smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)nc2)ccc1C[NH+]1CCCC1 ZINC000003814152 561682855 /nfs/dbraw/zinc/68/28/55/561682855.db2.gz NDHOVFBCDTWFEE-UHFFFAOYSA-N 2 0 543.733 6.339 1 0 KKAFRP O[C@@]12C=C([C@@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000003919431 561685601 /nfs/dbraw/zinc/68/56/01/561685601.db2.gz XKUVHUCZHJQMJW-YKFBYAIZSA-N 3 0 552.807 6.037 1 0 KKAFRP c1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCCC2CC[NH+](CCC3CCCCC3)CC2)cc1 ZINC000003950915 561690491 /nfs/dbraw/zinc/69/04/91/561690491.db2.gz QEMMYJGXBJYPAB-UHFFFAOYSA-N 2 0 600.892 8.333 1 0 KKAFRP Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CC[NH2+]CC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000003952711 561690695 /nfs/dbraw/zinc/69/06/95/561690695.db2.gz LKYROHSDJOKURS-UHFFFAOYSA-N 2 0 540.708 5.716 1 0 KKAFRP C[NH+](C)CCSc1cccc(-c2cc(-c3cccc(SCC[NH+](C)C)c3)nc(SCC[NH+](C)C)n2)c1 ZINC000005809357 561698355 /nfs/dbraw/zinc/69/83/55/561698355.db2.gz SBSYEFHUQYUCED-UHFFFAOYSA-N 3 0 541.856 5.772 1 0 KKAFRP Oc1ccc(Cl)cc1C1=NC(NCNC2=[NH+][C@H](c3ccccc3)CC(c3cc(Cl)ccc3O)=N2)=[NH+][C@@H](c2ccccc2)C1 ZINC000006019051 561702002 /nfs/dbraw/zinc/70/20/02/561702002.db2.gz RTEOWMPXDIYBMX-MKPDMIMOSA-N 2 0 611.533 6.822 1 0 KKAFRP C[C@]12CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@]1(c1cccc(O)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000013677952 561724329 /nfs/dbraw/zinc/72/43/29/561724329.db2.gz KUXXTJDLTCNNFH-KTCJXSDQSA-N 2 0 517.758 5.520 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@@H]3CCCC[NH2+]3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780302 561729014 /nfs/dbraw/zinc/72/90/14/561729014.db2.gz VPLRZVPDJKVALG-UPVQGACJSA-N 2 0 511.110 5.960 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@H]3CCCC[NH2+]3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780307 561729053 /nfs/dbraw/zinc/72/90/53/561729053.db2.gz MZDQVOUAJWXYFT-UKILVPOCSA-N 2 0 525.137 6.350 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@@H]3CCCC[NH2+]3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780304 561729066 /nfs/dbraw/zinc/72/90/66/561729066.db2.gz VPLRZVPDJKVALG-VWNXMTODSA-N 2 0 511.110 5.960 1 0 KKAFRP O[C@@H]1C[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(I)c2)C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000013799377 561730364 /nfs/dbraw/zinc/73/03/64/561730364.db2.gz VBFROMGJGLRPSF-MIRJVGOZSA-N 2 0 530.494 5.275 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000014946309 561743456 /nfs/dbraw/zinc/74/34/56/561743456.db2.gz IXRJZUFMXJZPOC-UHFFFAOYSA-N 2 0 547.574 8.932 1 0 KKAFRP C[C@H]([NH3+])COC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1c2ccc3ccccc3c2[nH]c1-c1ccc2ccccc2c1 ZINC000014952349 561746434 /nfs/dbraw/zinc/74/64/34/561746434.db2.gz NFVRGDRCCNEGBS-LGGPFLRQSA-N 2 0 536.676 5.188 1 0 in-vitro KKAFRP CCOc1ccc(CCN2C(=O)C(=O)N([C@H](CCC[N@H+](C)Cc3ccccc3)C[NH2+]Cc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC000017376890 561755092 /nfs/dbraw/zinc/75/50/92/561755092.db2.gz ZWSBFXXFYHLPGI-VLZNPVHKSA-N 2 0 598.832 5.394 3 0 KKAFRP COc1ccc2cc(C[NH2+]CCCN3CCN(CCC[NH2+]Cc4ccc5cc(OC)ccc5c4)CC3)ccc2c1 ZINC000019370351 561758575 /nfs/dbraw/zinc/75/85/75/561758575.db2.gz CZEZGOBQJKVGIS-UHFFFAOYSA-N 2 0 540.752 5.287 1 0 KKAFRP Cc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026573173 561798583 /nfs/dbraw/zinc/79/85/83/561798583.db2.gz WRPGCNPNDFPUQN-UHFFFAOYSA-N 2 0 540.773 7.417 1 0 KKAFRP O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CC[NH+](Cc4ccccc4)CC3)ccc1-2 ZINC000026649908 561808145 /nfs/dbraw/zinc/80/81/45/561808145.db2.gz JOBCIGYIYJEURT-UHFFFAOYSA-N 2 0 670.858 5.191 1 0 KKAFRP CCN(C(=O)OCc1ccccc1)C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026653511 561808751 /nfs/dbraw/zinc/80/87/51/561808751.db2.gz YENQPZRMKBJCFS-XDFJSJKPSA-N 2 0 511.710 6.025 1 0 KKAFRP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753100 561820157 /nfs/dbraw/zinc/82/01/57/561820157.db2.gz OPGSAPXNXKJRSG-MAZIBIHTSA-N 2 0 622.898 6.988 1 0 KKAFRP CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc21 ZINC000026818723 561820730 /nfs/dbraw/zinc/82/07/30/561820730.db2.gz NTRZJYSTUAKQDU-ANGMPHQKSA-N 2 0 727.951 5.438 1 0 KKAFRP CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993626 561832797 /nfs/dbraw/zinc/83/27/97/561832797.db2.gz IBLUYABUHMLNBC-UTEVTPAPSA-N 2 0 708.929 5.619 1 0 KKAFRP C[NH+](C)CC/C=C(/c1ccc(Cl)cc1)c1ccc(CCCc2ccc(/C(=C/CC[NH+](C)C)c3ccc(Cl)cc3)cc2)cc1 ZINC000027103610 561839419 /nfs/dbraw/zinc/83/94/19/561839419.db2.gz AJIRDGXQFQFHOO-IMZRBMHKSA-N 2 0 611.701 9.936 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209539 561846860 /nfs/dbraw/zinc/84/68/60/561846860.db2.gz PNVVVECFORQGCG-AFSDHNFUSA-N 2 0 633.790 5.619 1 0 KKAFRP C[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2c([nH+]c3cc(Cl)cc(Cl)c31)CCCC2 ZINC000027322447 561852845 /nfs/dbraw/zinc/85/28/45/561852845.db2.gz UBICYFGZMQMCLZ-UHFFFAOYSA-N 3 0 576.616 8.083 1 0 KKAFRP CC[NH+](CC)CCCCCCOC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OCCCCCC[NH+](CC)CC)ccc1-2 ZINC000027524225 561865540 /nfs/dbraw/zinc/86/55/40/561865540.db2.gz DVXXJOOLRHESOI-UHFFFAOYSA-N 2 0 578.794 7.016 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526320 561866290 /nfs/dbraw/zinc/86/62/90/561866290.db2.gz KTSCUAMGSPLOJT-SMSORMJASA-N 2 0 581.704 5.810 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](CCCc2ccccc2)CCCc2ccccc2)CC1 ZINC000027627877 561873430 /nfs/dbraw/zinc/87/34/30/561873430.db2.gz KTGHHSQYRLHFOU-UHFFFAOYSA-N 2 0 598.279 7.266 1 0 KKAFRP CC(C)[NH+](CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)C(C)C ZINC000027729300 561881149 /nfs/dbraw/zinc/88/11/49/561881149.db2.gz ICFYZEXPGQULBX-UHFFFAOYSA-N 2 0 556.816 8.131 1 0 KKAFRP Oc1ccc2sc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(Cc3ccc(O[C@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c2c1 ZINC000027858085 561886692 /nfs/dbraw/zinc/88/66/92/561886692.db2.gz IGYSVEXPLKWCJL-XDSPJLLDSA-N 2 0 610.864 8.515 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[N@@H+]3CCC[C@H]3CO)cc2)ccc1C[NH+]1CCCC1 ZINC000027879173 561888917 /nfs/dbraw/zinc/88/89/17/561888917.db2.gz GHEMVOFVZQDLMK-MHZLTWQESA-N 2 0 572.771 6.305 1 0 KKAFRP COC[C@@H]1CCC[N@@H+]1Cc1ccc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC000028226098 561907998 /nfs/dbraw/zinc/90/79/98/561907998.db2.gz QAADFUGORSBLGV-LJAQVGFWSA-N 2 0 570.799 7.259 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028456256 561923876 /nfs/dbraw/zinc/92/38/76/561923876.db2.gz QOVORVCMPAUEEK-BHVANESWSA-N 2 0 738.683 6.348 1 0 KKAFRP COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)[NH2+]C[C@@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028458417 561924414 /nfs/dbraw/zinc/92/44/14/561924414.db2.gz PWXFIVWHBYGMBN-RUPBQJJESA-N 2 0 607.195 6.489 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4cccc(Cl)c4)CC3)c2)C1C(=O)OC ZINC000028458501 561924483 /nfs/dbraw/zinc/92/44/83/561924483.db2.gz IKCFQTJZXOQWND-SVNRFNMRSA-N 2 0 596.128 5.141 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4OC(F)(F)F)CC3)c2)C1C(=O)OC ZINC000028462392 561925534 /nfs/dbraw/zinc/92/55/34/561925534.db2.gz ZQJNJZLKEZODQC-SVNRFNMRSA-N 2 0 645.679 5.386 1 0 KKAFRP Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(-c4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1 ZINC000028475746 561927960 /nfs/dbraw/zinc/92/79/60/561927960.db2.gz SCSGEFPVQAXRMV-UHFFFAOYSA-N 2 0 645.678 8.839 1 0 in-vivo KKAFRP COCCc1sc[n+](CCCCCCCCCCCCCCCC[n+]2csc(CCOC)c2C)c1C ZINC000028521228 561929314 /nfs/dbraw/zinc/92/93/14/561929314.db2.gz FTRZOGPGRJGBLW-UHFFFAOYSA-N 2 0 538.908 7.541 1 0 KKAFRP CC(C)(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522969 561929894 /nfs/dbraw/zinc/92/98/94/561929894.db2.gz HWYVOJAPSVGJAJ-YTTGMZPUSA-N 2 0 503.819 7.105 1 0 KKAFRP CC(C)(C)c1ccc([C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523546 561930266 /nfs/dbraw/zinc/93/02/66/561930266.db2.gz UOJQOOAVWIGUTE-GDLZYMKVSA-N 2 0 516.601 7.115 1 0 KKAFRP FC(F)(F)c1ccc([C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523953 561930609 /nfs/dbraw/zinc/93/06/09/561930609.db2.gz LBQJLYPJBGFFKQ-SANMLTNESA-N 2 0 528.490 6.836 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646353 561945088 /nfs/dbraw/zinc/94/50/88/561945088.db2.gz VFCUBGIDVRNDJS-UMSFTDKQSA-N 2 0 563.205 6.464 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028645976 561944827 /nfs/dbraw/zinc/94/48/27/561944827.db2.gz KDCUNRVJJBHDMD-UUWRZZSWSA-N 2 0 545.762 7.086 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646211 561944969 /nfs/dbraw/zinc/94/49/69/561944969.db2.gz FCNCDDRBEIHYQX-HKBQPEDESA-N 2 0 549.601 5.531 1 0 KKAFRP c1ccc2c(NCCCOc3ccc(CCNc4cc[nH+]c5ccccc45)cc3OCCCNc3cc[nH+]c4ccccc34)cc[nH+]c2c1 ZINC000028650141 561945932 /nfs/dbraw/zinc/94/59/32/561945932.db2.gz LCAWRNDINWAFGH-UHFFFAOYSA-N 3 0 648.811 8.748 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC(=O)Nc1ccc(CCc2ccc(NC(=O)CCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713744 561954251 /nfs/dbraw/zinc/95/42/51/561954251.db2.gz LCXUWGQUUVIMKB-UHFFFAOYSA-N 2 0 678.918 8.066 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCCN1CCN(CCC[N@H+]2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 561954430 /nfs/dbraw/zinc/95/44/30/561954430.db2.gz NZMWZADDZCMBCU-MQRFXWNGSA-N 2 0 678.966 5.020 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCC[NH+](C)Cc1cccc2ccccc21 ZINC000028714110 561954563 /nfs/dbraw/zinc/95/45/63/561954563.db2.gz ALCISMKSZCKHCH-KOFKOUSMSA-N 2 0 636.925 7.669 1 0 KKAFRP COc1ccccc1C[N@H+](C)CCCCCCCCCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714104 561954575 /nfs/dbraw/zinc/95/45/75/561954575.db2.gz BWSSOVPALRZCNH-GJITUFOTSA-N 2 0 616.891 6.524 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714103 561954694 /nfs/dbraw/zinc/95/46/94/561954694.db2.gz UXVMSZREGCXMRS-LNRBAWTCSA-N 2 0 615.907 6.691 1 0 KKAFRP O=C1c2cccc3c4sccc4cc(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000028772255 561961668 /nfs/dbraw/zinc/96/16/68/561961668.db2.gz MWKOTSVXJPMORM-UHFFFAOYSA-N 2 0 632.767 5.884 1 0 KKAFRP Clc1cccc([C@@H]([NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028822342 561966836 /nfs/dbraw/zinc/96/68/36/561966836.db2.gz KQRIKZLDGZORML-QNGWXLTQSA-N 3 0 645.723 6.748 1 0 KKAFRP CC(C)C[C@H]([NH2+]CCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823907 561968570 /nfs/dbraw/zinc/96/85/70/561968570.db2.gz BFYGPJBAPDERDU-LMSSTIIKSA-N 2 0 656.621 5.920 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873124 561974709 /nfs/dbraw/zinc/97/47/09/561974709.db2.gz KRKHKSLETVBBMO-UHFFFAOYSA-N 2 0 692.945 7.061 1 0 KKAFRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889967 561978207 /nfs/dbraw/zinc/97/82/07/561978207.db2.gz ZEVOVEIYFPOJLM-FFCVWOAGSA-N 2 0 563.117 6.402 1 0 KKAFRP C[NH+](C)[C@@H]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)C1 ZINC000028889771 561978212 /nfs/dbraw/zinc/97/82/12/561978212.db2.gz MUFWPNXNQNHXOU-HRRBBWQUSA-N 2 0 549.090 5.964 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccs4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953731 561982499 /nfs/dbraw/zinc/98/24/99/561982499.db2.gz OMXPTWYLAUIZEY-IZLXSDGUSA-N 2 0 543.221 5.462 1 0 KKAFRP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953981 561982726 /nfs/dbraw/zinc/98/27/26/561982726.db2.gz OZBJWYJPKIGZKH-JSOSNVBQSA-N 2 0 567.218 5.409 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cccc(F)c4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953971 561982754 /nfs/dbraw/zinc/98/27/54/561982754.db2.gz