C[NH3+])[C@@H](O)[C@H]5O)CC[C@@]43C)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000118921369 562830921 /nfs/dbraw/zinc/83/09/21/562830921.db2.gz SBGOTKKQCANQOM-GWZWLXTRSA-N 1 0 505.652 2.034 1 0 KEAFRO COC(=O)[C@H](O)[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000136441463 562831184 /nfs/dbraw/zinc/83/11/84/562831184.db2.gz CAOHZEUEVKYHPF-IOWGZZRXSA-N 1 0 531.602 2.047 1 0 KEAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3ccc(C(N)=[NH2+])cc3)n(C)c2)n(C)c1 ZINC000139374030 562832409 /nfs/dbraw/zinc/83/24/09/562832409.db2.gz GFTLFOIKBJXDLT-UHFFFAOYSA-N 1 0 529.561 2.311 1 0 KEAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)CN3CC[NH2+]CC3)nc2N)cc1I ZINC000139752081 562832729 /nfs/dbraw/zinc/83/27/29/562832729.db2.gz QUXIGEUFPRPYSX-UHFFFAOYSA-N 1 0 526.379 2.431 1 0 KEAFRO CNC(=O)c1ccc(CNc2nc(NCCN3CC[NH+](C)CC3)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1 ZINC000141098963 562833483 /nfs/dbraw/zinc/83/34/83/562833483.db2.gz MXXSSNCJCUEFQM-UHFFFAOYSA-N 1 0 575.718 2.083 1 0 KEAFRO O=C(C[C@H]1CN(c2cccc(F)n2)CCN1c1ccnc(-n2ccnc2)n1)NCc1ccc2c(c1)OCO2 ZINC000142215721 562834032 /nfs/dbraw/zinc/83/40/32/562834032.db2.gz ZYJJCOLCHBJORK-IBGZPJMESA-N 1 0 516.537 2.327 1 0 KEAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)[C@@H]1O ZINC000143793771 562835292 /nfs/dbraw/zinc/83/52/92/562835292.db2.gz NVZGHXFOSFAGKS-LLHPUKMZSA-N 1 0 504.672 2.473 1 0 KEAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2cc(OCC)c(CC)cn2)C2CC2)[C@@H]1O ZINC000143793999 562835282 /nfs/dbraw/zinc/83/52/82/562835282.db2.gz WHWGFMLDIJTFCO-XBZNOJLSSA-N 1 0 504.672 2.302 1 0 KEAFRO CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)N(c2ccc(C(C)(C)OC)cn2)C2CC2)[C@@H]1O ZINC000144065457 562835694 /nfs/dbraw/zinc/83/56/94/562835694.db2.gz LCKJHNVSFHSWNK-CNIHBODFSA-N 1 0 504.672 2.222 1 0 KEAFRO CCc1nn2c(nc(C)cc2C)c1Cc1ccc(/C=C/CN2CCN(C(=O)[C@H]3[NH2+]CC[C@H]3O)CC2)cc1 ZINC000144116156 562835787 /nfs/dbraw/zinc/83/57/87/562835787.db2.gz CUTDZNGHWQIQSY-RDKRQUCRSA-N 1 0 502.663 2.380 1 0 KEAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NC(=O)CC2CCOCC2)C(C)C)ccc1OC ZINC000144565738 562836439 /nfs/dbraw/zinc/83/64/39/562836439.db2.gz PLWCLTNJVOKTLA-XZOQPEGZSA-N 1 0 505.656 2.482 1 0 KEAFRO C[C@H]1COCCN1c1nc2nc(-c3cccc(C(=O)N4CC[NH2+]CC4)c3)ccc2c(N2CCOC[C@@H]2C)n1 ZINC000144834348 562836677 /nfs/dbraw/zinc/83/66/77/562836677.db2.gz ZZQCLYRKHXGIJY-PMACEKPBSA-N 1 0 517.634 2.187 1 0 KEAFRO CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OCC[N@H+](C)CCO)ccn5)n4)ccc3[nH]2)CC1 ZINC000145266267 562836972 /nfs/dbraw/zinc/83/69/72/562836972.db2.gz PAKQGBPCPDFGNM-UHFFFAOYSA-N 1 0 530.633 2.454 1 0 KEAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cnc(=O)[nH]c4)cc2)c(O)c13 ZINC000147450209 562839360 /nfs/dbraw/zinc/83/93/60/562839360.db2.gz LDVUYNCUMGEBCI-HGLPBTONSA-N 1 0 528.609 2.097 1 0 KEAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13 ZINC000148040150 562839980 /nfs/dbraw/zinc/83/99/80/562839980.db2.gz CUKMGLMWZGYQHK-OENWMMNHSA-N 1 0 544.608 2.215 1 0 KEAFRO CO[C@@]12CCC(=O)C[C@@]13CC[N@H+](C)[C@@H]2Cc1ccc(C(=O)NCCc2ccc(-c4c[nH]c(=O)[nH]c4=O)cc2)c(O)c13 ZINC000148041946 562839989 /nfs/dbraw/zinc/83/99/89/562839989.db2.gz TXLXUPAZWSBLQF-RYHYHUEASA-N 1 0 558.635 2.045 1 0 KEAFRO NC(=O)n1cc(CC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc21 ZINC000148236483 562840648 /nfs/dbraw/zinc/84/06/48/562840648.db2.gz JVBORAPWZFKHKE-CYFREDJKSA-N 1 0 503.937 2.487 1 0 KEAFRO Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CC[NH2+]CC3)nc21 ZINC000148252156 562840725 /nfs/dbraw/zinc/84/07/25/562840725.db2.gz AIPXGDHQHFTABL-UHFFFAOYSA-N 1 0 547.645 2.384 1 0 KEAFRO CO[C@H]1[C@H]([NH3+])CN(C(=O)Nc2cn(C(N)=O)c3ccccc23)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000148396809 562841246 /nfs/dbraw/zinc/84/12/46/562841246.db2.gz OXOUSURATKQIJS-XPGWFJOJSA-N 1 0 502.934 2.235 1 0 KEAFRO CSc1ccc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000149031365 562842109 /nfs/dbraw/zinc/84/21/09/562842109.db2.gz JZTKKQOTCBZVAE-UXHICEINSA-N 1 0 523.581 2.358 1 0 KEAFRO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 ZINC000149032061 562842079 /nfs/dbraw/zinc/84/20/79/562842079.db2.gz JZTKKQOTCBZVAE-PMACEKPBSA-N 1 0 523.581 2.358 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC7(O)COC7)nc65)(CC3)OC4)nc2N1 ZINC000149133838 562842195 /nfs/dbraw/zinc/84/21/95/562842195.db2.gz GBJOVRXLTKZGFS-UHFFFAOYSA-N 1 0 565.602 2.439 1 0 KEAFRO CNC(=O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149141500 562842202 /nfs/dbraw/zinc/84/22/02/562842202.db2.gz MFNVOCAEZQBGRD-UHFFFAOYSA-N 1 0 550.591 2.424 1 0 KEAFRO COc1ccc2ncc(F)c(CC(=O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149164825 562842311 /nfs/dbraw/zinc/84/23/11/562842311.db2.gz XKNSPXKTXJXTPG-UHFFFAOYSA-N 1 0 507.522 2.487 1 0 KEAFRO COc1ccc2ncc(F)c(C[C@@H](O)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149200135 562842468 /nfs/dbraw/zinc/84/24/68/562842468.db2.gz JWCUKLIKGBNEKA-LSCLNCKRSA-N 1 0 509.538 2.278 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC([C@@H](O)Cc5c(F)cnc6ccc(OCCCO)nc65)(CC3)OC4)nc2N1 ZINC000149247145 562842561 /nfs/dbraw/zinc/84/25/61/562842561.db2.gz GOSJYGIGXHPKNH-ZJOVHXHXSA-N 1 0 553.591 2.031 1 0 KEAFRO CC[C@@H]1NC(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CC[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)=CO1 ZINC000149540894 562842675 /nfs/dbraw/zinc/84/26/75/562842675.db2.gz VOJNLZVUSHQQNW-OXJNMPFZSA-N 1 0 501.632 2.149 1 0 KEAFRO CC[C@H]1NC(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CC[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)=CO1 ZINC000149541111 562842678 /nfs/dbraw/zinc/84/26/78/562842678.db2.gz VOJNLZVUSHQQNW-JXFKEZNVSA-N 1 0 501.632 2.149 1 0 KEAFRO CC(C)[C@H]1CN(CCN2CC[NH2+]CC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000165240636 562849947 /nfs/dbraw/zinc/84/99/47/562849947.db2.gz MJVCQDSSQMBZKS-JOCHJYFZSA-N 1 0 500.611 2.353 1 0 KEAFRO C[NH2+]C[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000166934620 562850512 /nfs/dbraw/zinc/85/05/12/562850512.db2.gz AADMVMUUAFAHRV-OAQYLSRUSA-N 1 0 510.520 2.331 1 0 KEAFRO C[NH2+]C[C@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000166934729 562850482 /nfs/dbraw/zinc/85/04/82/562850482.db2.gz AADMVMUUAFAHRV-NRFANRHFSA-N 1 0 510.520 2.331 1 0 KEAFRO C[NH+]1CCN(CCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ncc(Br)s2)C32CC2)CC1 ZINC000168469818 562851395 /nfs/dbraw/zinc/85/13/95/562851395.db2.gz YTQGBFQHRCMNFT-CYGHRXIMSA-N 1 0 508.486 2.426 1 0 KEAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCOC[C@@H]2C)nc3N2CCOC[C@@H]2C)cc1C[NH2+]CCO ZINC000168710039 562851533 /nfs/dbraw/zinc/85/15/33/562851533.db2.gz YPGCYUPZBDGOEX-OALUTQOASA-N 1 0 508.623 2.233 1 0 KEAFRO CC(C)CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCOCC3)ncc2-c2cnc3[nH]ccc3n2)C1 ZINC000168822663 562851545 /nfs/dbraw/zinc/85/15/45/562851545.db2.gz AQGDWJQZAICCQE-KRWDZBQOSA-N 1 0 500.629 2.114 1 0 KEAFRO CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](Nc2nc(N3CCN(C)CC3)ncc2-c2cnc3[nH]ccc3n2)C1 ZINC000168866607 562851564 /nfs/dbraw/zinc/85/15/64/562851564.db2.gz GCRPKZFLZHBPJI-OALUTQOASA-N 1 0 527.699 2.275 1 0 KEAFRO COCCCOc1ccccc1C1CCN(C[C@H]([NH3+])[C@@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1 ZINC000169290829 562851808 /nfs/dbraw/zinc/85/18/08/562851808.db2.gz QPWJPASOXZROBN-DSITVLBTSA-N 1 0 534.742 2.260 1 0 KEAFRO COCCCOc1ccccc1C1CCN(C[C@H]([NH3+])[C@H](O)C[C@@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)CC1 ZINC000169290830 562851817 /nfs/dbraw/zinc/85/18/17/562851817.db2.gz QPWJPASOXZROBN-DSNGMDLFSA-N 1 0 534.742 2.260 1 0 KEAFRO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000169306051 562853459 /nfs/dbraw/zinc/85/34/59/562853459.db2.gz DGGAHNYNMBHJKQ-YADHBBJMSA-N 1 0 532.688 2.338 1 0 KEAFRO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@H](O)CN1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000169306052 562853490 /nfs/dbraw/zinc/85/34/90/562853490.db2.gz DGGAHNYNMBHJKQ-FGZHOGPDSA-N 1 0 532.688 2.338 1 0 KEAFRO Cc1noc(C)c1S(=O)(=O)N(Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000169306904 562853666 /nfs/dbraw/zinc/85/36/66/562853666.db2.gz RGJFVXULBQMNQG-RPWUZVMVSA-N 1 0 530.622 2.487 1 0 KEAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 ZINC000169308045 562854006 /nfs/dbraw/zinc/85/40/06/562854006.db2.gz GGQCJJJQUHXYRL-NBMJBFSESA-N 1 0 518.602 2.353 1 0 KEAFRO Cc1cccc(C)c1C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(N)=O ZINC000169308457 562854052 /nfs/dbraw/zinc/85/40/52/562854052.db2.gz CPQMYSRHKXCHJU-YDPTYEFTSA-N 1 0 627.786 2.427 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(N)=O ZINC000169308461 562854077 /nfs/dbraw/zinc/85/40/77/562854077.db2.gz FSDAHJDHUQDCNF-YDPTYEFTSA-N 1 0 643.785 2.133 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc21)C(N)=O ZINC000169308467 562854083 /nfs/dbraw/zinc/85/40/83/562854083.db2.gz OPLCYKYAOILVPS-GSDHBNRESA-N 1 0 502.615 2.236 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000169308469 562854079 /nfs/dbraw/zinc/85/40/79/562854079.db2.gz FVYRGRRGGSESBL-GSDHBNRESA-N 1 0 502.615 2.236 1 0 KEAFRO Cc1cc(NC(=O)C[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 ZINC000169312352 562855340 /nfs/dbraw/zinc/85/53/40/562855340.db2.gz ZUISNNULZKLLCT-JBSLAQFFSA-N 1 0 703.862 2.122 1 0 KEAFRO Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(N4CC(=O)N(C5CC5)CC4=O)cc3)n2)n[nH]1 