STPYEFLVJGTDLF-IHLOFXLRSA-N 2 0 555.182 5.540 1 0 KKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055760 561995003 /nfs/dbraw/zinc/99/50/03/561995003.db2.gz ZZKZUUMHRSWLQQ-FZNHDDJXSA-N 2 0 562.883 8.796 1 0 in-vivo KKAFRP Nc1[nH+]c2cc(Cl)c(Cl)cc2n1CCCCCCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029404646 562020428 /nfs/dbraw/zinc/02/04/28/562020428.db2.gz QJPBXHFVDCGTPB-UHFFFAOYSA-N 2 0 500.261 6.815 1 0 KKAFRP CCCN(CCC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546740 562030037 /nfs/dbraw/zinc/03/00/37/562030037.db2.gz LCBHQIDVXKUJSD-RNPORBBMSA-N 2 0 526.810 5.408 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(Nc2cc(N(CCC[NH+](C)C)C(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1 ZINC000036187629 562050752 /nfs/dbraw/zinc/05/07/52/562050752.db2.gz MLKNQJQJCGKORZ-UHFFFAOYSA-N 2 0 574.557 6.238 1 0 KKAFRP C[NH+]1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351706 562058984 /nfs/dbraw/zinc/05/89/84/562058984.db2.gz YBAMUENHBJVFDO-CLTMYIMISA-N 2 0 562.753 5.391 1 0 KKAFRP C[NH+]1CCC(CC2CCCCC2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157818 562069398 /nfs/dbraw/zinc/06/93/98/562069398.db2.gz NMKAUOMKZJYMKD-JHOUSYSJSA-N 2 0 620.282 5.181 1 0 KKAFRP CCN(CC)C(=S)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000038516389 562072002 /nfs/dbraw/zinc/07/20/02/562072002.db2.gz IGTFZSOMLHHHPK-UIOOFZCWSA-N 2 0 502.838 5.449 1 0 KKAFRP O=C(CC[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040407239 562075066 /nfs/dbraw/zinc/07/50/66/562075066.db2.gz CPGMTBMOKHIYAT-UZBSQRRVSA-N 2 0 516.726 5.351 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040421842 562075903 /nfs/dbraw/zinc/07/59/03/562075903.db2.gz UVDYJMKGYKBGSP-UHFFFAOYSA-N 3 0 535.780 7.557 1 0 KKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]CC2CCCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040892677 562082928 /nfs/dbraw/zinc/08/29/28/562082928.db2.gz ILOKCGSVWZJCQZ-WJOKGBTCSA-N 2 0 528.785 6.110 1 0 KKAFRP CCCC[C@@H]1C[N@H+](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040913529 562083690 /nfs/dbraw/zinc/08/36/90/562083690.db2.gz GJIANMVZCSNYHP-MUUNZHRXSA-N 2 0 539.809 5.109 1 0 KKAFRP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]2[NH2+]CC3)[N@H+](C)CC4 ZINC000085541002 560071555 /nfs/dbraw/zinc/07/15/55/560071555.db2.gz QDRZXFIVQYPSTN-KYJUHHDHSA-N 2 0 578.709 6.013 1 0 biogenic,in-vitro KKAFRP C[NH+]1[C@@H]2CC[C@H]1CC(OC(=O)[C@]1(c3ccccc3)CC[C@H](C(=O)OC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c3ccccc31)C2 ZINC000001662416 560183447 /nfs/dbraw/zinc/18/34/47/560183447.db2.gz GERIGMSHTUAXSI-VVTNGAEESA-N 2 0 542.720 5.187 1 0 biogenic,in-vitro KKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2ccc3ccc(COc4ccc(C(=[NH2+])NC(C)C)cc4)cc3c2)cc1 ZINC000043061782 562645197 /nfs/dbraw/zinc/64/51/97/562645197.db2.gz ZSLSBVATAHXNPL-UHFFFAOYSA-N 2 0 508.666 6.645 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2cccc3c(COc4ccc(C(=[NH2+])NC(C)C)cc4)cccc23)cc1 ZINC000043122671 562646218 /nfs/dbraw/zinc/64/62/18/562646218.db2.gz RTLCOAATVNXVJA-UHFFFAOYSA-N 2 0 508.666 6.645 1 0 KKAFRP COc1c(CC[NH2+]CCCC[NH2+]CCc2cc(Cl)c3ccccc3c2OC)cc(Cl)c2ccccc21 ZINC000045167430 562658045 /nfs/dbraw/zinc/65/80/45/562658045.db2.gz WCTOMOPILAQGAX-UHFFFAOYSA-N 2 0 525.520 7.062 1 0 KKAFRP CC(C)COc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCC(C)C)ccc2ccccc21 ZINC000045194708 562658838 /nfs/dbraw/zinc/65/88/38/562658838.db2.gz LDHUJUOJYSREQG-UHFFFAOYSA-N 2 0 540.792 8.502 1 0 KKAFRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045202424 562659169 /nfs/dbraw/zinc/65/91/69/562659169.db2.gz GYJLSVGCZDYPMX-NRFANRHFSA-N 2 0 500.470 5.481 1 0 KKAFRP FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)s3)nc2c1 ZINC000045227987 562659413 /nfs/dbraw/zinc/65/94/13/562659413.db2.gz HNSWEVZOXFFVOX-UHFFFAOYSA-N 2 0 519.596 6.694 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cc2)c(C(=O)NCC2CCCCC2)c1 ZINC000045228239 562659417 /nfs/dbraw/zinc/65/94/17/562659417.db2.gz ZGYCKXWIXDHTSP-XIFFEERXSA-N 2 0 537.792 7.541 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCCN3CC[NH+](C)CC3)C(=O)Nc3ccccc3)c2)c1 ZINC000045230674 562659634 /nfs/dbraw/zinc/65/96/34/562659634.db2.gz IZFRRYCYRSXULU-UHFFFAOYSA-N 2 0 527.757 5.771 1 0 KKAFRP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)nc(Nc2ccc(Br)cc2)n1 ZINC000045230952 562659642 /nfs/dbraw/zinc/65/96/42/562659642.db2.gz DTWSKAHZTRSZPZ-UHFFFAOYSA-N 2 0 505.549 5.561 1 0 KKAFRP Clc1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccc(Cl)cc4)C2[N@H+](CCc2ccccc2)CC3)cc1 ZINC000045245963 562659777 /nfs/dbraw/zinc/65/97/77/562659777.db2.gz OBOMXJSGFCCWHY-HWOSFROGSA-N 2 0 519.560 7.806 1 0 KKAFRP Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000045302056 562660561 /nfs/dbraw/zinc/66/05/61/562660561.db2.gz ZYLSWHVDPIIHRZ-HUUCEWRRSA-N 2 0 501.077 5.399 1 0 KKAFRP Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302058 562660619 /nfs/dbraw/zinc/66/06/19/562660619.db2.gz ZYLSWHVDPIIHRZ-GJZGRUSLSA-N 2 0 501.077 5.399 1 0 KKAFRP [NH3+]Cc1cccc(-c2cccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000045302465 562660644 /nfs/dbraw/zinc/66/06/44/562660644.db2.gz ZCUFHJBLQQGWED-UHFFFAOYSA-N 2 0 504.678 6.511 1 0 KKAFRP C[NH+](C)Cc1ccccc1NC(=O)OC[C@H](Oc1cc(F)cc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045391453 562662572 /nfs/dbraw/zinc/66/25/72/562662572.db2.gz SMMZRDAVBONMHW-QHCPKHFHSA-N 2 0 506.603 5.755 1 0 KKAFRP O=C(Nc1cccc(F)c1)N(Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000048307382 562663050 /nfs/dbraw/zinc/66/30/50/562663050.db2.gz OYPCDSQEPZRKDI-UHFFFAOYSA-N 2 0 591.775 6.597 1 0 KKAFRP CCC[N@H+](CCC[NH+](C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 562663852 /nfs/dbraw/zinc/66/38/52/562663852.db2.gz XOJOTGJAUPIDAC-VWLOTQADSA-N 3 0 511.759 6.709 1 0 KKAFRP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664243 /nfs/dbraw/zinc/66/42/43/562664243.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 2 0 516.693 6.155 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]CC(C)C)cc3I)c2)c(I)c1 ZINC000049604899 562665019 /nfs/dbraw/zinc/66/50/19/562665019.db2.gz BBBDWTNHMJIVCU-UHFFFAOYSA-N 2 0 712.454 7.545 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000049605276 562665650 /nfs/dbraw/zinc/66/56/50/562665650.db2.gz SXIAVEDDUFSJFY-ZYFUZLPZSA-N 2 0 579.810 6.631 1 0 KKAFRP C[C@H](CCCC(=O)Nc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605763 562666349 /nfs/dbraw/zinc/66/63/49/562666349.db2.gz REXBUNUZTPIOJH-DNQXCXABSA-N 2 0 540.579 7.086 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049614201 562666512 /nfs/dbraw/zinc/66/65/12/562666512.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 2 0 702.804 7.966 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]CCc3ccc(C(F)(F)F)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049626030 562666958 /nfs/dbraw/zinc/66/69/58/562666958.db2.gz ZGVNIXGBMKEIHI-UIOOFZCWSA-N 2 0 622.175 8.138 1 0 KKAFRP C[C@H](CCCCCC(=O)Nc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049627067 562667503 /nfs/dbraw/zinc/66/75/03/562667503.db2.gz ZDQZRHIAICGCCU-CLJLJLNGSA-N 2 0 568.633 7.867 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049650010 562667915 /nfs/dbraw/zinc/66/79/15/562667915.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 2 0 726.870 8.302 1 0 KKAFRP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])N7CCCCCC7)ccc6[nH]5)cc4)cc3)nc2c1)N1CCCCCC1 ZINC000049650020 562667971 /nfs/dbraw/zinc/66/79/71/562667971.db2.gz UXPRWFZEHJRIAY-UHFFFAOYSA-N 2 0 650.831 8.968 1 0 KKAFRP CC(=O)N(Cc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)Cc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000049710416 562671669 /nfs/dbraw/zinc/67/16/69/562671669.db2.gz FXIRTKNQSRVXHH-FQLXRVMXSA-N 2 0 630.704 8.069 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049710851 562671840 /nfs/dbraw/zinc/67/18/40/562671840.db2.gz RTJVZMDINHOIOW-UHFFFAOYSA-N 2 0 644.860 7.881 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711032 562671947 /nfs/dbraw/zinc/67/19/47/562671947.db2.gz NKILNBZJPOZQEA-PZGXJGMVSA-N 2 0 595.628 6.179 1 0 KKAFRP CN1c2ccccc2Sc2cc(C[NH2+]CCSCC[NH2+]Cc3ccc4c(c3)Sc3ccccc3N4C)ccc21 ZINC000049723018 562672788 /nfs/dbraw/zinc/67/27/88/562672788.db2.gz CFKOKZLVPHHRDD-UHFFFAOYSA-N 2 0 570.853 7.764 1 0 KKAFRP C[C@H](Cc1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049746945 562674697 /nfs/dbraw/zinc/67/46/97/562674697.db2.gz HMUKMFSLLRDOBR-IZZNHLLZSA-N 2 0 624.678 7.321 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)[C@H](C)C[NH+](C)C)cc1F ZINC000049756029 562674773 /nfs/dbraw/zinc/67/47/73/562674773.db2.gz IIOKVVJSEBSBBR-HHHXNRCGSA-N 2 0 610.774 6.170 1 0 KKAFRP CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049757008 562675408 /nfs/dbraw/zinc/67/54/08/562675408.db2.gz LXFFLYDBDKTURS-SYOUHCTFSA-N 2 0 590.856 7.739 1 0 KKAFRP CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049761927 562676199 /nfs/dbraw/zinc/67/61/99/562676199.db2.gz HXIAUGNCAZISTM-VZCIPQIESA-N 2 0 605.827 6.814 1 0 KKAFRP O=C(C[C@@H]([NH2+]CCCCCCCC[NH2+][C@H](CC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000049763097 562676821 /nfs/dbraw/zinc/67/68/21/562676821.db2.gz GXNZUCYHXRTKIT-NDOUMJCMSA-N 2 0 755.016 8.824 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)[NH2+]2)CC1 ZINC000049778354 562681254 /nfs/dbraw/zinc/68/12/54/562681254.db2.gz HEILVIDOVAHKRM-GMTSZFNJSA-N 2 0 648.267 5.183 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@H+]2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[NH+]2C)cc1 ZINC000049898467 562692552 /nfs/dbraw/zinc/69/25/52/562692552.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 2 0 670.803 6.477 1 0 KKAFRP [NH3+]CCc1c2cc(O)c([C@@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902775 562693392 /nfs/dbraw/zinc/69/33/92/562693392.db2.gz CYAJKOUHPRYFRD-PKTZIBPZSA-N 3 0 650.419 6.044 1 0 KKAFRP CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917585 562693617 /nfs/dbraw/zinc/69/36/17/562693617.db2.gz IKEZPWSTUBREGN-ZABMDDCTSA-N 2 0 622.851 5.212 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917694 562693772 /nfs/dbraw/zinc/69/37/72/562693772.db2.gz CVACZFYQVUKCCT-ZTOMLWHTSA-N 2 0 562.076 5.814 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917762 562693857 /nfs/dbraw/zinc/69/38/57/562693857.db2.gz ZHDSIQJTAMFWOD-RWYGWLOXSA-N 2 0 726.943 6.848 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000052955827 562695929 /nfs/dbraw/zinc/69/59/29/562695929.db2.gz OFZBJBWEFDENEY-DHUJRADRSA-N 2 0 631.887 5.567 1 0 KKAFRP O[C@@H]1C[C@H]2CCCN(Cc3cccc(I)c3)[C@@H]2C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000053021972 562696071 /nfs/dbraw/zinc/69/60/71/562696071.db2.gz VNKWQLNPJDASGU-MIRJVGOZSA-N 2 0 530.494 5.275 1 0 KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2[nH]ccc2C1 ZINC000058522878 562698568 /nfs/dbraw/zinc/69/85/68/562698568.db2.gz PXQLXHKHOYCSAS-MHZLTWQESA-N 2 0 501.781 5.503 1 0 KKAFRP CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058540966 562698922 /nfs/dbraw/zinc/69/89/22/562698922.db2.gz XBKHTHKBQDTZPE-LFQBJWFLSA-N 3 0 619.902 5.723 1 0 KKAFRP CC[C@@H](C)NC(=[NH2+])c1cccc(OCc2ccc3ccc(COc4cccc(C(=[NH2+])N[C@H](C)CC)c4)cc3c2)c1 ZINC000058603727 562700897 /nfs/dbraw/zinc/70/08/97/562700897.db2.gz GQLGFYZNWJTXCZ-DNQXCXABSA-N 2 0 536.720 7.425 1 0 KKAFRP Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)[NH+]1CC[C@H](O)C1 ZINC000058609055 562701007 /nfs/dbraw/zinc/70/10/07/562701007.db2.gz LCZZNXMWRVFVOT-LYBDLDKZSA-N 2 0 658.230 5.555 1 0 