ZINC000169312483 562855355 /nfs/dbraw/zinc/85/53/55/562855355.db2.gz JXAKCZPGONRBSS-UHFFFAOYSA-N 1 0 516.610 2.085 1 0 KEAFRO [NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321177 562856576 /nfs/dbraw/zinc/85/65/76/562856576.db2.gz RIVOYMBXAGXMKR-FMYROPPKSA-N 1 0 567.646 2.467 1 0 KEAFRO NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000169330897 562858827 /nfs/dbraw/zinc/85/88/27/562858827.db2.gz SIWMJMKSDWSOJS-NXCFDTQHSA-N 1 0 544.656 2.304 1 0 KEAFRO Cc1nnc(SCC2=C(C(=O)OCOC(=O)C(C)(C)C)N3C(=O)[C@@H](NC(=O)[C@H](N)c4ccccc4)[C@H]3SC2)s1 ZINC000169332242 562859143 /nfs/dbraw/zinc/85/91/43/562859143.db2.gz RSXHOTSIPSWUDW-CBGDNZLLSA-N 1 0 591.737 2.383 1 0 KEAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2[S@@](=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334790 562859533 /nfs/dbraw/zinc/85/95/33/562859533.db2.gz NSVRMSCZMLBBLP-ADZTZTSJSA-N 1 0 501.571 2.048 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2[S@@](=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334793 562859549 /nfs/dbraw/zinc/85/95/49/562859549.db2.gz NSVRMSCZMLBBLP-CNWBEYHRSA-N 1 0 501.571 2.048 1 0 KEAFRO CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(C(C)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334816 562859558 /nfs/dbraw/zinc/85/95/58/562859558.db2.gz GKGATPIDRRRFLJ-BKSKZGTRSA-N 1 0 510.557 2.148 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(C(C)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334818 562859542 /nfs/dbraw/zinc/85/95/42/562859542.db2.gz GKGATPIDRRRFLJ-DXRYYMCWSA-N 1 0 510.557 2.148 1 0 KEAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2N(C(C)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334820 562859539 /nfs/dbraw/zinc/85/95/39/562859539.db2.gz GKGATPIDRRRFLJ-KAQSZFGASA-N 1 0 510.557 2.148 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2N(C(C)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334822 562859555 /nfs/dbraw/zinc/85/95/55/562859555.db2.gz GKGATPIDRRRFLJ-KTVXNNLMSA-N 1 0 510.557 2.148 1 0 KEAFRO CO[C@H]1COCC[C@H]1[N@H+](CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334912 562859559 /nfs/dbraw/zinc/85/95/59/562859559.db2.gz DZNKRRCJQVRIHF-FGBFUVBKSA-N 1 0 527.584 2.411 1 0 KEAFRO CO[C@H]1COCC[C@@H]1[N@H+](CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334914 562859545 /nfs/dbraw/zinc/85/95/45/562859545.db2.gz DZNKRRCJQVRIHF-BQYMIBSYSA-N 1 0 527.584 2.411 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169347302 562861929 /nfs/dbraw/zinc/86/19/29/562861929.db2.gz KTWYKTCSOLBNMZ-XCUBKVFDSA-N 1 0 654.871 2.342 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169347306 562861938 /nfs/dbraw/zinc/86/19/38/562861938.db2.gz KTWYKTCSOLBNMZ-HRUXOILCSA-N 1 0 654.871 2.342 1 0 KEAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349494 562862618 /nfs/dbraw/zinc/86/26/18/562862618.db2.gz CJBHZSUJHMFDKA-LDLFXXLYSA-N 1 0 787.659 2.181 1 0 KEAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349495 562862610 /nfs/dbraw/zinc/86/26/10/562862610.db2.gz CJBHZSUJHMFDKA-FWGCVNADSA-N 1 0 787.659 2.181 1 0 KEAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349496 562862631 /nfs/dbraw/zinc/86/26/31/562862631.db2.gz CJBHZSUJHMFDKA-ISSPZXTRSA-N 1 0 787.659 2.181 1 0 KEAFRO CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349497 562862624 /nfs/dbraw/zinc/86/26/24/562862624.db2.gz CJBHZSUJHMFDKA-YGXYGYJOSA-N 1 0 787.659 2.181 1 0 KEAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(c3ncnc4n[nH]c(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354389 562863646 /nfs/dbraw/zinc/86/36/46/562863646.db2.gz GHARCVPTJMBSSW-NEKDWFFYSA-N 1 0 571.748 2.269 1 0 KEAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C ZINC000169354393 562863652 /nfs/dbraw/zinc/86/36/52/562863652.db2.gz AZWFENCKMNSKBH-WIOPSUGQSA-N 1 0 523.652 2.245 1 0 KEAFRO CC[NH2+][C@H]1CN(c2nc([N-]c3nc(SC)cc(-c4cc(OC)c(OC)c(OC)c4)n3)nc(N3CCO[C@@H]([NH2+]CC)C3)n2)CCO1 ZINC000169356949 562863880 /nfs/dbraw/zinc/86/38/80/562863880.db2.gz GWQBLLMEXHVBBQ-DHIUTWEWSA-N 1 0 642.787 2.364 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169359389 562864054 /nfs/dbraw/zinc/86/40/54/562864054.db2.gz QMIIETJQUSZXNX-WRPMCVFTSA-N 1 0 619.804 2.173 1 0 KEAFRO CC(C)C[C@H]([NH2+]CC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@H](O)C[C@H](C)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000169359392 562864060 /nfs/dbraw/zinc/86/40/60/562864060.db2.gz QMIIETJQUSZXNX-LRJSQAIZSA-N 1 0 619.804 2.173 1 0 KEAFRO COC(=O)[C@H](O)[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@@]23CCC[N@H+]2CCc2cc4c(cc2[C@@H]13)OCO4 ZINC000169360432 562864142 /nfs/dbraw/zinc/86/41/42/562864142.db2.gz CAOHZEUEVKYHPF-WBNSHVLOSA-N 1 0 531.602 2.047 1 0 KEAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+]([C@H]3CCSC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000169684421 562865020 /nfs/dbraw/zinc/86/50/20/562865020.db2.gz WXZWZEOFGKINDU-SCUYQTRWSA-N 1 0 638.897 2.303 1 0 KEAFRO CN(C)c1ccc(NC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)cc1 ZINC000169694457 562865269 /nfs/dbraw/zinc/86/52/69/562865269.db2.gz CVBDVAGENCBLPX-LKAHNZHJSA-N 1 0 503.599 2.456 1 0 KEAFRO CN(C)c1ccc(NC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)cc1 ZINC000169694458 562865332 /nfs/dbraw/zinc/86/53/32/562865332.db2.gz CVBDVAGENCBLPX-BCTJHDQDSA-N 1 0 503.599 2.456 1 0 KEAFRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)c1 ZINC000169694475 562865285 /nfs/dbraw/zinc/86/52/85/562865285.db2.gz VFZWXANKGZKMBN-HXNQSLHHSA-N 1 0 625.744 2.429 1 0 KEAFRO CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H]2C[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CC[N@@H+]4CC3CC3)[C@@H](O6)C2=O)c1 ZINC000169694476 562865301 /nfs/dbraw/zinc/86/53/01/562865301.db2.gz VFZWXANKGZKMBN-XQUFHJPDSA-N 1 0 625.744 2.429 1 0 KEAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H]([NH+](CCO)CCO)CC1 ZINC000169699384 562867551 /nfs/dbraw/zinc/86/75/51/562867551.db2.gz YCLYGIDVMQFLRJ-HNNXBMFYSA-N 1 0 535.621 2.302 1 0 KEAFRO CS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3CCN(C(=O)C[C@@H]([NH3+])Cc4cc(F)c(F)cc4F)[C@@H]3C2)c1 ZINC000169703976 562868908 /nfs/dbraw/zinc/86/89/08/562868908.db2.gz USIYDIOPKBFAMU-GIMINZRKSA-N 1 0 509.550 2.140 1 0 KEAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCCNC(=O)c3cccc(c3)C(=O)NCCCC[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000169710821 562870752 /nfs/dbraw/zinc/87/07/52/562870752.db2.gz FYBDWVPJOGSTDV-XZWHSSHBSA-N 1 0 689.839 2.074 1 0 KEAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1[C@H]1CCCOC1 ZINC000204057926 562874356 /nfs/dbraw/zinc/87/43/56/562874356.db2.gz ABAXEAIRGMFJEO-ZCNNSNEGSA-N 1 0 504.595 2.200 1 0 KEAFRO CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000204199538 562874374 /nfs/dbraw/zinc/87/43/74/562874374.db2.gz ZJLYONIWSJARJS-IDNYDCHQSA-N 1 0 579.742 2.424 1 0 KEAFRO CO[C@@H]1COCC[C@@H]1[N@H+](CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000205372155 562875239 /nfs/dbraw/zinc/87/52/39/562875239.db2.gz DZNKRRCJQVRIHF-VBLNTBNVSA-N 1 0 527.584 2.411 1 0 KEAFRO O=c1ccc(-c2cccc(F)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CC[NH+](CCO)CC4)c3)cn2)CCO1 ZINC000205720524 562875771 /nfs/dbraw/zinc/87/57/71/562875771.db2.gz KARZYTQDIOCJQW-SANMLTNESA-N 1 0 560.634 2.238 1 0 KEAFRO COc1ccc2ncc(F)c(C[C@H](OCCO)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000206097079 562876266 /nfs/dbraw/zinc/87/62/66/562876266.db2.gz JYAXIFARIIREEV-ZJOVHXHXSA-N 1 0 553.591 2.295 1 0 KEAFRO COc1ccc2ncc(F)c(C[C@@H](OCCO)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000206097103 562876250 /nfs/dbraw/zinc/87/62/50/562876250.db2.gz JYAXIFARIIREEV-BQEUZBSESA-N 1 0 553.591 2.295 1 0 KEAFRO CC(C)C[C@H](NC(=O)c1cc2c([nH]c1=O)C[C@]13CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc41)[C@@H]3C2)C(N)=O ZINC000218935160 562877949 /nfs/dbraw/zinc/87/79/49/562877949.db2.gz AKGVNGUYTQRYQL-HLNVOFQHSA-N 1 0 518.658 2.404 1 0 KEAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](C)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221211358 562878849 /nfs/dbraw/zinc/87/88/49/562878849.db2.gz 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562891855 /nfs/dbraw/zinc/89/18/55/562891855.db2.gz BNRIWCDLLBDOQL-WNMGUVTHSA-N 1 0 523.977 2.239 1 0 KEAFRO [NH3+]CCCCCC(=O)N1CCN(c2nc(-n3c4ccccc4nc3C(F)F)nc(N3CCOCC3)n2)CC1 ZINC000299856367 562891933 /nfs/dbraw/zinc/89/19/33/562891933.db2.gz BPMXJXPDTCFYSE-UHFFFAOYSA-N 1 0 529.596 2.152 1 0 KEAFRO CCCC[C@H](NC(=O)[C@H]1CC[C@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]([NH3+])C[C@H]1C(N)=O ZINC000299859120 562892589 /nfs/dbraw/zinc/89/25/89/562892589.db2.gz HNQHMECPKRTTRV-IEJKQUADSA-N 1 0 659.807 2.432 1 0 KEAFRO COc1ccc2ncc(C(N)=O)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000299859371 562892692 /nfs/dbraw/zinc/89/26/92/562892692.db2.gz HUZAEGYWJGCUSP-UHFFFAOYSA-N 1 0 518.574 2.267 1 0 KEAFRO Cn1c2nc3n(ccc(=O)n3CCCCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c(=O)n(C)c1=O ZINC000299861113 562893154 /nfs/dbraw/zinc/89/31/54/562893154.db2.gz KJYXIZKESDABBW-UHFFFAOYSA-N 1 0 546.459 2.346 1 0 KEAFRO O=c1ccc2nc(Cl)c(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299861906 562893469 /nfs/dbraw/zinc/89/34/69/562893469.db2.gz IUXGIZBYBCQVPB-WNMGUVTHSA-N 1 0 541.967 2.378 1 0 KEAFRO Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)NCCc3ccccc3)CC2)cc1 ZINC000299862924 562893688 /nfs/dbraw/zinc/89/36/88/562893688.db2.gz KIHAJEXVFZMZHQ-MHZLTWQESA-N 1 