KKAFRP CC[NH+]1CCN(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064373206 562704866 /nfs/dbraw/zinc/70/48/66/562704866.db2.gz KBKMCQSBCNCPIL-KEANYWJXSA-N 3 0 500.775 5.284 1 0 KKAFRP CCCCn1c2ccccc2c2cc(C[NH2+]CCCC[NH+](CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447462 562705400 /nfs/dbraw/zinc/70/54/00/562705400.db2.gz CELXSPGQJBSGFZ-UHFFFAOYSA-N 2 0 546.756 6.894 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)C[NH+]3CCCCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000064512900 562706328 /nfs/dbraw/zinc/70/63/28/562706328.db2.gz CSGHEFPBRMHRMG-KKLWWLSJSA-N 2 0 594.881 6.478 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104357 562711701 /nfs/dbraw/zinc/71/17/01/562711701.db2.gz VZDMPXBUIWEQHN-UMSFTDKQSA-N 2 0 620.842 6.043 1 0 KKAFRP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066123514 562712529 /nfs/dbraw/zinc/71/25/29/562712529.db2.gz ZXMKGUQSCOBXGD-PIGLOVQCSA-N 3 0 640.748 6.234 3 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@H+](CCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071296336 562717498 /nfs/dbraw/zinc/71/74/98/562717498.db2.gz BXUKKRHEMKVWOY-MGBGTMOVSA-N 2 0 627.273 7.555 1 0 KKAFRP OC(Cn1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1)(Cn1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1)c1ccc(F)cc1F ZINC000072105122 562720701 /nfs/dbraw/zinc/72/07/01/562720701.db2.gz FYCMFMLNDOSYGT-UHFFFAOYSA-N 2 0 626.322 5.231 1 0 KKAFRP O=C(C[NH2+]CCNc1c2c([nH+]c3ccccc31)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072119655 562723832 /nfs/dbraw/zinc/72/38/32/562723832.db2.gz HCQYXICOBMKIRR-UHFFFAOYSA-N 2 0 513.601 5.123 1 0 KKAFRP O=C(CC[NH2+]CCCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120041 562723961 /nfs/dbraw/zinc/72/39/61/562723961.db2.gz DJFVILMGABHEQT-UHFFFAOYSA-N 2 0 555.682 6.294 1 0 KKAFRP O=C(CC[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120329 562724031 /nfs/dbraw/zinc/72/40/31/562724031.db2.gz ULABGWUYZRTDHX-UHFFFAOYSA-N 2 0 541.655 5.904 1 0 KKAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000072190175 562732974 /nfs/dbraw/zinc/73/29/74/562732974.db2.gz FYEXOHKTNZXZQH-KKEISOQISA-N 2 0 732.966 5.803 1 0 in-vivo KKAFRP C[NH+]1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150178 562739762 /nfs/dbraw/zinc/73/97/62/562739762.db2.gz OJKVDKLFJYQQNR-WYJFYEORSA-N 2 0 515.742 5.142 1 0 KKAFRP O=C(NCCC[NH+](CCCC[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1)C(F)(F)F ZINC000082185934 562742314 /nfs/dbraw/zinc/74/23/14/562742314.db2.gz UXFATSAFEVUKRA-UHFFFAOYSA-N 2 0 674.730 7.215 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084596725 562743814 /nfs/dbraw/zinc/74/38/14/562743814.db2.gz PHMROSHDKYSTRK-IZLXSDGUSA-N 2 0 607.286 10.566 1 0 KKAFRP [NH3+]CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000084671599 562748611 /nfs/dbraw/zinc/74/86/11/562748611.db2.gz ORKJNTNAFRWXET-HXUWFJFHSA-N 2 0 552.626 6.161 1 0 KKAFRP c1nc(-c2ccc(OCCCC[NH+]3CCCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(OCCCC[NH+]4CCCC4)cc3)o2)c1 ZINC000084687248 562748868 /nfs/dbraw/zinc/74/88/68/562748868.db2.gz XCKVWTRXTMZSSD-UHFFFAOYSA-N 2 0 646.832 8.840 1 0 KKAFRP NC(=[NH2+])SCc1c2oc3c(ccc(Br)c3CSC(N)=[NH2+])c2ccc1Br ZINC000084687747 562748976 /nfs/dbraw/zinc/74/89/76/562748976.db2.gz SOHRRGPNXWNWFZ-UHFFFAOYSA-N 2 0 502.257 5.364 1 0 KKAFRP C[NH+](CCNC(=O)CC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536811 562754170 /nfs/dbraw/zinc/75/41/70/562754170.db2.gz JTGUYKKQPOUVPJ-UHFFFAOYSA-N 2 0 777.713 5.302 1 0 KKAFRP C[NH+]1CCN(Cc2ccc(OCc3cccc(COc4ccc(CN5CC[NH+](C)CC5)cc4I)c3)c(I)c2)CC1 ZINC000095536958 562754308 /nfs/dbraw/zinc/75/43/08/562754308.db2.gz QEFGWPQGVGALPW-UHFFFAOYSA-N 2 0 766.506 5.549 1 0 KKAFRP COc1ccc(CNC(=O)[C@H](CC[NH3+])NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(C[NH+]4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)cc1 ZINC000095539654 562755209 /nfs/dbraw/zinc/75/52/09/562755209.db2.gz VEXGCTQFKZUHTM-UWXQCODUSA-N 2 0 820.769 6.762 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000095539893 562755350 /nfs/dbraw/zinc/75/53/50/562755350.db2.gz ZRNRHINLPADKNB-UHFFFAOYSA-N 2 0 814.688 12.599 1 0 in-vivo KKAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095540273 562755612 /nfs/dbraw/zinc/75/56/12/562755612.db2.gz TVKOKXCMTWXQGJ-LJAQVGFWSA-N 2 0 747.790 5.059 1 0 KKAFRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CC[NH+]5CCCCC5)cc4)c3)c2)cc1 ZINC000095541580 562756208 /nfs/dbraw/zinc/75/62/08/562756208.db2.gz SKTIBGZCYJECEU-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP CC[NH2+]CCNC(=O)[C@H](CC[NH3+])NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095541879 562756371 /nfs/dbraw/zinc/75/63/71/562756371.db2.gz VINIMSQKYFYWAG-HEVIKAOCSA-N 3 0 771.741 5.163 1 0 KKAFRP COc1ccccc1N1CC[NH+](Cc2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 ZINC000095561403 562763390 /nfs/dbraw/zinc/76/33/90/562763390.db2.gz VDCBDIRJDJYCIZ-UHFFFAOYSA-N 2 0 541.139 6.098 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CCC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095594366 562776437 /nfs/dbraw/zinc/77/64/37/562776437.db2.gz CTPTZGZKYVWFKJ-DOVUUNBWSA-N 2 0 794.990 5.020 1 0 KKAFRP CC[NH+]1CCN(c2cc(C)nc(Nc3ccc(OCCCCCOc4ccc(Nc5nc(C)cc(N6CC[NH+](CC)CC6)n5)cc4)cc3)n2)CC1 ZINC000095594577 562776493 /nfs/dbraw/zinc/77/64/93/562776493.db2.gz PYXKQPXCRBLSHO-UHFFFAOYSA-N 2 0 694.929 6.283 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095612955 562785931 /nfs/dbraw/zinc/78/59/31/562785931.db2.gz CISZZHPGYPWFDW-CHDFXNRKSA-N 3 0 769.923 8.406 1 0 KKAFRP O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3[nH+]cc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787319 /nfs/dbraw/zinc/78/73/19/562787319.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 2 0 504.650 5.012 1 0 KKAFRP C[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(=O)c5ccc6c(ccc[n+]6C)c5)cc4)cc3)ccc21 ZINC000095882122 562790128 /nfs/dbraw/zinc/79/01/28/562790128.db2.gz KUFPPGZGKWNNMW-UHFFFAOYSA-P 2 0 567.649 5.399 1 0 KKAFRP CCOCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCOCC)c4)cc3)ccc21 ZINC000095882108 562790164 /nfs/dbraw/zinc/79/01/64/562790164.db2.gz XIBREOMXZFTGHT-UHFFFAOYSA-P 2 0 564.686 5.146 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)cc2)c1 ZINC000095882116 562790165 /nfs/dbraw/zinc/79/01/65/562790165.db2.gz HYHZKYGVXXXZJK-UHFFFAOYSA-P 2 0 573.697 5.992 1 0 KKAFRP CCCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)cc3)ccc21 ZINC000095882104 562790172 /nfs/dbraw/zinc/79/01/72/562790172.db2.gz XKOWIJRHRPJPRW-UHFFFAOYSA-P 2 0 560.742 7.453 1 0 KKAFRP Cc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCCN(C)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000096174638 562791823 /nfs/dbraw/zinc/79/18/23/562791823.db2.gz AFEIULHOTSQERY-RWYGWLOXSA-N 2 0 802.973 6.703 1 0 KKAFRP Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2ccc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000096175724 562791946 /nfs/dbraw/zinc/79/19/46/562791946.db2.gz BIONPABRWDNDME-UHFFFAOYSA-N 2 0 597.768 5.078 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285568 562795844 /nfs/dbraw/zinc/79/58/44/562795844.db2.gz PGHRDQIVQWNEGD-UHFFFAOYSA-N 2 0 602.779 6.776 1 0 KKAFRP Cc1ccc(-c2cc(=O)c3ccc(OCCCN4CC[NH+](CCCNc5c6ccccc6[nH+]c6c5CCCC6)CC4)cc3o2)cc1 ZINC000096285558 562795873 /nfs/dbraw/zinc/79/58/73/562795873.db2.gz RQWXJZZQVBAPHB-UHFFFAOYSA-N 2 0 616.806 7.084 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)[NH2+]CC1(c2ccccc2)CC1 ZINC000096921310 562801365 /nfs/dbraw/zinc/80/13/65/562801365.db2.gz DVHHMOYDTREDMK-ZPGRZCPFSA-N 2 0 527.756 6.646 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(-c2c3ccc(OCC[NH+](CC)CC)cc3oc(=O)c2-c2ccccc2)cc1 ZINC000096922049 562801643 /nfs/dbraw/zinc/80/16/43/562801643.db2.gz LKALKLADJDKJLS-UHFFFAOYSA-N 2 0 528.693 6.568 1 0 KKAFRP CC(C)(C[C@H]1CCC[NH2+]1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101043145 562808884 /nfs/dbraw/zinc/80/88/84/562808884.db2.gz CREAHOIFFJGQJC-FVBCXUTKSA-N 2 0 523.681 5.383 1 0 KKAFRP CCC(=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000103230564 562818198 /nfs/dbraw/zinc/81/81/98/562818198.db2.gz CVNPFNZJSHRZFA-UHFFFAOYSA-N 2 0 566.830 8.565 1 0 KKAFRP CCC(CC)=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000103230598 562818224 /nfs/dbraw/zinc/81/82/24/562818224.db2.gz BMTQBVWFOFKLIN-UHFFFAOYSA-N 2 0 518.786 7.818 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccc(F)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240429 562819430 /nfs/dbraw/zinc/81/94/30/562819430.db2.gz UYJHSEVBDADVIO-DHUJRADRSA-N 2 0 604.774 5.927 1 0 KKAFRP COc1ccc(CNC(=O)C[C@@H]2c3ccccc3[NH+]=C(N(C)CCCCC[NH+](C)C)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240398 562819482 /nfs/dbraw/zinc/81/94/82/562819482.db2.gz PVTQXYSLRQKPEP-PSXMRANNSA-N 2 0 603.811 7.281 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccc(F)c3)C[C@H]2Cc2ccccc2)CC1 ZINC000103251652 562820341 /nfs/dbraw/zinc/82/03/41/562820341.db2.gz QXOBKIRFUARKIM-IWOFXUSUSA-N 2 0 588.860 6.763 1 0 KKAFRP CC(C)CCCN1C(N)=[NH+]C[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=[NH2+] ZINC000103251665 562820364 /nfs/dbraw/zinc/82/03/64/562820364.db2.gz ACQMEHHQPLMUFS-UFADHCMUSA-N 2 0 550.880 6.818 1 0 KKAFRP CC(C)CCCN1C(N)=[NH+]C[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=[NH2+] ZINC000103251697 562820403 /nfs/dbraw/zinc/82/04/03/562820403.db2.gz RGVQPTYZIONKLB-URLMMPGGSA-N 2 0 581.647 5.970 1 0 KKAFRP C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](Cc5ccco5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685830 562833267 /nfs/dbraw/zinc/83/32/67/562833267.db2.gz SAKZWHDDNTUCCS-GMAHTHKFSA-N 2 0 530.635 5.381 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC[NH+]2CCCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000144197937 562835858 /nfs/dbraw/zinc/83/58/58/562835858.db2.gz CNLUPKVITANMJE-OHMLLRHZSA-N 2 0 589.583 5.875 1 0 KKAFRP O[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000145566936 562837352 /nfs/dbraw/zinc/83/73/52/562837352.db2.gz XISVXJWNLOWHCO-PQQNNWGCSA-N 2 0 560.782 6.160 1 0 KKAFRP O=C1[O+]=NN(c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(c5cccc(Cl)c5)CC4)cc3)cc2)C1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000150582499 562845584 /nfs/dbraw/zinc/84/55/84/562845584.db2.gz PLRRQQFSFKEHCU-UHFFFAOYSA-P 2 0 755.707 5.169 1 0 KKAFRP CC[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[N@@H+](C)CC)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150604351 562847656 /nfs/dbraw/zinc/84/76/56/562847656.db2.gz ASFUWJHTRWCQLF-IYTFMMMVSA-N 2 0 775.014 8.847 1 0 KKAFRP Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000165279788 562850054 /nfs/dbraw/zinc/85/00/54/562850054.db2.gz JLISBIOYOMDBSV-UHFFFAOYSA-N 2 0 735.835 5.098 1 0 KKAFRP CN(CCCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc2ccccc2c1 ZINC000169307065 562853711 /nfs/dbraw/zinc/85/37/11/562853711.db2.gz MNBAWANRFWUGBT-UMSFTDKQSA-N 2 0 561.774 7.149 1 0 KKAFRP Clc1ccc([C@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccc(Cl)cc4)C2[N@H+](CCc2ccccc2)CC3)cc1 ZINC000169308987 562854218 /nfs/dbraw/zinc/85/42/18/562854218.db2.gz IEHODYGTQZFDPN-AOQDKHGRSA-N 2 0 533.587 8.196 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000169312704 562855414 /nfs/dbraw/zinc/85/54/14/562855414.db2.gz HYJHCASGUGVQPT-UHFFFAOYSA-N 2 0 563.742 6.862 1 0 KKAFRP CCCC[NH+](CCCC)CCC[NH2+]C[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318823 562856112 /nfs/dbraw/zinc/85/61/12/562856112.db2.gz GCRBXCBZFWYJAB-CXMJEVNXSA-N 2 0 550.872 8.074 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@@H+]2C[C@H]3C[C@@]3(COC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O ZINC000169323330 562857013 /nfs/dbraw/zinc/85/70/13/562857013.db2.gz GHEXUPCRJJWFHU-FNNIOBQYSA-N 2 0 729.340 6.714 1 0 KKAFRP C[n+]1cccc2cc(NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)Nc7ccc8c(ccc[n+]8C)c7)cc6)cc5)cc4)cc3)ccc21 ZINC000169333054 562859222 /nfs/dbraw/zinc/85/92/22/562859222.db2.gz XCZFXFVXCGFCFS-UHFFFAOYSA-P 2 0 676.820 9.148 1 0 KKAFRP CCSc1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(SCC)cc2)cc1 ZINC000169337223 562859994 /nfs/dbraw/zinc/85/99/94/562859994.db2.gz XMWMAYBWFZPWCE-UHFFFAOYSA-N 4 0 556.810 5.092 1 0 KKAFRP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[NH+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362791 562864269 /nfs/dbraw/zinc/86/42/69/562864269.db2.gz AHKFGBZDFCALED-BOQIVKSYSA-N 2 0 612.818 5.751 1 0 KKAFRP CC[C@@H]1CCC[N@H+](CCc2c3ccccc3n3c2[C@H](C(=O)OC)CC[C@]3(C(=O)OC)c2[nH]c3ccccc3c2CC[NH+]2CCC[C@H](CC)C2)C1 ZINC000169369695 562864721 /nfs/dbraw/zinc/86/47/21/562864721.db2.gz HWBGBIQGALATDY-FIQPHFPASA-N 2 0 680.934 7.419 1 0 KKAFRP C[C@@H]([NH3+])c1cccc(CC(=O)NC(=N)CCC(=[NH2+])CCCCc2nnc(NC(=O)[C@@H](C)c3ccccc3)s2)c1 ZINC000169698631 562867431 /nfs/dbraw/zinc/86/74/31/562867431.db2.gz GQZIVMKDJPOFMT-VQTJNVASSA-N 2 0 547.729 5.149 1 0 KKAFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@H]3CC)ccc1-2 ZINC000253635700 562882251 /nfs/dbraw/zinc/88/22/51/562882251.db2.gz AJLJWJGSCGGSNQ-CLJLJLNGSA-N 2 0 544.740 6.084 1 0 KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2nc(N)sc2C1 ZINC000253639404 562882526 /nfs/dbraw/zinc/88/25/26/562882526.db2.gz XRTVFETTYPHBKG-DEOSSOPVSA-N 2 0 534.836 5.213 1 0 KKAFRP O=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=O)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000299853348 562891127 /nfs/dbraw/zinc/89/11/27/562891127.db2.gz ITLCJTLROKBPIR-UHFFFAOYSA-N 2 0 662.923 6.379 1 0 KKAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000299858566 562892487 /nfs/dbraw/zinc/89/24/87/562892487.db2.gz DUQNZGIGZOEZHH-BHVANESWSA-N 2 0 689.813 6.220 1 0 KKAFRP CCCC[C@H]1CN(CCCC[C@H]2C[NH+]=C(N)N2CCC23CC4CC(CC(C4)C2)C3)C(=[NH2+])N1CCc1ccc(-c2ccccc2)cc1 ZINC000299861743 562893418 /nfs/dbraw/zinc/89/34/18/562893418.db2.gz LYQFDXNPWSMZCS-CMJLYSRISA-N 2 0 622.946 7.993 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCCCC3CCCCC3)C2=[NH2+])N1CCc1cccc(C(F)(F)F)c1 ZINC000299863184 562893808 /nfs/dbraw/zinc/89/38/08/562893808.db2.gz OTGNYMKEHHJHLU-LQJZCPKCSA-N 2 0 630.888 8.269 1 0 KKAFRP COc1cc(OC)c(C[NH+]=c2ccn(CCCCCCCCCCn3ccc(=[NH+]Cc4c(OC)cc(OC)cc4OC)c4ccccc43)c3ccccc32)c(OC)c1 ZINC000377529180 562895902 /nfs/dbraw/zinc/89/59/02/562895902.db2.gz DGRYUOHWQSFLKW-UHFFFAOYSA-N 2 0 787.014 9.670 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc(cc4)-c4cccc(n4)-c4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377807775 562895993 /nfs/dbraw/zinc/89/59/93/562895993.db2.gz MSJCPFHRDPDMGR-UHFFFAOYSA-N 2 0 735.935 11.366 1 0 KKAFRP COc1cc(Cn2c(C)cc(=[NH+]CCCCCCCCCC[NH+]=c3cc(C)n(Cc4cc(OC)cc(OC)c4)c4ccccc43)c3ccccc32)cc(OC)c1 ZINC000377809592 562896008 /nfs/dbraw/zinc/89/60/08/562896008.db2.gz QFQGHXHFZFJLBQ-UHFFFAOYSA-N 2 0 755.016 9.966 1 0 KKAFRP COc1cc(Cn2c(C)cc(=[NH+]CCCCCCCCCCNc3cc(C)[nH+]c4ccccc34)c3ccccc32)cc(OC)c1 ZINC000377819967 562896170 /nfs/dbraw/zinc/89/61/70/562896170.db2.gz GDERYWIOGUTQMC-UHFFFAOYSA-N 2 0 604.839 8.427 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccc(Cl)cc3)ccn(Cc3cccc(-c4cccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=[NH2+])c(C)c5-6)c4)c3)c1-2 ZINC000377820816 562896194 /nfs/dbraw/zinc/89/61/94/562896194.db2.gz OGVMQGMFZYBNKO-UHFFFAOYSA-N 2 0 773.812 11.681 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)c(N)c4)cc3)cc2N)cc1 ZINC000377848843 562896385 /nfs/dbraw/zinc/89/63/85/562896385.db2.gz JNTAGXKLYYBBGL-VGOFMYFVSA-O 2 0 613.746 5.860 1 0 KKAFRP O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)[n+]1ccn(Cc2cccc(Cn3cc[n+]([C@H](Cc4ccccc4)C(=O)NCc4ccccc4)c3)c2)c1 ZINC000653722481 562908797 /nfs/dbraw/zinc/90/87/97/562908797.db2.gz ROEVVNZKDYMJBY-NDOUMJCMSA-P 2 0 714.914 6.162 1 0 KKAFRP COC(=O)[C@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1Cc1ccc(OC)cc1 ZINC000653856884 562915744 /nfs/dbraw/zinc/91/57/44/562915744.db2.gz ZPCUFYOWDKVSHD-XGVXMITKSA-N 2 0 789.982 5.389 1 0 KKAFRP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)c(F)c2)c1 ZINC000653858726 562915913 /nfs/dbraw/zinc/91/59/13/562915913.db2.gz SWJCFZKBYJYTCH-IZZNHLLZSA-N 2 0 573.615 6.172 1 0 KKAFRP COc1cc2[nH+]c(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653861146 562915958 /nfs/dbraw/zinc/91/59/58/562915958.db2.gz LQYKMUPDQFDNHF-IBGZPJMESA-N 2 0 566.077 6.117 1 0 KKAFRP COc1cc2[nH+]c(NCCc3ccccc3Cl)cc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653861168 562916009 /nfs/dbraw/zinc/91/60/09/562916009.db2.gz QNROOZYBVVGYRE-UHFFFAOYSA-N 2 0 540.039 5.778 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000070455475 565120484 /nfs/dbraw/zinc/12/04/84/565120484.db2.gz LHIFPLJVJKKRTD-VMPREFPWSA-N 2 0 608.735 6.820 1 0 biogenic,in-vitro KKAFRP COc1c(OC)c2c(c(CC[NH+](C)C)c1SC)Sc1c(OC)c(OC)c(SC)c(CC[NH+](C)C)c1S2 ZINC000003925307 561686412 /nfs/dbraw/zinc/68/64/12/561686412.db2.gz DDNBLGHDDGIIFX-UHFFFAOYSA-N 2 0 570.868 5.989 1 0 in-vitro KKAFRP C[NH+]1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(C(F)(F)F)c4)cc32)CC1 ZINC000003940532 561689199 /nfs/dbraw/zinc/68/91/99/561689199.db2.gz BEMHNUHVZNPWPV-UHFFFAOYSA-N 2 0 506.532 5.711 1 0 KKAFRP Cc1cc(N(C)C)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N(C)C)c2ccccc21 ZINC000005822608 561698762 /nfs/dbraw/zinc/69/87/62/561698762.db2.gz AXNIGYUTTGLXPH-UHFFFAOYSA-N 2 0 512.786 7.138 1 0 KKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000012504437 561711105 /nfs/dbraw/zinc/71/11/05/561711105.db2.gz ROTFGKJJMRTWBD-HHHXNRCGSA-N 2 0 500.731 7.002 1 0 in-vivo KKAFRP Fc1ccc2c(c1)[nH+]c1c(c2NCCCCCCNc2c3ccc(F)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000013473790 561714431 /nfs/dbraw/zinc/71/44/31/561714431.db2.gz RNCHLHHWJBXPLK-UHFFFAOYSA-N 2 0 514.664 7.903 1 0 KKAFRP c1cc(-c2ccc(C[n+]3ccc(N4CCCCC4)cc3)cc2)ccc1C[n+]1ccc(N2CCCCC2)cc1 ZINC000013584367 561720321 /nfs/dbraw/zinc/72/03/21/561720321.db2.gz SMFMCKFOLNTMHD-UHFFFAOYSA-N 2 0 504.722 6.006 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@H]3CCC[NH2+]C3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780311 561729035 /nfs/dbraw/zinc/72/90/35/561729035.db2.gz ZJNOPNNJFLEQBQ-XZOQPEGZSA-N 2 0 511.110 5.817 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC ZINC000013781549 561729455 /nfs/dbraw/zinc/72/94/55/561729455.db2.gz QHXIAJIYLGAPSH-UHFFFAOYSA-N 4 0 540.837 6.054 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000017611835 561757040 /nfs/dbraw/zinc/75/70/40/561757040.db2.gz JEKDOWMTUCHNIR-IHLOFXLRSA-N 2 0 608.735 6.859 1 0 aggregator KKAFRP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCCC4)cc3)oc3nccc(NCCN4CC[NH2+]CC4)c32)cc1 ZINC000023359522 561762136 /nfs/dbraw/zinc/76/21/36/561762136.db2.gz ZMWKUKIYVSUWAS-UHFFFAOYSA-N 2 0 525.697 5.344 1 0 KKAFRP O=C1c2cccc3cc(-c4ccccc4)cc(c32)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3cc(-c4ccccc4)cc(c32)C1=O ZINC000026376911 561782245 /nfs/dbraw/zinc/78/22/45/561782245.db2.gz DQWQMFPAKPWUNE-UHFFFAOYSA-N 2 0 686.812 7.179 1 0 KKAFRP NC(=O)C[NH2+][C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026381993 561783397 /nfs/dbraw/zinc/78/33/97/561783397.db2.gz OXQZXDGLSIMETJ-WNJJXGMVSA-N 2 0 706.555 7.149 1 0 KKAFRP NC(=[NH2+])c1ccc([C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382685 561783588 /nfs/dbraw/zinc/78/35/88/561783588.db2.gz HZVJEKSIKFVOAA-BZKUTMRRSA-N 2 0 643.681 5.861 1 0 KKAFRP NC(=O)C[NH2+][C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026395730 561786910 /nfs/dbraw/zinc/78/69/10/561786910.db2.gz OXQZXDGLSIMETJ-LITSAYRRSA-N 2 0 706.555 7.149 1 0 KKAFRP COc1cc(Cn2c3ccc(O)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000026402628 561788800 /nfs/dbraw/zinc/78/88/00/561788800.db2.gz DTQBMDHBSRYTTN-UHFFFAOYSA-N 2 0 526.681 5.536 1 0 KKAFRP OC1(CCCc2ccc(-c3nn[nH]n3)cc2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819989 /nfs/dbraw/zinc/81/99/89/561819989.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 2 0 542.772 5.312 1 0 KKAFRP CCc1cc(CC[NH2+]C[C@@H](C)c2c3cc(C(C)(C)C(=O)N4CC5CCC4CC5)ccc3[nH]c2-c2cc(C)cc(C)c2)ccn1 ZINC000026985358 561831885 /nfs/dbraw/zinc/83/18/85/561831885.db2.gz RYBKRFKFUDCLIC-IGYBLTPGSA-N 2 0 590.856 8.024 1 0 KKAFRP [NH3+]Cc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027103887 561839535 /nfs/dbraw/zinc/83/95/35/561839535.db2.gz FOSOJUPOQCMYFN-UHFFFAOYSA-N 3 0 569.815 6.957 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(CCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027104951 561839756 /nfs/dbraw/zinc/83/97/56/561839756.db2.gz JYPXZRLOULEQMR-UHFFFAOYSA-N 2 0 538.757 7.302 1 0 KKAFRP COc1cc(N[C@@H](C)CCC[NH3+])c2ncccc2c1-c1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21 ZINC000027181348 561841896 /nfs/dbraw/zinc/84/18/96/561841896.db2.gz POJZUHZPWDDYHK-PMACEKPBSA-N 2 0 516.690 5.546 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)C1C(=O)OC ZINC000027209314 561846660 /nfs/dbraw/zinc/84/66/60/561846660.db2.gz BCRJYBZKKYLRPH-OOVLPZSHSA-N 2 0 644.600 6.138 1 0 KKAFRP COc1ccccc1N1CC[NH+](C2C[C@H]3CC([NH2+]C4C[C@H]5CC([NH+]6CCN(c7ccccc7OC)CC6)C[C@@H]5C4)C[C@@H]3C2)CC1 ZINC000027304048 561849252 /nfs/dbraw/zinc/84/92/52/561849252.db2.gz MLMPITXUNSOGFE-KCTFYKLOSA-N 3 0 613.891 5.352 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421262 561857676 /nfs/dbraw/zinc/85/76/76/561857676.db2.gz IMWCKHQQVPILQC-HACMPCGWSA-N 2 0 679.906 6.213 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420738 561857700 /nfs/dbraw/zinc/85/77/00/561857700.db2.gz XTJMLCAUNHFIRS-LSMVNNKTSA-N 2 0 653.868 5.777 1 0 KKAFRP Cc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c3c([nH+]c12)CCCC3 ZINC000027424419 561858115 /nfs/dbraw/zinc/85/81/15/561858115.db2.gz OYHQFSZATDLNIX-UHFFFAOYSA-N 2 0 520.765 8.714 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027440588 561860726 /nfs/dbraw/zinc/86/07/26/561860726.db2.gz VFTBMHHOSKDGPC-RUZDIDTESA-N 2 0 541.580 6.075 1 0 KKAFRP COc1ccccc1C[NH2+]Cc1ccc(C[NH2+]CCCCCCCC[NH2+]Cc2ccc(C[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000027563314 561871336 /nfs/dbraw/zinc/87/13/36/561871336.db2.gz CCIVIQGIPYQBMS-UHFFFAOYSA-N 4 0 622.898 7.503 1 0 KKAFRP COc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)Cc2ccc(OC)cc2)cc1 ZINC000027644104 561875686 /nfs/dbraw/zinc/87/56/86/561875686.db2.gz NUTZRFPWLBDYEB-UHFFFAOYSA-N 2 0 602.223 6.418 1 0 KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2[nH]ccc2C1 ZINC000027651979 561876696 /nfs/dbraw/zinc/87/66/96/561876696.db2.gz PXQLXHKHOYCSAS-HHHXNRCGSA-N 2 0 501.781 5.503 1 0 KKAFRP C(=C\c1ccccc1)\C[NH+]1CCC(CCCn2c3cccc(OCCC[NH+]4CCCCC4)c3nc2COc2ccccc2)CC1 ZINC000027717684 561880281 /nfs/dbraw/zinc/88/02/81/561880281.db2.gz DSKZBOZPIWASID-WJDWOHSUSA-N 2 0 606.855 8.076 1 0 KKAFRP Oc1cccc2c(Cc3ccc(O[C@@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c(-c3ccc(OCC[NH+]4CCCC4)cc3)sc21 ZINC000027856195 561886649 /nfs/dbraw/zinc/88/66/49/561886649.db2.gz JFGPWYIXQIZBOR-QZCRLSDHSA-N 2 0 610.864 8.515 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000027859295 561886869 /nfs/dbraw/zinc/88/68/69/561886869.db2.gz MSGYHWLXQXHOSG-LQFQNGICSA-N 2 0 594.865 