0 576.723 2.265 1 0 KEAFRO CC(=O)N[C@H]1Cc2c3ccccc3[nH]c2CN([C@H](Cc2ccc(Br)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O ZINC000299862992 562893745 /nfs/dbraw/zinc/89/37/45/562893745.db2.gz OHCPZTLEXGQYJG-UJWBSGRQSA-N 1 0 825.769 2.373 1 0 KEAFRO O[C@@H]1C[NH2+][C@H](Cc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@H](O)[C@H]1O ZINC000299864355 562894126 /nfs/dbraw/zinc/89/41/26/562894126.db2.gz MGMUKXIKROCOQT-GKQHHHCTSA-N 1 0 516.598 2.081 1 0 KEAFRO O=c1cc(Cl)c2ncc(F)c3c2n1C[C@]3(O)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299864785 562894182 /nfs/dbraw/zinc/89/41/82/562894182.db2.gz MUVLFYWITPNNIQ-NRUKRLKBSA-N 1 0 541.967 2.378 1 0 KEAFRO O=c1cc(Cl)c2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299864786 562894214 /nfs/dbraw/zinc/89/42/14/562894214.db2.gz MUVLFYWITPNNIQ-WNMGUVTHSA-N 1 0 541.967 2.378 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(C[C@@]5(O)Cn6c7c5c(F)cnc7cc(Cl)c6=O)(CC3)OC4)nc2N1 ZINC000299869169 562895260 /nfs/dbraw/zinc/89/52/60/562895260.db2.gz UCFPGZPJOPBWCJ-NRUKRLKBSA-N 1 0 541.967 2.378 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7cc(Cl)c6=O)(CC3)OC4)nc2N1 ZINC000299869170 562895264 /nfs/dbraw/zinc/89/52/64/562895264.db2.gz UCFPGZPJOPBWCJ-WNMGUVTHSA-N 1 0 541.967 2.378 1 0 KEAFRO Cc1cc(=O)n2c3c(c(F)cnc31)[C@](O)(CC13CCC([NH2+]Cc4ccc5c(n4)NC(=O)CO5)(CC1)CO3)C2 ZINC000299869200 562895257 /nfs/dbraw/zinc/89/52/57/562895257.db2.gz UFWXZRLMXBJWAN-RCSZBHJWSA-N 1 0 521.549 2.033 1 0 KEAFRO Cc1cc(=O)n2c3c(c(F)cnc31)[C@@](O)(CC13CCC([NH2+]Cc4ccc5c(n4)NC(=O)CO5)(CC1)CO3)C2 ZINC000299869201 562895276 /nfs/dbraw/zinc/89/52/76/562895276.db2.gz UFWXZRLMXBJWAN-WZDPVOGJSA-N 1 0 521.549 2.033 1 0 KEAFRO O=C(Nc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=[NH+]CCN4)c3)cc2)cc1 ZINC000299869688 562895362 /nfs/dbraw/zinc/89/53/62/562895362.db2.gz VDJZRXHEHFGSJF-DUCQPWDXSA-N 1 0 638.677 2.387 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299870869 562895563 /nfs/dbraw/zinc/89/55/63/562895563.db2.gz WZOVPMNMAHNKMI-CPDVWBMRSA-N 1 0 691.829 2.306 1 0 KEAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299870870 562895570 /nfs/dbraw/zinc/89/55/70/562895570.db2.gz WZOVPMNMAHNKMI-YQYWCZHNSA-N 1 0 691.829 2.306 1 0 KEAFRO 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@@H](O)C(N)=O ZINC000299871147 562895624 /nfs/dbraw/zinc/89/56/24/562895624.db2.gz XXHDQECBMIICAI-CPDVWBMRSA-N 1 0 691.829 2.306 1 0 KEAFRO 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@H](O)C(N)=O ZINC000299871148 562895629 /nfs/dbraw/zinc/89/56/29/562895629.db2.gz XXHDQECBMIICAI-XLIVJYPCSA-N 1 0 691.829 2.306 1 0 KEAFRO 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@H](O)C(N)=O ZINC000299871149 562895659 /nfs/dbraw/zinc/89/56/59/562895659.db2.gz XXHDQECBMIICAI-XYPUQJIVSA-N 1 0 691.829 2.306 1 0 KEAFRO 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@@H](O)C(N)=O ZINC000299871150 562895621 /nfs/dbraw/zinc/89/56/21/562895621.db2.gz XXHDQECBMIICAI-YQYWCZHNSA-N 1 0 691.829 2.306 1 0 KEAFRO CCCCC[C@H](OC(=O)CC(=O)N1CCN([N+](O)=NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848784 562896365 /nfs/dbraw/zinc/89/63/65/562896365.db2.gz CFNKTSBPJDNLBM-AWEZNQCLSA-N 1 0 583.254 2.215 1 0 KEAFRO CCCCC[C@@H](OC(=O)CC(=O)N1CCN([N+](O)=NOC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000377848785 562896347 /nfs/dbraw/zinc/89/63/47/562896347.db2.gz CFNKTSBPJDNLBM-CQSZACIVSA-N 1 0 583.254 2.215 1 0 KEAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2C[C@@H](O)CC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000472866822 562896620 /nfs/dbraw/zinc/89/66/20/562896620.db2.gz VEVTYHWFAKZKCL-DVCLJZNLSA-N 1 0 686.854 2.063 1 0 KEAFRO 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]([NH+](C)C)[C@@H]23)cc1 ZINC000473087636 562897196 /nfs/dbraw/zinc/89/71/96/562897196.db2.gz GCBYFJIPPYEMBR-RXQXDSFGSA-N 1 0 605.754 2.342 1 0 KEAFRO CC[NH2+][C@H]1CO[C@@H]2OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@H]12 ZINC000473087658 562897195 /nfs/dbraw/zinc/89/71/95/562897195.db2.gz GGTBWSHAZPXYLQ-RXQXDSFGSA-N 1 0 605.754 2.390 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC[C@H](O)CO)nc65)(CC3)OC4)nc2N1 ZINC000473107389 562898308 /nfs/dbraw/zinc/89/83/08/562898308.db2.gz ITDGSGSKYMTULC-QKAIUURXSA-N 1 0 553.591 2.031 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OC[C@@H](O)CO)nc65)(CC3)OC4)nc2N1 ZINC000473107393 562898306 /nfs/dbraw/zinc/89/83/06/562898306.db2.gz ITDGSGSKYMTULC-WBZDIBOQSA-N 1 0 553.591 2.031 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC(CO)CO)nc65)(CC3)OC4)nc2N1 ZINC000473109539 562898476 /nfs/dbraw/zinc/89/84/76/562898476.db2.gz SRFDOXHDVGOKQO-UHFFFAOYSA-N 1 0 567.618 2.279 1 0 KEAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CN(C)C)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000473114039 562898877 /nfs/dbraw/zinc/89/88/77/562898877.db2.gz IHLYXAQSLYMEDP-QQJYNPJZSA-N 1 0 508.531 2.315 1 0 KEAFRO NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000473114365 562898899 /nfs/dbraw/zinc/89/88/99/562898899.db2.gz NDGJMPWMWPSJRP-SYKYGTKKSA-N 1 0 645.160 2.328 1 0 KEAFRO NC(=O)[C@H](Cc1ccc(I)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000473115552 562899035 /nfs/dbraw/zinc/89/90/35/562899035.db2.gz UGWCVPKFCDZRMQ-SYKYGTKKSA-N 1 0 736.611 2.279 1 0 KEAFRO NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000473117342 562899201 /nfs/dbraw/zinc/89/92/01/562899201.db2.gz YSYBERPSCYURRG-SYKYGTKKSA-N 1 0 689.611 2.437 1 0 KEAFRO Cc1cc(Nc2ncc(-c3nc(-c4ccccc4)cs3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)[nH+]1 ZINC000473126224 562899731 /nfs/dbraw/zinc/89/97/31/562899731.db2.gz ZZAHNCINSQBRFG-TYFWRSTJSA-N 1 0 504.616 2.381 1 0 KEAFRO C=CC(=O)N[C@@H]1CN(c2nc3c(ncn3C(C)C)c(Nc3cn([C@@H]4CC[N@H+](C)C4)nc3OC)n2)C[C@H]1F ZINC000473133708 562900389 /nfs/dbraw/zinc/90/03/89/562900389.db2.gz BSFRRHNDBNCWNZ-BRWVUGGUSA-N 1 0 512.594 2.061 1 0 KEAFRO C=CC(=O)N[C@@H]1CN(c2nc3c(ncn3C(C)C)c(Nc3cn([C@H]4CC[N@H+](C)C4)nc3OC)n2)C[C@H]1F ZINC000473133709 562900404 /nfs/dbraw/zinc/90/04/04/562900404.db2.gz BSFRRHNDBNCWNZ-GVDBMIGSSA-N 1 0 512.594 2.061 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ncc(OCc6ccccn6)cc54)CC3)nc2N1 ZINC000473169226 562903136 /nfs/dbraw/zinc/90/31/36/562903136.db2.gz MNWIDQPCFXVVRZ-UHFFFAOYSA-N 1 0 541.612 2.351 1 0 KEAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1OC ZINC000473170795 562903160 /nfs/dbraw/zinc/90/31/60/562903160.db2.gz PPWPHWDYVRNZPM-FIKGOQFSSA-N 1 0 504.526 2.070 1 0 KEAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c1OC ZINC000473170800 562903196 /nfs/dbraw/zinc/90/31/96/562903196.db2.gz PPWPHWDYVRNZPM-FVJLSDCUSA-N 1 0 504.526 2.070 1 0 KEAFRO O=C1COc2ccc(C[NH2+]C3CCN(CCn4c(=O)ccc5ccc(Oc6ccon6)nc54)CC3)nc2N1 ZINC000473171714 562903254 /nfs/dbraw/zinc/90/32/54/562903254.db2.gz VCZYGEUXYUDQEA-UHFFFAOYSA-N 1 0 517.546 2.157 1 0 KEAFRO C#[N+]c1cc([C@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c(F)cc1OC ZINC000473179405 562903377 /nfs/dbraw/zinc/90/33/77/562903377.db2.gz KTJYUESWBDTEQG-LPXYKDPNSA-N 1 0 504.526 2.070 1 0 KEAFRO C#[N+]c1cc([C@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ccc54)C[C@@H]3CO2)c(F)cc1OC ZINC000473179406 562903368 /nfs/dbraw/zinc/90/33/68/562903368.db2.gz KTJYUESWBDTEQG-QDOIMOTRSA-N 1 0 504.526 2.070 1 0 KEAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ncc54)C[C@@H]3CO2)c1Cl ZINC000473179407 562903361 /nfs/dbraw/zinc/90/33/61/562903361.db2.gz KWBYMUBAIAICGT-BIENJYKASA-N 1 0 509.933 2.110 1 0 KEAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ncc54)C[C@@H]3CO2)c1Cl ZINC000473179408 562903380 /nfs/dbraw/zinc/90/33/80/562903380.db2.gz KWBYMUBAIAICGT-LPMFXHHGSA-N 1 0 509.933 2.110 1 0 KEAFRO C#[N+]c1c(F)ccc([C@H]2CN3CCN(C(=O)[C@@H]4CCc5nc(-n6cnnn6)ncc54)C[C@@H]3CO2)c1Cl ZINC000473179409 562903358 /nfs/dbraw/zinc/90/33/58/562903358.db2.gz KWBYMUBAIAICGT-PJIJBLCYSA-N 1 0 509.933 2.110 1 0 KEAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5nc(-n6cnnn6)ncc54)C[C@@H]3CO2)c1Cl ZINC000473179410 562903355 /nfs/dbraw/zinc/90/33/55/562903355.db2.gz KWBYMUBAIAICGT-TYILLQQXSA-N 1 0 509.933 2.110 1 0 KEAFRO C#[N+]c1ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c(OC)c1F ZINC000473179526 562903362 /nfs/dbraw/zinc/90/33/62/562903362.db2.gz MSCSJFYXZNAXNO-FIKGOQFSSA-N 1 0 504.526 2.070 1 0 KEAFRO C#[N+]c1ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CO2)c(OC)c1F ZINC000473179527 562903383 /nfs/dbraw/zinc/90/33/83/562903383.db2.gz MSCSJFYXZNAXNO-FVJLSDCUSA-N 1 0 504.526 2.070 1 0 KEAFRO C#[N+]c1c(C)c([C@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@@H]3CO2)ccc1OC ZINC000473179602 562903445 /nfs/dbraw/zinc/90/34/45/562903445.db2.gz XOBWXKWLNFYMLG-KKLQWCBXSA-N 1 0 500.563 2.239 1 0 KEAFRO C#[N+]c1c(C)c([C@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@@H]3CO2)ccc1OC ZINC000473179603 562903387 /nfs/dbraw/zinc/90/33/87/562903387.db2.gz XOBWXKWLNFYMLG-QMHWCDLVSA-N 1 0 500.563 2.239 1 0 KEAFRO O=C(c1nn([C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000473215508 562904043 /nfs/dbraw/zinc/90/40/43/562904043.db2.gz UINYBYLWBAMMPE-MSOLQXFVSA-N 1 0 518.611 2.122 1 0 KEAFRO O=C(c1nn([C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000473215509 562904099 /nfs/dbraw/zinc/90/40/99/562904099.db2.gz UINYBYLWBAMMPE-QZTJIDSGSA-N 1 0 518.611 2.122 1 0 KEAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C ZINC000473224147 562904195 /nfs/dbraw/zinc/90/41/95/562904195.db2.gz JICMITPNTOPAGH-IIZANFQQSA-N 1 0 