8.810 1 0 KKAFRP CC[N@@H+]1CCC[C@@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027859995 561887045 /nfs/dbraw/zinc/88/70/45/561887045.db2.gz CHXNCLQUSSPPEM-SSEXGKCCSA-N 2 0 540.773 7.497 1 0 KKAFRP c1cncc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2cccnc2)c1 ZINC000027984351 561892069 /nfs/dbraw/zinc/89/20/69/561892069.db2.gz NGSWBKMVOVXLSX-UHFFFAOYSA-N 4 0 524.842 5.997 1 0 KKAFRP CC(C)(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028116357 561903728 /nfs/dbraw/zinc/90/37/28/561903728.db2.gz SNGIHLKZTCMMNQ-LJAQVGFWSA-N 2 0 515.708 6.827 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028456526 561923983 /nfs/dbraw/zinc/92/39/83/561923983.db2.gz DRDQYIOQYQLAEY-KXQOOQHDSA-N 2 0 685.825 6.099 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cn2)cc1)C(=O)/C=C/c1ccccc1 ZINC000028457826 561924291 /nfs/dbraw/zinc/92/42/91/561924291.db2.gz ZIXGJRMFMSBLQY-CAPFRKAQSA-N 2 0 518.705 5.685 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccccc5)cc4)cc3)cc2)cc1 ZINC000028458487 561924544 /nfs/dbraw/zinc/92/45/44/561924544.db2.gz QYNHIQYRGMDBJW-UHFFFAOYSA-N 2 0 548.734 7.561 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028460560 561925084 /nfs/dbraw/zinc/92/50/84/561925084.db2.gz YVCFVCUSYQMJBY-UHFFFAOYSA-N 2 0 523.765 6.471 1 0 KKAFRP CCOCCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CCOCC)c2C)c1C ZINC000028477169 561928391 /nfs/dbraw/zinc/92/83/91/561928391.db2.gz IABALXWZEIGAHJ-UHFFFAOYSA-N 2 0 510.854 6.761 1 0 KKAFRP COC(=O)CCC(=O)OCCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CCOC(=O)CCC(=O)OC)c2C)c1C ZINC000028478059 561928716 /nfs/dbraw/zinc/92/87/16/561928716.db2.gz BNWBFRKWKOEYTE-UHFFFAOYSA-N 2 0 682.946 5.680 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc54)c3)c2)c2ccccc12 ZINC000028520266 561928761 /nfs/dbraw/zinc/92/87/61/561928761.db2.gz JUFZVZAOKUVVBN-UHFFFAOYSA-N 2 0 717.744 11.174 1 0 in-vivo KKAFRP CCC[C@H](C[NH2+]CCCCCC[NH2+]C[C@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522890 561929691 /nfs/dbraw/zinc/92/96/91/561929691.db2.gz KVXBESYMUJUSIW-WMPKNSHKSA-N 2 0 574.766 5.151 1 0 KKAFRP CC(C)(C)c1ccc([C@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523547 561930250 /nfs/dbraw/zinc/93/02/50/561930250.db2.gz UOJQOOAVWIGUTE-LJAQVGFWSA-N 2 0 516.601 7.115 1 0 KKAFRP CC(C)C[C@H](C[NH2+]CCCCCC[NH2+]C[C@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523666 561930262 /nfs/dbraw/zinc/93/02/62/561930262.db2.gz RXFUTRCCDZKXFK-HNRBIFIRSA-N 2 0 602.820 5.643 1 0 KKAFRP COc1cccc(-c2ccccc2)c1CCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646362 561945124 /nfs/dbraw/zinc/94/51/24/561945124.db2.gz QQIBGMDABOGKGQ-UUWRZZSWSA-N 2 0 558.786 5.819 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028646367 561945129 /nfs/dbraw/zinc/94/51/29/561945129.db2.gz MZRITYKFWALVDP-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3c(Cl)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646355 561945159 /nfs/dbraw/zinc/94/51/59/561945159.db2.gz VFCUBGIDVRNDJS-UUWRZZSWSA-N 2 0 563.205 6.464 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646327 561945165 /nfs/dbraw/zinc/94/51/65/561945165.db2.gz XHPVWBPEZTWPSN-XIFFEERXSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646318 561945167 /nfs/dbraw/zinc/94/51/67/561945167.db2.gz PHGQDMRWYCPIEF-UUWRZZSWSA-N 2 0 528.760 5.810 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646414 561945322 /nfs/dbraw/zinc/94/53/22/561945322.db2.gz TXJRKEBVJVHFRQ-RRHRGVEJSA-N 2 0 604.858 7.477 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646410 561945333 /nfs/dbraw/zinc/94/53/33/561945333.db2.gz TXJRKEBVJVHFRQ-FAIXQHPJSA-N 2 0 604.858 7.477 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645954 561944604 /nfs/dbraw/zinc/94/46/04/561944604.db2.gz AVLVOARPRGUPQW-PGUFJCEWSA-N 2 0 545.762 7.086 1 0 KKAFRP COc1ccc(-c2ccccc2CCC[NH+]2CCN(C[C@@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000028646400 561945377 /nfs/dbraw/zinc/94/53/77/561945377.db2.gz NCDIILRSQNVCDL-DHUJRADRSA-N 2 0 558.786 5.819 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028645980 561944701 /nfs/dbraw/zinc/94/47/01/561944701.db2.gz BXMQVSMCTWXOEI-DHUJRADRSA-N 2 0 545.762 7.086 1 0 KKAFRP Fc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C3CC3)CC2)cc1 ZINC000028646165 561944730 /nfs/dbraw/zinc/94/47/30/561944730.db2.gz MDCVCAIQJRDIKA-XIFFEERXSA-N 2 0 514.733 5.441 1 0 KKAFRP Fc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C3CC3)CC2)cc1 ZINC000028646162 561944788 /nfs/dbraw/zinc/94/47/88/561944788.db2.gz MDCVCAIQJRDIKA-MGBGTMOVSA-N 2 0 514.733 5.441 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646240 561944896 /nfs/dbraw/zinc/94/48/96/561944896.db2.gz FBNHMHGIMMCLHO-QNGWXLTQSA-N 2 0 546.803 6.436 1 0 KKAFRP CCC(CC)[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3c(OC)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646283 561944938 /nfs/dbraw/zinc/94/49/38/561944938.db2.gz JUBYDLVPVPMMFB-PGUFJCEWSA-N 2 0 574.829 6.475 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[NH+](C)C)c3)C[C@@H]2C1)C(C)C ZINC000028650169 561945913 /nfs/dbraw/zinc/94/59/13/561945913.db2.gz QKJDKBZVKIQWDC-ZRLKGHKBSA-N 2 0 543.171 7.004 1 0 KKAFRP [NH3+]CCCCC[NH2+]C[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000028768462 561960284 /nfs/dbraw/zinc/96/02/84/561960284.db2.gz BOPFKNIUSGFFMZ-QBLDGPCBSA-N 2 0 677.886 6.927 1 0 KKAFRP O[C@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1 ZINC000028822338 561966865 /nfs/dbraw/zinc/96/68/65/561966865.db2.gz WVCOKTAARUVNSE-MGBGTMOVSA-N 2 0 592.615 6.223 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CC[NH+](C(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824141 561969184 /nfs/dbraw/zinc/96/91/84/561969184.db2.gz ATBBBINZHKVONK-PZWMIYICSA-N 3 0 580.261 5.541 1 0 KKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCc2ccccc2CCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000028861771 561971712 /nfs/dbraw/zinc/97/17/12/561971712.db2.gz NUIIOTTUCXJKCG-ZPGRZCPFSA-N 4 0 540.840 6.621 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864235 561973127 /nfs/dbraw/zinc/97/31/27/561973127.db2.gz LGZCPDJXYFESET-NDEPHWFRSA-N 2 0 598.738 5.424 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873114 561974824 /nfs/dbraw/zinc/97/48/24/561974824.db2.gz MYJTVJZIZDJVKI-UHFFFAOYSA-N 2 0 664.891 6.281 1 0 KKAFRP CN(CC[NH+](C)C)C(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889950 561978168 /nfs/dbraw/zinc/97/81/68/561978168.db2.gz SMIKFMIKCWKYSM-RXFWQSSRSA-N 2 0 537.079 5.821 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000028960066 561983945 /nfs/dbraw/zinc/98/39/45/561983945.db2.gz ZNDISASWORBMME-VATRQPNGSA-N 2 0 596.260 5.186 1 0 KKAFRP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[N@H+](C[C@@]34C[C@]35CC[C@H](CCC[NH+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985701 /nfs/dbraw/zinc/98/57/01/561985701.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 2 0 564.774 6.416 1 0 in-vivo KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4Cl)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953960 561982745 /nfs/dbraw/zinc/98/27/45/561982745.db2.gz FLVCZSXXTUAQDL-WDYNHAJCSA-N 2 0 571.637 6.054 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029130493 562002556 /nfs/dbraw/zinc/00/25/56/562002556.db2.gz MCMJKTRQPMEZMX-PZXMZKPCSA-N 2 0 651.765 5.521 1 0 KKAFRP CCCC[C@H](CC)C[NH+]=c1ccn(CCCCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029233143 562009366 /nfs/dbraw/zinc/00/93/66/562009366.db2.gz OIOQEZPSDPZXGZ-ACHIHNKUSA-N 2 0 522.866 8.565 1 0 KKAFRP Clc1ccc([NH+]=c2ccn(CCCCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029237388 562009800 /nfs/dbraw/zinc/00/98/00/562009800.db2.gz CCNWHXUGNKNILO-UHFFFAOYSA-N 2 0 505.493 7.712 1 0 KKAFRP CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000029335218 562014187 /nfs/dbraw/zinc/01/41/87/562014187.db2.gz CCQMJKWWIQLJHP-CLPBUJSNSA-N 2 0 522.727 5.052 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCOC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389834 562016957 /nfs/dbraw/zinc/01/69/57/562016957.db2.gz BFHQGCXVEJLAPS-XDZXDJIYSA-N 2 0 547.523 5.241 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545225 562029619 /nfs/dbraw/zinc/02/96/19/562029619.db2.gz LHMXAZXVFTUCSN-NCRNUEESSA-N 2 0 674.974 7.073 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036284624 562053141 /nfs/dbraw/zinc/05/31/41/562053141.db2.gz QLNOYTUKDZUEOD-WRVRXEDSSA-N 2 0 636.668 5.483 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036284630 562053145 /nfs/dbraw/zinc/05/31/45/562053145.db2.gz QLNOYTUKDZUEOD-DSPMFFIESA-N 2 0 636.668 5.483 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000036284726 562053386 /nfs/dbraw/zinc/05/33/86/562053386.db2.gz NSFFFSYEDFVOOT-LBFZIJHGSA-N 2 0 634.240 5.011 1 0 KKAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCSCC1 ZINC000036285152 562053909 /nfs/dbraw/zinc/05/39/09/562053909.db2.gz LTWPQLXVDNUDBU-FQLXRVMXSA-N 2 0 583.242 5.058 1 0 KKAFRP CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C(C)C)CC1 ZINC000036285263 562053943 /nfs/dbraw/zinc/05/39/43/562053943.db2.gz GSXDYZPMLCQEKT-ROJLCIKYSA-N 2 0 608.271 5.035 1 0 KKAFRP CC[NH+](CC)C[C@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036285184 562053987 /nfs/dbraw/zinc/05/39/87/562053987.db2.gz BGUKCPVRPFHBPX-FZCBKRAZSA-N 2 0 622.298 5.427 1 0 KKAFRP CC1CC[NH+](CCCC(=O)c2ccc3sc4ccc(C(=O)CCC[NH+]5CCC(C)CC5)cc4c3c2)CC1 ZINC000039208149 562072882 /nfs/dbraw/zinc/07/28/82/562072882.db2.gz CFPHEJMWDQVRRM-UHFFFAOYSA-N 2 0 518.767 7.444 1 0 KKAFRP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CO)N1CCc1c[nH]c2ccccc12 ZINC000040763916 562079361 /nfs/dbraw/zinc/07/93/61/562079361.db2.gz APLXSTNXAUTIFC-CLLHQPRTSA-N 2 0 584.805 5.035 1 0 KKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O ZINC000040892433 562082735 /nfs/dbraw/zinc/08/27/35/562082735.db2.gz GCQBOMHBVPHVMB-NDEPHWFRSA-N 2 0 523.165 5.983 1 0 KKAFRP CCCC[C@H]1C[N@H+](CC2CCOCC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000040913531 562083699 /nfs/dbraw/zinc/08/36/99/562083699.db2.gz GJIANMVZCSNYHP-NDEPHWFRSA-N 2 0 539.809 5.109 1 0 KKAFRP CC(C)[NH+](CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C ZINC000040915067 562083881 /nfs/dbraw/zinc/08/38/81/562083881.db2.gz OYYKUZKRRODNKD-PMERELPUSA-N 2 0 516.774 6.059 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000042803712 562088322 /nfs/dbraw/zinc/08/83/22/562088322.db2.gz JLXTZNCTOFGHRK-HSZRJFAPSA-N 2 0 562.154 6.744 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000042803718 562088340 /nfs/dbraw/zinc/08/83/40/562088340.db2.gz JLXTZNCTOFGHRK-QHCPKHFHSA-N 2 0 562.154 6.744 1 0 KKAFRP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805521 562089159 /nfs/dbraw/zinc/08/91/59/562089159.db2.gz JUIDNHMRFHXGSO-BVHNMNBQSA-N 2 0 624.914 7.057 1 0 KKAFRP COc1cc2c(cc1O)CC[NH+](C)[C@@H]2Cc1ccc(O)c(Oc2ccc(C[C@@H]3c4cc(OC)c(O)cc4CC[N@@H+]3C)cc2)c1 ZINC000085492198 560075230 /nfs/dbraw/zinc/07/52/30/560075230.db2.gz RAZBVKXQVFAIFI-LOYHVIPDSA-N 2 0 596.724 6.156 1 0 biogenic,in-vitro KKAFRP CC[C@@H](C)NC(=[NH2+])c1cccc(OCc2ccc3ccc(COc4cccc(C(=[NH2+])N[C@@H](C)CC)c4)cc3c2)c1 ZINC000043062019 562645196 /nfs/dbraw/zinc/64/51/96/562645196.db2.gz GQLGFYZNWJTXCZ-PSWAGMNNSA-N 2 0 536.720 7.425 1 0 KKAFRP COc1ccc(Cc2nn(C[C@H]3CCC[N@@H+]3CCCCc3ccc(OCCC[NH+]4CCCCCC4)cc3)c(=O)c3ccccc32)cc1 ZINC000043175207 562646575 /nfs/dbraw/zinc/64/65/75/562646575.db2.gz AWKFJGDSZGEFRY-UUWRZZSWSA-N 2 0 636.881 7.128 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000043174936 562646593 /nfs/dbraw/zinc/64/65/93/562646593.db2.gz FNBJPXIAYRUTAU-QFIPXVFZSA-N 2 0 548.127 6.353 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651221 /nfs/dbraw/zinc/65/12/21/562651221.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 2 0 526.743 5.943 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(C=Cc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044351599 562654784 /nfs/dbraw/zinc/65/47/84/562654784.db2.gz UHCPUYGUULWMNV-AATRIKPKSA-N 2 0 580.740 7.590 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044358520 562655313 /nfs/dbraw/zinc/65/53/13/562655313.db2.gz YFVQNYPJIZQYSQ-VBQVRTRESA-N 2 0 546.752 5.846 1 0 KKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167585 562657994 /nfs/dbraw/zinc/65/79/94/562657994.db2.gz IKDJAOXFRNRZIU-NDEPHWFRSA-N 2 0 533.738 6.163 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(CCCN3CC[NH+](C)CC3)C(=O)CCC3CCCC3)cc2)cc1 ZINC000045191968 562658605 /nfs/dbraw/zinc/65/86/05/562658605.db2.gz IZLHEOUPONLUBO-UHFFFAOYSA-N 2 0 532.817 6.036 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(CCCN3CC[NH+](C)CC3)C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000045193165 562658696 /nfs/dbraw/zinc/65/86/96/562658696.db2.gz USGAJIULKJQPFG-XMHGGMMESA-N 2 0 538.780 5.779 1 0 KKAFRP O=C(CC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000045194385 562658823 /nfs/dbraw/zinc/65/88/23/562658823.db2.gz JOMBAFSPQJBHFZ-UMSFTDKQSA-N 2 0 535.776 6.662 1 0 KKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658887 /nfs/dbraw/zinc/65/88/87/562658887.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 2 0 503.691 5.557 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(-c2cccc(C[NH+]3CCC(c4ccccc4)CC3)c2)c(C(=O)NCC2CCCCC2)c1 ZINC000045202213 562659125 /nfs/dbraw/zinc/65/91/25/562659125.db2.gz COQKGEQAYZCRLM-UHFFFAOYSA-N 2 0 537.792 7.541 1 0 KKAFRP COc1ccccc1-c1cccc2c(NC(=O)Nc3ccc4[nH+]ccc(N5CC[NH+](C)CC5)c4c3)ccnc21 ZINC000045228127 562659451 /nfs/dbraw/zinc/65/94/51/562659451.db2.gz WKBMOFKGZJTGCY-UHFFFAOYSA-N 2 0 518.621 5.854 1 0 KKAFRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)cc2)CC1 ZINC000045230019 562659576 /nfs/dbraw/zinc/65/95/76/562659576.db2.gz XURSSSYRBDZRKD-UHFFFAOYSA-N 2 0 523.685 5.483 1 0 KKAFRP Cc1cc([C@H]2CCCC[N@@H+]2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045301746 562660547 /nfs/dbraw/zinc/66/05/47/562660547.db2.gz RZWZITKJKXKDSG-WJOKGBTCSA-N 2 0 535.732 6.378 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000045302482 562660704 /nfs/dbraw/zinc/66/07/04/562660704.db2.gz JICHOECHJUCXDF-UUWRZZSWSA-N 2 0 538.780 6.522 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCc2ccc(CCNc3c4ccccc4[nH+]c4c3CCCC4)cc2)CCCC1 ZINC000045506585 562662880 /nfs/dbraw/zinc/66/28/80/562662880.db2.gz DKBNUKQRQVQZQY-UHFFFAOYSA-N 2 0 526.728 7.850 1 0 KKAFRP C[C@H](Cc1ccc(OCCCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000048307341 562662999 /nfs/dbraw/zinc/66/29/99/562662999.db2.gz YKYPLKQLJHRQBH-UYPYDWMASA-N 2 0 679.729 8.130 1 0 KKAFRP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664292 /nfs/dbraw/zinc/66/42/92/562664292.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 2 0 516.693 6.155 1 0 KKAFRP C[n+]1ccc2c3ccccc3n(CCCCCCCCCCCCn3c4ccccc4c4cc[n+](C)cc43)c2c1 ZINC000049088427 562664342 /nfs/dbraw/zinc/66/43/42/562664342.db2.gz PCEOSWRRLHSSOC-UHFFFAOYSA-N 2 0 532.776 8.153 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccccc2CN(C(=O)NCCc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049605057 562665304 /nfs/dbraw/zinc/66/53/04/562665304.db2.gz JPLSEALCFXLEDB-UHFFFAOYSA-N 2 0 588.840 7.518 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(C[NH2+]C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049605134 562665416 /nfs/dbraw/zinc/66/54/16/562665416.db2.gz ZOYNKCKROJOPRV-UHFFFAOYSA-N 2 0 568.787 5.239 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605317 562665666 /nfs/dbraw/zinc/66/56/66/562665666.db2.gz CIRKMYZTGAYXAM-ZEQRLZLVSA-N 2 0 609.041 8.383 1 0 KKAFRP CCCC[NH+](CCCC)CCCN(CCC[NH+](CCCC)CCCC)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 ZINC000049613931 562666489 /nfs/dbraw/zinc/66/64/89/562666489.db2.gz AWWJWEMOLRHUMY-UHFFFAOYSA-N 2 0 573.314 8.573 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]C3CCCC3)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626332 562667169 /nfs/dbraw/zinc/66/71/69/562667169.db2.gz OEUHUYHKJJCPPG-UHFFFAOYSA-N 2 0 572.797 8.085 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)c2)C(=O)c2cccs2)CC1 ZINC000049626734 562667316 /nfs/dbraw/zinc/66/73/16/562667316.db2.gz YQGAYSWBWUGKNE-UHFFFAOYSA-N 2 0 566.815 6.027 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1cccc(-c2cccc(C[NH2+]C3CCCC3)c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626828 562667357 /nfs/dbraw/zinc/66/73/57/562667357.db2.gz HSGPQTNJIJLNST-UHFFFAOYSA-N 2 0 578.845 7.895 1 0 KKAFRP c1ccc(-c2cc(NCCCCCCCCNc3cc(-c4ccccc4)[nH+]c4ccccc34)c3ccccc3[nH+]2)cc1 ZINC000049639243 562667737 /nfs/dbraw/zinc/66/77/37/562667737.db2.gz FNIDRCPXJSYPFT-UHFFFAOYSA-N 2 0 550.750 9.982 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049650105 562668003 /nfs/dbraw/zinc/66/80/03/562668003.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 2 0 730.833 8.512 1 0 KKAFRP C[NH+]1CCC(CCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000049709442 562671311 /nfs/dbraw/zinc/67/13/11/562671311.db2.gz COBIADBVPGXSFP-OHMLLRHZSA-N 2 0 589.583 5.731 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049722910 562672715 /nfs/dbraw/zinc/67/27/15/562672715.db2.gz VHJGXDYWFWCFIV-UHFFFAOYSA-N 2 0 644.860 7.881 1 0 KKAFRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049723105 562672967 /nfs/dbraw/zinc/67/29/67/562672967.db2.gz QETBJDUNCHATJL-RRPNLBNLSA-N 2 0 611.230 7.077 1 0 KKAFRP CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049756502 562675069 /nfs/dbraw/zinc/67/50/69/562675069.db2.gz IBJNOMORYJAHAC-FCWKBUCQSA-N 2 0 604.883 8.129 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCC3)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000049756571 562675098 /nfs/dbraw/zinc/67/50/98/562675098.db2.gz MVUUCLIBIFLZSO-UHFFFAOYSA-N 2 0 551.662 6.202 1 0 KKAFRP Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049756619 562675166 /nfs/dbraw/zinc/67/51/66/562675166.db2.gz ZNBAGMAUOGPTIP-FWOCMLHMSA-N 2 0 562.802 6.866 1 0 KKAFRP COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049762359 562676503 /nfs/dbraw/zinc/67/65/03/562676503.db2.gz XEUBLCSMUGHTPV-SVBPBHIXSA-N 2 0 584.204 7.128 1 0 KKAFRP O=C(C[C@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000049763096 562676810 /nfs/dbraw/zinc/67/68/10/562676810.db2.gz GXNZUCYHXRTKIT-CXNSMIOJSA-N 2 0 755.016 8.824 1 0 KKAFRP O=C(NCCC[NH2+]CCC[NH2+]CCCNC(=O)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049775641 562679147 /nfs/dbraw/zinc/67/91/47/562679147.db2.gz CVBFCSBNMQUOGI-UHFFFAOYSA-N 2 0 662.923 6.379 1 0 KKAFRP S=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000049777657 562680375 /nfs/dbraw/zinc/68/03/75/562680375.db2.gz VBVJXFIGWLRSMT-UHFFFAOYSA-N 2 0 695.059 7.404 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049780081 562681302 /nfs/dbraw/zinc/68/13/02/562681302.db2.gz ZHNVEXZKXNWTHM-FXRCYNNESA-N 3 0 725.911 7.980 1 0 KKAFRP FC(F)(F)c1cccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780510 562681800 /nfs/dbraw/zinc/68/18/00/562681800.db2.gz FEDVYUAIZCBRJF-ITMZJIMRSA-N 3 0 723.972 7.069 1 0 KKAFRP CC(C)S(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049781022 562682511 /nfs/dbraw/zinc/68/25/11/562682511.db2.gz UBGAVECNCYJIIH-VWLOTQADSA-N 2 0 675.859 5.038 1 0 KKAFRP COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N@@H+]2C[C@]4(C[C@@H]5C[C@]67CCC[C@H]6CC[NH+]6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049793359 562684780 /nfs/dbraw/zinc/68/47/80/562684780.db2.gz NYMWFPKWCFFOGM-LHZGGTCYSA-N 2 0 716.923 5.174 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[NH+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793623 562685023 /nfs/dbraw/zinc/68/50/23/562685023.db2.gz FLZIGWGEPLAQCW-DIPNUNPCSA-N 2 0 623.879 6.115 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049802154 562685528 /nfs/dbraw/zinc/68/55/28/562685528.db2.gz FLVUGMGNWRQWAO-HHHXNRCGSA-N 2 0 706.901 5.100 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)CC[NH+]5CCCC5)cc4)cc3)cc2)cc1 ZINC000049833265 562687643 /nfs/dbraw/zinc/68/76/43/562687643.db2.gz ATRFBARYMDSKML-UHFFFAOYSA-N 2 0 730.870 6.684 1 0 KKAFRP C[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1)c1ccc(F)cc1 ZINC000049841304 562688219 /nfs/dbraw/zinc/68/82/19/562688219.db2.gz KYUJVELECIVHKH-NOWQQFBNSA-N 2 0 650.839 5.911 1 0 KKAFRP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(OC(C)=O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049841534 562688456 /nfs/dbraw/zinc/68/84/56/562688456.db2.gz CYJAFXVWQWMEGQ-CCERQUPFSA-N 2 0 648.848 7.352 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@H+](C)CC4)CC[NH+]1C ZINC000049898844 562692913 /nfs/dbraw/zinc/69/29/13/562692913.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 2 0 652.788 7.171 1 0 KKAFRP [NH3+]CCc1c2cc(O)c([C@@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902780 562693358 /nfs/dbraw/zinc/69/33/58/562693358.db2.gz CYAJKOUHPRYFRD-DHIUTWEWSA-N 3 0 650.419 6.044 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917826 562693966 /nfs/dbraw/zinc/69/39/66/562693966.db2.gz XIDKIJYNPFEMEI-UHFFFAOYSA-N 2 0 666.866 7.791 1 0 KKAFRP COCC[NH2+]Cc1cccc(-c2ccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000049917834 562694011 /nfs/dbraw/zinc/69/40/11/562694011.db2.gz CMRJJOVPJCBPMY-UHFFFAOYSA-N 2 0 568.806 6.599 1 0 KKAFRP FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)c4)cc3)nc2c1 ZINC000049917996 562694249 /nfs/dbraw/zinc/69/42/49/562694249.db2.gz WCIBIZWAOOURFA-UHFFFAOYSA-N 2 0 546.681 8.004 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]C(C)C)cc3I)c2)c(I)c1 ZINC000049918201 562694624 /nfs/dbraw/zinc/69/46/24/562694624.db2.gz HGACBSJMMHRHIL-UHFFFAOYSA-N 2 0 684.400 7.050 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000049937631 562695020 /nfs/dbraw/zinc/69/50/20/562695020.db2.gz HWYQOUFONYZMHA-GMTSZFNJSA-N 2 0 650.695 5.525 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](Cc2cccc(Oc3ccccc3)c2)Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000049938422 562695307 /nfs/dbraw/zinc/69/53/07/562695307.db2.gz AOAAPUUOAQPXBG-UHFFFAOYSA-N 2 0 726.365 9.985 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+] ZINC000058609094 562700989 /nfs/dbraw/zinc/70/09/89/562700989.db2.gz RFAPAGLZKXSKCD-SPWOZAQASA-N 3 0 631.913 5.867 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(CN4CC[NH+](C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000064394232 562704966 /nfs/dbraw/zinc/70/49/66/562704966.db2.gz MSGLJZRUHLHKNC-CUQOEXLPSA-N 2 0 598.251 6.690 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(C[N@@H+]4CC[C@H](O)C4)c3)C[C@@H]2C1)C(C)C ZINC000064426553 562705111 /nfs/dbraw/zinc/70/51/11/562705111.db2.gz BDQHGDPMNLDROP-PTDGJBAJSA-N 2 0 585.208 6.509 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074419 562709842 /nfs/dbraw/zinc/70/98/42/562709842.db2.gz BEKQWPIRNPOIER-JGCGQSQUSA-N 2 0 562.762 5.602 1 0 KKAFRP COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+]CCNCC[NH2+]CCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157322 562713938 /nfs/dbraw/zinc/71/39/38/562713938.db2.gz JJFDWZFWKICBDZ-UIOOFZCWSA-N 2 0 587.813 5.430 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000068106040 562715776 /nfs/dbraw/zinc/71/57/76/562715776.db2.gz