596.769 2.489 1 0 KEAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C ZINC000473224148 562904158 /nfs/dbraw/zinc/90/41/58/562904158.db2.gz JICMITPNTOPAGH-MYSYHGOYSA-N 1 0 596.769 2.489 1 0 KEAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@@H]2OC)c1)C(=O)NCC(C)C ZINC000473224149 562904193 /nfs/dbraw/zinc/90/41/93/562904193.db2.gz JICMITPNTOPAGH-MZBLVXSRSA-N 1 0 596.769 2.489 1 0 KEAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N2CCC[C@H]2OC)c1)C(=O)NCC(C)C ZINC000473224150 562904162 /nfs/dbraw/zinc/90/41/62/562904162.db2.gz JICMITPNTOPAGH-QBHLCAJUSA-N 1 0 596.769 2.489 1 0 KEAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000473233268 562904505 /nfs/dbraw/zinc/90/45/05/562904505.db2.gz ZIEVAMMZKBNDFB-FLSHTEMJSA-N 1 0 695.883 2.387 1 0 KEAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O ZINC000473233270 562904535 /nfs/dbraw/zinc/90/45/35/562904535.db2.gz ZIEVAMMZKBNDFB-GVMWBJRDSA-N 1 0 695.883 2.387 1 0 KEAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O ZINC000473233272 562904528 /nfs/dbraw/zinc/90/45/28/562904528.db2.gz ZIEVAMMZKBNDFB-PWBHAQCXSA-N 1 0 695.883 2.387 1 0 KEAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000473233274 562904509 /nfs/dbraw/zinc/90/45/09/562904509.db2.gz ZIEVAMMZKBNDFB-TVKIDPSDSA-N 1 0 695.883 2.387 1 0 KEAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653724729 562908944 /nfs/dbraw/zinc/90/89/44/562908944.db2.gz DSPSRDPXLLWIRH-KECWCRPSSA-N 1 0 667.852 2.326 1 0 KEAFRO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])S(=O)(=O)Cc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 ZINC000653726393 562909117 /nfs/dbraw/zinc/90/91/17/562909117.db2.gz NVAFQHSWUPRXOI-KECWCRPSSA-N 1 0 672.893 2.015 1 0 KEAFRO CN1CCN(C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N[C@H](C=CS(=O)(=O)c2ccccc2)CCc2ccccc2)CC1 ZINC000653735544 562909642 /nfs/dbraw/zinc/90/96/42/562909642.db2.gz JTWHTZKZQQVQIN-GTBTXRJPSA-N 1 0 597.786 2.071 1 0 KEAFRO COc1cnc(-n2cnc(C)n2)c2[nH]cc(C(=O)C(=O)N3CCc4c(nc(NCC[NH+](C)C)nc4-c4ccccn4)C3)c21 ZINC000653781794 562912195 /nfs/dbraw/zinc/91/21/95/562912195.db2.gz WVIDPSWMNHJGEE-UHFFFAOYSA-N 1 0 581.641 2.054 1 0 KEAFRO COc1nnc(OCCCC(=O)NCCCCCCNC(=O)[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(ccc5O)C[C@H]3[N@@H+](C)CC[C@]624)nn1 ZINC000653803768 562913542 /nfs/dbraw/zinc/91/35/42/562913542.db2.gz WAGOKBIKBJNMMA-GPTYAFMUSA-N 1 0 665.792 2.077 1 0 KEAFRO CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC[NH+](C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653856807 562915752 /nfs/dbraw/zinc/91/57/52/562915752.db2.gz AOFRCBZSANQULA-NRFANRHFSA-N 1 0 545.706 2.486 1 0 KEAFRO CCc1cc(-c2noc(-c3cc(C)nc(C[NH+]4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653856992 562915781 /nfs/dbraw/zinc/91/57/81/562915781.db2.gz FYXWPURTCJZKBL-QHCPKHFHSA-N 1 0 509.607 2.422 1 0 KEAFRO CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1ccc(NCCCCCNC(=O)[C@@H]([NH3+])CCC(N)=O)nc1)c2SCCCO ZINC000653858599 562915860 /nfs/dbraw/zinc/91/58/60/562915860.db2.gz CRGCFNZOCHFAGP-QHCPKHFHSA-N 1 0 614.817 2.143 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(OC2CC[NH2+]CC2)c(OC)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000653858797 562915914 /nfs/dbraw/zinc/91/59/14/562915914.db2.gz YZHAKWIDOWLUNK-FTESWJSKSA-N 1 0 780.968 2.062 1 0 KEAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(OC2CC[NH2+]CC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000653866595 562916189 /nfs/dbraw/zinc/91/61/89/562916189.db2.gz FZRGXXPJQBAEEG-FBUQYSLZSA-N 1 0 750.942 2.053 1 0 KEAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1CC(=O)N1CCCC1 ZINC000653887167 562917048 /nfs/dbraw/zinc/91/70/48/562917048.db2.gz ZGTDUWFAUIUOJO-UHFFFAOYSA-N 1 0 506.655 2.275 1 0 KEAFRO CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1ccnc(NCCCCCNC(=O)[C@@H]([NH3+])CCC(N)=O)c1)c2SCCCO ZINC000653905132 562917565 /nfs/dbraw/zinc/91/75/65/562917565.db2.gz CPRQBHKSSZWVHI-QHCPKHFHSA-N 1 0 614.817 2.143 1 0 KEAFRO O=C(Nc1snnc1C(=O)N1CCC([NH+]2CCCCC2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000033435755 553960194 /nfs/dbraw/zinc/96/01/94/553960194.db2.gz IHRNKMCDZIXXFY-ZWKOTPCHSA-N 1 0 511.652 2.442 2 0 KEAFRO CCOC(=O)c1c2cc(OC[C@H](O)C[NH2+]C(CO)(CO)CO)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000008397119 561705495 /nfs/dbraw/zinc/70/54/95/561705495.db2.gz BGLRXOLRLKQLGH-QGZVFWFLSA-N 1 0 597.528 2.455 3 0 KEAFRO CCOC(=O)c1c2cc(OC[C@@H](O)C[NH2+]C(CO)(CO)CO)c(Br)cc2n(C)c1CSc1ccccc1 ZINC000008397123 561705473 /nfs/dbraw/zinc/70/54/73/561705473.db2.gz BGLRXOLRLKQLGH-KRWDZBQOSA-N 1 0 597.528 2.455 3 0 KEAFRO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCC([NH+]5CCCCC5)CC4)nc(C)n3n2)cc1 ZINC000009728005 561709208 /nfs/dbraw/zinc/70/92/08/561709208.db2.gz FKZFFDBDALLXPR-UHFFFAOYSA-N 1 0 521.666 2.332 3 0 KEAFRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc21 ZINC000013521294 561716984 /nfs/dbraw/zinc/71/69/84/561716984.db2.gz UTAIYPADJIPETB-CJFMBICVSA-N 1 0 512.676 2.476 3 0 KEAFRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000013521298 561717019 /nfs/dbraw/zinc/71/70/19/561717019.db2.gz UTAIYPADJIPETB-NBGIEHNGSA-N 1 0 512.676 2.476 3 0 KEAFRO NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(CC[NH+]4CCCCC4)nn32)cc1 ZINC000017356917 561755101 /nfs/dbraw/zinc/75/51/01/561755101.db2.gz UVHQKRMKRABMMB-UHFFFAOYSA-N 1 0 553.714 2.404 3 0 KEAFRO [NH3+]CCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CC[NH2+]CC1)n1cc(CCCC(=O)[O-])nn1 ZINC000036386737 562060093 /nfs/dbraw/zinc/06/00/93/562060093.db2.gz HUPTUBNVJZIWHC-DEOSSOPVSA-N 1 0 535.734 2.414 3 0 KEAFRO [NH3+]CCCCCc1cn([C@@H](CCC(=O)[O-])C(=O)NCCCCCCCCCCC(=O)N2CC[NH2+]CC2)nn1 ZINC000036386760 562060080 /nfs/dbraw/zinc/06/00/80/562060080.db2.gz XHJNINHMLXXLMY-DEOSSOPVSA-N 1 0 535.734 2.414 3 0 KEAFRO CCc1nc2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)cn2c1N(CCC(C)C)CC[NH+](C)C ZINC000061902902 562702988 /nfs/dbraw/zinc/70/29/88/562702988.db2.gz VSGYFRCHNMPNDQ-UHFFFAOYSA-N 1 0 506.717 2.418 3 0 KEAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)CC[NH+]2CCCCC2)Oc2ncc(Br)cc2C1=O ZINC000061922060 562703295 /nfs/dbraw/zinc/70/32/95/562703295.db2.gz DNMYRNUHMMTBBI-UWVAXJGDSA-N 1 0 511.461 2.399 3 0 KEAFRO Nc1ccn([C@@H]2O[C@H](C[NH2+]Cc3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)[C@@H](O)[C@H]2O)c(=O)n1 ZINC000061922366 562703321 /nfs/dbraw/zinc/70/33/21/562703321.db2.gz QQEKEVVBRWILGY-NXWXRZEISA-N 1 0 500.861 2.167 3 0 KEAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc3c2OCCCO3)OCc2cnnn2CCCC1=O ZINC000061945406 562703840 /nfs/dbraw/zinc/70/38/40/562703840.db2.gz XBPVHNZVBFLVIV-REHUZNOOSA-N 1 0 501.628 2.096 3 0 KEAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2cccc3c2OCCCO3)OCc2cnnn2CCCC1=O ZINC000061945407 562703837 /nfs/dbraw/zinc/70/38/37/562703837.db2.gz XBPVHNZVBFLVIV-NMMYMHLASA-N 1 0 501.628 2.096 3 0 KEAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc3c2OCCCO3)OCc2cnnn2CCCC1=O ZINC000061945803 562703895 /nfs/dbraw/zinc/70/38/95/562703895.db2.gz XBPVHNZVBFLVIV-MZLICYQSSA-N 1 0 501.628 2.096 3 0 KEAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000061947721 562704071 /nfs/dbraw/zinc/70/40/71/562704071.db2.gz SUTUGBKEWRRBJZ-XLNZFTOWSA-N 1 0 513.643 2.044 3 0 KEAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000061947817 562704179 /nfs/dbraw/zinc/70/41/79/562704179.db2.gz BIPWQDPXNYPYPT-OBWXTZQISA-N 1 0 519.620 2.139 3 0 KEAFRO CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000061959239 562704310 /nfs/dbraw/zinc/70/43/10/562704310.db2.gz RFTHIFZJFSVMAT-IRXDYDNUSA-N 1 0 509.648 2.465 3 0 KEAFRO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000064732455 562709064 /nfs/dbraw/zinc/70/90/64/562709064.db2.gz GKOKXRAAFLUGTK-HZNDVDBESA-N 1 0 590.769 2.333 3 0 KEAFRO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000064732458 562709061 /nfs/dbraw/zinc/70/90/61/562709061.db2.gz GKOKXRAAFLUGTK-CBBCSGBYSA-N 1 0 590.769 2.333 3 0 KEAFRO C[NH+](C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000072141096 562729304 /nfs/dbraw/zinc/72/93/04/562729304.db2.gz YTEBFNIDBCBVKZ-RENKFEOJSA-N 1 0 544.096 2.374 3 0 KEAFRO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072141097 562729274 /nfs/dbraw/zinc/72/92/74/562729274.db2.gz NIOZDVACMCXBDP-QEMZGQDQSA-N 1 0 620.795 2.341 3 0 KEAFRO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072141098 562729285 /nfs/dbraw/zinc/72/92/85/562729285.db2.gz NIOZDVACMCXBDP-GYHLDHQBSA-N 1 0 620.795 2.341 3 0 KEAFRO 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)C2CC2)CC1 ZINC000072158227 562730180 /nfs/dbraw/zinc/73/01/80/562730180.db2.gz GZYALCAOVVSRPA-BOCHCHAHSA-N 1 0 689.902 2.354 3 0 KEAFRO C[NH+](C)CCN1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095600289 562778790 /nfs/dbraw/zinc/77/87/90/562778790.db2.gz YNOCWZKHFZCVGE-SANMLTNESA-N 1 0 500.607 2.250 3 0 KEAFRO C[NH+](C)CCN1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095600290 562778792 /nfs/dbraw/zinc/77/87/92/562778792.db2.gz YNOCWZKHFZCVGE-AREMUKBSSA-N 1 0 500.607 2.250 3 0 KEAFRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[N@H+]3CCCC[C@@H]3C)ccc21 ZINC000169301192 562852885 /nfs/dbraw/zinc/85/28/85/562852885.db2.gz UTAIYPADJIPETB-CPJSRVTESA-N 1 0 512.676 2.476 3 0 KEAFRO CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCC[N@H+]3CCCC[C@H]3C)ccc21 ZINC000252204182 562881694 /nfs/dbraw/zinc/88/16/94/562881694.db2.gz UTAIYPADJIPETB-NLFFAJNJSA-N 1 0 512.676 2.476 3 0 KEAFRO