NLEWMFKEAMXROY-DHUJRADRSA-N 2 0 717.329 6.857 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@@H]1CCC[N@@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000071316175 562717853 /nfs/dbraw/zinc/71/78/53/562717853.db2.gz YANGEESWIGIKOP-UMSFTDKQSA-N 2 0 641.300 7.773 1 0 KKAFRP C(=C/c1ccc(C[n+]2ccc(N3CCCCC3)cc2)cc1)\c1ccc(C[n+]2ccc(N3CCCCC3)cc2)cc1 ZINC000071332218 562719361 /nfs/dbraw/zinc/71/93/61/562719361.db2.gz PCVKKVYHZOWQKX-BQYQJAHWSA-N 2 0 530.760 6.509 1 0 KKAFRP COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4CCCC[C@@]34CC[N@@H+]2C)c2c(c1O)[C@]13CCCC[C@@H]1[C@H](C2)[NH+](C)CC3 ZINC000071334255 562719512 /nfs/dbraw/zinc/71/95/12/562719512.db2.gz LOTMIRDLTGQXIY-ZPFFKMGWSA-N 2 0 572.790 6.158 1 0 KKAFRP O=C(OCc1ccccc1)N(CCCCN(CCC[NH2+]Cc1ccccc1)C(=O)OCc1ccccc1)CCC[NH2+]Cc1ccccc1 ZINC000072126789 562725384 /nfs/dbraw/zinc/72/53/84/562725384.db2.gz XJHNORLJONUTKI-UHFFFAOYSA-N 2 0 650.864 7.404 3 0 KKAFRP COc1cc2c(cc1OC)CN(c1cc[n+](Cc3ccc(-c4ccc(C[n+]5ccc(N6CCc7cc(OC)c(OC)cc7C6)cc5)cc4)cc3)cc1)CC2 ZINC000072134037 562727144 /nfs/dbraw/zinc/72/71/44/562727144.db2.gz KYKDGFLTXNXLFE-UHFFFAOYSA-N 2 0 720.914 7.185 1 0 KKAFRP C[NH+]1CCN(CCC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197984 562735585 /nfs/dbraw/zinc/73/55/85/562735585.db2.gz WPYWZSXQTBXJDD-KEANYWJXSA-N 3 0 500.775 5.284 1 0 KKAFRP C[NH+](C)CCCNc1nc(NCCc2ccc(Cl)cc2Cl)nc(NCCc2ccc(Cl)cc2Cl)[nH+]1 ZINC000073200554 562736182 /nfs/dbraw/zinc/73/61/82/562736182.db2.gz NFDMYZSUECLIRS-UHFFFAOYSA-N 2 0 557.357 6.158 1 0 KKAFRP CC(C)[NH+](Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(C[NH+](C(C)C)C(C)C)cc5)o4)c3)o2)cc1)C(C)C ZINC000084687442 562748923 /nfs/dbraw/zinc/74/89/23/562748923.db2.gz GZMXGYIFNBYRHD-UHFFFAOYSA-N 2 0 590.812 9.568 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)CCc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084738825 562751954 /nfs/dbraw/zinc/75/19/54/562751954.db2.gz BQJYGXHBKYDNDO-HTOJEEBVSA-N 2 0 687.864 5.900 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084757109 562752359 /nfs/dbraw/zinc/75/23/59/562752359.db2.gz ZFCWOHLERVDCGH-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP [NH3+]CCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCC[NH+]1CCCC1 ZINC000095539696 562755226 /nfs/dbraw/zinc/75/52/26/562755226.db2.gz LTPVZSWFAVYBIG-BCRBLDSWSA-N 3 0 811.806 6.039 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCCCCCCCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000095540776 562755992 /nfs/dbraw/zinc/75/59/92/562755992.db2.gz MYHIERWDBFTJDQ-UHFFFAOYSA-N 2 0 799.023 11.222 1 0 in-vitro KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757127 /nfs/dbraw/zinc/75/71/27/562757127.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 2 0 799.832 7.789 1 0 in-vivo KKAFRP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OCCC[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000095544661 562757777 /nfs/dbraw/zinc/75/77/77/562757777.db2.gz FHMWRCSIRLHLAI-OUKQBFOZSA-N 2 0 788.053 9.678 1 0 KKAFRP CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)C[NH+](C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[N@@H+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763404 /nfs/dbraw/zinc/76/34/04/562763404.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 2 0 806.017 5.107 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577580 562771044 /nfs/dbraw/zinc/77/10/44/562771044.db2.gz SWQCJRBNEYNZAJ-RHKDRHLBSA-N 2 0 562.839 6.852 1 0 KKAFRP CC[NH+](CC)CCOc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)c1 ZINC000095578963 562771419 /nfs/dbraw/zinc/77/14/19/562771419.db2.gz VKYASPBNOSOSCP-UHFFFAOYSA-N 2 0 646.872 9.513 1 0 KKAFRP C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000095586130 562773794 /nfs/dbraw/zinc/77/37/94/562773794.db2.gz YHAYNOOYIAKTDL-HCHQQDLUSA-N 2 0 562.758 5.062 1 0 KKAFRP CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(C[NH3+])c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095607595 562782886 /nfs/dbraw/zinc/78/28/86/562782886.db2.gz KJSWDFIBFZJKOY-TWNSHOTESA-N 2 0 589.800 5.486 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1cccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c21)C(=O)NCC[NH+]1CCCC1 ZINC000095607876 562783223 /nfs/dbraw/zinc/78/32/23/562783223.db2.gz KGKNHASRAYVNOV-ZPGRZCPFSA-N 3 0 797.779 5.649 1 0 KKAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCC[NH2+]C5CCCCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000095614961 562786979 /nfs/dbraw/zinc/78/69/79/562786979.db2.gz QBLZYKKAWYRHTR-UHFFFAOYSA-N 2 0 822.481 6.335 1 0 KKAFRP CCCC[n+]1cccc2cc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)ccc21 ZINC000095882155 562790186 /nfs/dbraw/zinc/79/01/86/562790186.db2.gz QBTPRRABMWQQLA-DEDYPNTBSA-P 2 0 558.726 7.072 1 0 KKAFRP CCCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)c(N)c3)ccc21 ZINC000095882166 562790214 /nfs/dbraw/zinc/79/02/14/562790214.db2.gz CEJLGVLXLKVRMA-UHFFFAOYSA-P 2 0 575.757 7.035 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCC(F)(F)CC1)nc(C1CCOCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285776 562795918 /nfs/dbraw/zinc/79/59/18/562795918.db2.gz JYYXMSRRFMAUHA-UHFFFAOYSA-N 2 0 561.718 5.317 1 0 KKAFRP CC[NH+](CC)CC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096908901 562799460 /nfs/dbraw/zinc/79/94/60/562799460.db2.gz YVXJMSXEGQTEBP-UHFFFAOYSA-N 2 0 553.711 5.193 1 0 KKAFRP CCC[NH+](CCC)C[C@@H](O)COc1ccc2c(c1)occ(-c1ccc(OC[C@@H](O)C[NH+](CCC)CCC)cc1)c2=O ZINC000096924089 562802245 /nfs/dbraw/zinc/80/22/45/562802245.db2.gz RZFCFUJOEZHIFR-RRPNLBNLSA-N 2 0 568.755 5.183 1 0 KKAFRP c1nc(-c2cccc(OCC[NH+]3CCCC3)c2)oc1-c1cccc(-c2cnc(-c3cccc(OCC[NH+]4CCCC4)c3)o2)c1 ZINC000096935085 562804056 /nfs/dbraw/zinc/80/40/56/562804056.db2.gz QJPWPWCPDIHTEN-UHFFFAOYSA-N 2 0 590.724 7.280 1 0 KKAFRP C/C=C1\C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CC[N@H+]6C/C(=C\C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000098085603 562805873 /nfs/dbraw/zinc/80/58/73/562805873.db2.gz DOUZLKPMUCNEOS-MQWNNBINSA-N 2 0 614.834 5.483 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000098208928 562806063 /nfs/dbraw/zinc/80/60/63/562806063.db2.gz YOFBQJDVODUYIM-UHFFFAOYSA-N 2 0 577.216 7.411 1 0 in-vitro KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2)C1C(=O)OC ZINC000100043141 562806328 /nfs/dbraw/zinc/80/63/28/562806328.db2.gz VOLPZSTTWFCARR-UTDZTPKCSA-N 2 0 574.722 5.574 1 0 KKAFRP CCN1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](CC3=CC[C@@H]2[NH+]=C1C(C)C)C(=O)C[C@]1(C)[C@@H]([C@H](C)[NH+](C)C)[C@H](O)C[C@@]41C ZINC000101422216 562810623 /nfs/dbraw/zinc/81/06/23/562810623.db2.gz GFPVUVWOUXWVMM-FRQZXBGDSA-N 2 0 511.795 5.430 1 0 KKAFRP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000101892973 562812333 /nfs/dbraw/zinc/81/23/33/562812333.db2.gz BQIVPPWUXSHORF-PZZBLJSHSA-N 2 0 610.843 5.579 1 0 KKAFRP c1cc(C(=C2CCCC2)c2ccc(OCC[NH+]3CCCCCC3)cc2)ccc1OCC[NH+]1CCCCCC1 ZINC000103230584 562818249 /nfs/dbraw/zinc/81/82/49/562818249.db2.gz SOBUOEXYMAJAHF-UHFFFAOYSA-N 2 0 516.770 7.572 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240418 562819455 /nfs/dbraw/zinc/81/94/55/562819455.db2.gz FXCMIAWJXXHNLL-PGUFJCEWSA-N 2 0 586.784 5.788 1 0 KKAFRP CN(CCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccn2)cc1 ZINC000103240401 562819471 /nfs/dbraw/zinc/81/94/71/562819471.db2.gz TZWNEAYZBARLCQ-UMSFTDKQSA-N 2 0 574.773 6.668 1 0 KKAFRP CN(CCCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240408 562819490 /nfs/dbraw/zinc/81/94/90/562819490.db2.gz ZXIIEFDPYXNFCM-BHVANESWSA-N 2 0 587.812 7.663 1 0 KKAFRP F[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](F)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251438 562820356 /nfs/dbraw/zinc/82/03/56/562820356.db2.gz JMSJEFQOPVRDPV-UHFFFAOYSA-N 2 0 508.576 5.359 1 0 KKAFRP CC(C)CCCN1C(N)=[NH+]C[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=[NH2+] ZINC000103251699 562820396 /nfs/dbraw/zinc/82/03/96/562820396.db2.gz GFZCQXKNPODXJK-URLMMPGGSA-N 2 0 587.695 6.698 1 0 KKAFRP O=c1oc2ccccc2c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000103267539 562822412 /nfs/dbraw/zinc/82/24/12/562822412.db2.gz GEECYTBJRJZNBL-UHFFFAOYSA-N 2 0 552.715 6.856 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105485383 562825274 /nfs/dbraw/zinc/82/52/74/562825274.db2.gz ZBDGREIBILVVBE-IZLXSDGUSA-N 2 0 576.693 7.251 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH2+][C@H]3CC[C@@H]([NH3+])CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118787431 562830573 /nfs/dbraw/zinc/83/05/73/562830573.db2.gz WDKPXBMAYNJPHO-MCGPDIAISA-N 2 0 576.181 7.125 1 0 KKAFRP COc1cc2c(cc1OC)C[N@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000136985572 562831323 /nfs/dbraw/zinc/83/13/23/562831323.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 2 0 611.827 5.717 1 0 KKAFRP CC[C@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000144021863 562835681 /nfs/dbraw/zinc/83/56/81/562835681.db2.gz XBKHTHKBQDTZPE-OMRBPYCYSA-N 3 0 619.902 5.513 1 0 KKAFRP CCCCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCCC)c4)cc3)ccc21 ZINC000146818198 562838838 /nfs/dbraw/zinc/83/88/38/562838838.db2.gz UEVUGSSUMMUTJJ-UHFFFAOYSA-P 2 0 588.796 8.233 1 0 KKAFRP C[NH+]1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000146995889 562839092 /nfs/dbraw/zinc/83/90/92/562839092.db2.gz QXMKRYIVLYFHPN-BGLPIVGWSA-N 2 0 561.529 5.093 1 0 KKAFRP Cc1ccc(C[NH2+]CCCC[NH2+]CCCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000148123411 562840279 /nfs/dbraw/zinc/84/02/79/562840279.db2.gz NRSDSNGUEPJHAF-UHFFFAOYSA-N 2 0 529.729 5.166 1 0 KKAFRP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@H+](C)CC5)c(O)c1-3 ZINC000150523067 562843598 /nfs/dbraw/zinc/84/35/98/562843598.db2.gz YROMNPOPNCSEGR-LQFQNGICSA-N 2 0 758.960 6.633 1 0 KKAFRP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169861 562849237 /nfs/dbraw/zinc/84/92/37/562849237.db2.gz IZCZXQSGSYYKSO-TWHRXLCVSA-N 3 0 761.944 8.423 1 0 KKAFRP CN(CCCC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163607951 562849392 /nfs/dbraw/zinc/84/93/92/562849392.db2.gz CYMUVEHHMNKYST-FAIXQHPJSA-N 2 0 788.946 6.047 1 0 KKAFRP COc1cc(N(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000164683639 562849682 /nfs/dbraw/zinc/84/96/82/562849682.db2.gz GJTYLBHZSBMEKJ-BHVANESWSA-N 2 0 719.839 5.799 1 0 KKAFRP CC[C@@H]1CCC[N@H+](CCc2c3ccccc3n3c2[C@H](CO)CC[C@]3(CO)c2[nH]c3ccccc3c2CC[NH+]2CCC[C@H](CC)C2)C1 ZINC000169291671 562851934 /nfs/dbraw/zinc/85/19/34/562851934.db2.gz JUIDNHMRFHXGSO-IVDOMESRSA-N 2 0 624.914 7.057 1 0 KKAFRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)C[NH+]4C[C@@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296754 562852462 /nfs/dbraw/zinc/85/24/62/562852462.db2.gz MSTVIUSEPJSWBX-PDZDBSMNSA-N 2 0 882.411 8.498 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(C3CCCCC3)cc2)CC1 ZINC000169307076 562853693 /nfs/dbraw/zinc/85/36/93/562853693.db2.gz UXXQLRYGOCERCR-DHUJRADRSA-N 2 0 592.832 6.169 1 0 KKAFRP Cc1nn(-c2c(F)cccc2C[NH+](C)C)cc1C[NH+]1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308846 562854211 /nfs/dbraw/zinc/85/42/11/562854211.db2.gz NNOVVEMYYNWICL-UHFFFAOYSA-N 2 0 525.040 5.710 1 0 KKAFRP NC(=[NH2+])c1ccc(OCCCCCCCCOc2ccc(C(N)=[NH2+])cc2I)c(I)c1 ZINC000169318685 562856096 /nfs/dbraw/zinc/85/60/96/562856096.db2.gz AWHFRAHOLOQKIY-UHFFFAOYSA-N 2 0 634.300 5.262 1 0 KKAFRP NC(=[NH2+])c1ccc(OCc2cccc(-c3cccc(COc4ccc(C(N)=[NH2+])cc4Br)c3)c2)c(Br)c1 ZINC000169318700 562856105 /nfs/dbraw/zinc/85/61/05/562856105.db2.gz OQBUBUCHAKKSKV-UHFFFAOYSA-N 2 0 608.334 6.605 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000169323321 562856998 /nfs/dbraw/zinc/85/69/98/562856998.db2.gz NKHXRZSJUJKIDV-UMSFTDKQSA-N 2 0 703.302 6.466 1 0 KKAFRP CN(C(=O)[C@H](CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000169325813 562857688 /nfs/dbraw/zinc/85/76/88/562857688.db2.gz BWAQGKDPIWERFY-RNAHPLFWSA-N 2 0 670.613 5.459 1 0 KKAFRP C[NH2+]CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1 ZINC000169330153 562858670 /nfs/dbraw/zinc/85/86/70/562858670.db2.gz YYCLLQXDASNBOC-QTQRRKOQSA-N 2 0 698.667 5.421 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)C34CCC(C(=O)Nc5ccc(C(=O)Nc6ccc[n+](CCC)c6)cc5)(CC3)CC4)cc2)c1 ZINC000169332638 562859212 /nfs/dbraw/zinc/85/92/12/562859212.db2.gz HXOFKMXSPCITKN-UHFFFAOYSA-P 2 0 674.846 6.504 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)cc3)cc2)c1 ZINC000169333073 562859234 /nfs/dbraw/zinc/85/92/34/562859234.db2.gz XNZRUAZBGBQBLK-UHFFFAOYSA-P 2 0 614.706 5.311 1 0 KKAFRP COc1c(Br)cc(/C=C/C(=O)NCCC[NH2+]CCC[NH2+]CCCNC(=O)/C=C/c2cc(Br)c(OC)c(Br)c2)cc1Br ZINC000169346599 562861844 /nfs/dbraw/zinc/86/18/44/562861844.db2.gz MXXLTIIKJOFCPS-CDJQDVQCSA-N 2 0 824.247 6.062 1 0 KKAFRP CCC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCC[NH+]4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3[C@@H](C1)C2 ZINC000210212801 562877010 /nfs/dbraw/zinc/87/70/10/562877010.db2.gz PGEVOJWBZHSHAR-UHSQPCAPSA-N 2 0 600.247 8.221 1 0 KKAFRP O=C(CCCC(=O)OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000299830932 562885406 /nfs/dbraw/zinc/88/54/06/562885406.db2.gz ZNZYEIAZHCDSRA-UHFFFAOYSA-N 2 0 847.827 10.137 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299836584 562887236 /nfs/dbraw/zinc/88/72/36/562887236.db2.gz NPZPAMQSTILFKK-XAZDILKDSA-N 2 0 679.780 11.946 1 0 KKAFRP COc1cc(C[NH2+]CCCCN2CC[NH+](CC(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000299855804 562891749 /nfs/dbraw/zinc/89/17/49/562891749.db2.gz GLWPPAZJNWEESS-UHFFFAOYSA-N 2 0 517.714 5.032 1 0 KKAFRP Cc1cc2ccc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2oc1=O ZINC000299861632 562893393 /nfs/dbraw/zinc/89/33/93/562893393.db2.gz LSWKLICEAUQVMA-UHFFFAOYSA-N 2 0 526.681 5.027 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863849 562893969 /nfs/dbraw/zinc/89/39/69/562893969.db2.gz LRIVUPRHLMQOGF-ZEWDBUAUSA-N 2 0 606.166 6.980 1 0 KKAFRP Cc1ccccc1C[NH2+]C[C@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299867262 562894835 /nfs/dbraw/zinc/89/48/35/562894835.db2.gz QANXQUIDCAPTKB-YTTGMZPUSA-N 2 0 594.825 5.558 1 0 KKAFRP Cc1cc(=[NH+]CCCCCCCCCCCC[NH+]=c2cc(C)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1 ZINC000377551734 562895900 /nfs/dbraw/zinc/89/59/00/562895900.db2.gz VOTIKAACBPRPJE-UHFFFAOYSA-N 2 0 662.966 10.712 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc(cc4)-c4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377567323 562895909 /nfs/dbraw/zinc/89/59/09/562895909.db2.gz RHHJHABUBKNOCL-UHFFFAOYSA-N 2 0 658.849 10.304 1 0 KKAFRP C1=Cc2ccc(cc2)CN2C=CC(=[NH+]Cc3ccc(cc3)Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc1cc4)c1ccccc13)c1ccccc12 ZINC000377567254 562895917 /nfs/dbraw/zinc/89/59/17/562895917.db2.gz FBVYBDZRWLPLRN-IBVJFTNLSA-N 2 0 684.887 10.808 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)-c3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc5c(c4)Cc4cc(ccc4-5)CN2C=C1)c1ccccc13 ZINC000377578547 562895919 /nfs/dbraw/zinc/89/59/19/562895919.db2.gz ROGFDFGIYABUSU-UHFFFAOYSA-N 2 0 656.833 10.285 1 0 KKAFRP Cc1cc(=[NH+]Cc2ccccc2)c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH+]Cc2ccccc2)c2ccccc21 ZINC000377843329 562896335 /nfs/dbraw/zinc/89/63/35/562896335.db2.gz QJGDSKVTCUMVPB-UHFFFAOYSA-N 2 0 634.912 10.236 1 0 KKAFRP COc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(OC)cc13 ZINC000377846051 562896350 /nfs/dbraw/zinc/89/63/50/562896350.db2.gz NLRBNHGXOMPHNV-UHFFFAOYSA-N 2 0 552.678 7.064 1 0 KKAFRP FC(F)(F)c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(C(F)(F)F)cc13 ZINC000377853468 562896550 /nfs/dbraw/zinc/89/65/50/562896550.db2.gz ZNZJUFYAWOVYAD-UHFFFAOYSA-N 2 0 628.620 9.084 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCC([NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000473102890 562898075 /nfs/dbraw/zinc/89/80/75/562898075.db2.gz LLMKKBJCGLWVGL-LUQTXGNESA-N 2 0 576.181 6.602 1 0 KKAFRP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4cccc(-c5ccc(-c6nc7cc(C(N)=[NH2+])ccc7[nH]6)cc5)n4)cc3)nc2c1 ZINC000473160586 562902740 /nfs/dbraw/zinc/90/27/40/562902740.db2.gz YNYLBUNGEALXOI-UHFFFAOYSA-N 2 0 547.626 6.070 1 0 KKAFRP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(OCc4cccc(COc5ccc(-c6nc7cc(C(N)=[NH2+])ccc7[nH]6)cc5)n4)cc3)nc2c1 ZINC000473160523 562902767 /nfs/dbraw/zinc/90/27/67/562902767.db2.gz YFFNKZAHSSQXEE-UHFFFAOYSA-N 2 0 607.678 5.894 1 0 KKAFRP O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC1 ZINC000473165267 562902944 /nfs/dbraw/zinc/90/29/44/562902944.db2.gz VMHYHAFCWNMERH-UKIBZPOASA-N 2 0 514.016 5.944 1 0 KKAFRP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236395 562904642 /nfs/dbraw/zinc/90/46/42/562904642.db2.gz CNIZVMPOGMXZSM-MVQHYNIRSA-N 2 0 581.871 5.367 1 0 KKAFRP O=C1c2cc(OCCCCCCCC[NH+]3CCCCC3)ccc2-c2ccc(OCCCCCCCC[NH+]3CCCCC3)cc21 ZINC000653730244 562909433 /nfs/dbraw/zinc/90/94/33/562909433.db2.gz NSTONXYMMUEOHU-UHFFFAOYSA-N 2 0 602.904 9.309 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@H]4C=C[C@@]56C[N@@H+](C)CCc7ccc(OC)c(c75)O[C@H]6C4)C=C[C@@]31C[NH+](C)CC2 ZINC000653836218 562914720 /nfs/dbraw/zinc/91/47/20/562914720.db2.gz KFHVPQSLLUJBGB-RMZLRQEBSA-N 2 0 740.938 6.242 1 0 KKAFRP CCO[C@@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@@H](OCC)CC4)c2C1 ZINC000653913887 562917825 /nfs/dbraw/zinc/91/78/25/562917825.db2.gz OQYUUFBXSSRQOH-ISILISOKSA-N 2 0 677.761 8.976 1 0 KKAFRP COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[N@H+](C)CC5)OCO4)CC[NH+]1C ZINC000085540986 565138963 /nfs/dbraw/zinc/13/89/63/565138963.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 2 0 666.771 6.891 1 0 biogenic,in-vitro KKAFRP COc1cc2c3cc1Cc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@@H+](C)CC3)[NH+](C)CC4 ZINC000085541000 565139194 /nfs/dbraw/zinc/13/91/94/565139194.db2.gz QRERZFJPBDZLNU-AJQTZOPKSA-N 2 0 606.763 6.658 1 0 biogenic,in-vitro KKAFRP CCc1cc(C[C@H]2CC[C@@]3(C2)Cc2cc(O)cc(OC)c2-c2ccc4c(c23)O[C@H](c2ccc(O)c(OCC[NH2+]C)c2)[C@H]4COC(C)=O)c[nH+]c1N ZINC000085568371 565143632 /nfs/dbraw/zinc/14/36/32/565143632.db2.gz SSOVGGWJUPOJRZ-WCMSDSPBSA-N 2 0 693.841 6.528 1 0 biogenic,in-vitro KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000085976996 565170981 /nfs/dbraw/zinc/17/09/81/565170981.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 2 0 652.788 7.171 1 0 biogenic,in-vitro KKAFRP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000095912410 565181577 /nfs/dbraw/zinc/18/15/77/565181577.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 2 0 622.762 7.162 1 0 biogenic,in-vitro KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947312 581091634 /nfs/dbraw/zinc/09/16/34/581091634.db2.gz XXFJVXFGCDTSND-RRPNLBNLSA-N 2 0 593.259 10.176 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1O[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000003832123 561683523 /nfs/dbraw/zinc/68/35/23/561683523.db2.gz YDAMLGKXYLLXKY-KKLWWLSJSA-N 2 0 626.863 8.134 1 0 KKAFRP CC[NH+](CC)CCNC(=O)c1ccc2nc(-c3ccc(C[NH+]4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000003925816 561686676 /nfs/dbraw/zinc/68/66/76/561686676.db2.gz PKOLTBBFTJODIG-UHFFFAOYSA-N 2 0 653.831 6.516 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1Oc1ccc(C[C@@H]2[NH2+]CCc3cc(OC)c(O)cc32)cc1 ZINC000005438297 561695937 /nfs/dbraw/zinc/69/59/37/561695937.db2.gz RNPHQDBXJJRLDE-CONSDPRKSA-N 2 0 610.751 6.420 1 0 KKAFRP C[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557232 561718878 /nfs/dbraw/zinc/71/88/78/561718878.db2.gz WLRLTOOAYKMFCQ-VXKWHMMOSA-N 2 0 516.686 5.304 1 0 KKAFRP C[NH+](C)CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013557715 561718909 /nfs/dbraw/zinc/71/89/09/561718909.db2.gz FXCWQUIDKGWILP-UHFFFAOYSA-N 2 0 500.708 6.574 1 0 KKAFRP CC1CC[NH+](CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[NH+]4CCC(C)CC4)ccc2-3)CC1 ZINC000013557233 561718913 /nfs/dbraw/zinc/71/89/13/561718913.db2.gz BNOAEPGSXRQEOI-UHFFFAOYSA-N 2 0 516.686 5.019 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780300 561729032 /nfs/dbraw/zinc/72/90/32/561729032.db2.gz SHFZELZOQAXTFF-DEOSSOPVSA-N 2 0 525.137 6.303 1 0 KKAFRP OC[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819418 561732431 /nfs/dbraw/zinc/73/24/31/561732431.db2.gz RNBWEUULKWTMAR-QAXCHELISA-N 2 0 504.759 5.493 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947255 561744576 /nfs/dbraw/zinc/74/45/76/561744576.db2.gz CRXRFHPFIFVXJP-UHFFFAOYSA-N 2 0 534.792 9.185 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1COc1cc(Nc2[nH]c3ccc(Oc4ccnc5ccccc54)cc3[nH+]2)ccc1C(F)(F)F ZINC000014965255 561749481 /nfs/dbraw/zinc/74/94/81/561749481.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 2 0 533.554 7.139 1 0 KKAFRP C[NH+]1C[C@H](c2ccccc2)C(O)([C@]2(c3ccccc3)C[N@H+](C)C[C@@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000017300894 561754587 /nfs/dbraw/zinc/75/45/87/561754587.db2.gz MYEJTRVASCARKF-ZCUZWMQKSA-N 2 0 530.712 5.467 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@]2(C)[NH2+]Cc3ccccc32)CC1 ZINC000023249197 561761449 /nfs/dbraw/zinc/76/14/49/561761449.db2.gz XEJWRNRUPWQYOB-RWTOGVPBSA-N 2 0 634.240 5.142 1 0 KKAFRP O=C(CN1CCC([NH+]2CCCCC2)CC1)c1c2ccccc2n(CCC[C@@H]2CCC[NH2+]C2)c1COc1ccc(Cl)cc1 ZINC000026649493 561808213 /nfs/dbraw/zinc/80/82/13/561808213.db2.gz XHHLNSWTGQCLAS-MHZLTWQESA-N 2 0 591.240 6.787 1 0 KKAFRP O[C@H](C[NH2+]CCCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2ccccc21 ZINC000027090119 561837103 /nfs/dbraw/zinc/83/71/03/561837103.db2.gz KBMBOHPENBGFSY-LIAFXSCVSA-N 2 0 628.785 6.782 1 0 KKAFRP C[N@H+](Cc1c(-c2ccc(NC(=O)CC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027110021 561841370 /nfs/dbraw/zinc/84/13/70/561841370.db2.gz VAXVMBRCBUMWFJ-UHFFFAOYSA-N 2 0 665.766 6.127 1 0 KKAFRP COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1-c1c(OC)cc(N[C@H](C)CCC[NH3+])c2ncccc21 ZINC000027181363 561841905 /nfs/dbraw/zinc/84/19/05/561841905.db2.gz POJZUHZPWDDYHK-WOJBJXKFSA-N 2 0 516.690 5.546 1 0 KKAFRP O=C(C[NH+]1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCCC[C@@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183544 561842133 /nfs/dbraw/zinc/84/21/33/561842133.db2.gz AKANNFYFILQRNV-VSGBNLITSA-N 2 0 664.986 8.433 1 0 KKAFRP C[N@H+](Cc1c(-c2ccc(NC(=O)C[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027184537 561842340 /nfs/dbraw/zinc/84/23/40/561842340.db2.gz IGCMTWXSJAWVSM-UHFFFAOYSA-N 2 0 651.739 5.737 1 0 KKAFRP C[C@H](COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCCC1 ZINC000027192209 561843741 /nfs/dbraw/zinc/84/37/41/561843741.db2.gz PWJHAOSBIAVUPS-AREMUKBSSA-N 2 0 540.773 7.497 1 0 KKAFRP CC(C)(COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCCC1 ZINC000027197953 561844674 /nfs/dbraw/zinc/84/46/74/561844674.db2.gz JTGQXAZNGQKPBI-UHFFFAOYSA-N 2 0 554.800 7.887 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(=[NH2+])NC(C)C)ccc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027300293 561849003 /nfs/dbraw/zinc/84/90/03/561849003.db2.gz JOMQWLDKDNLGEC-UHFFFAOYSA-N 2 0 620.761 8.347 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2)C1C(=O)OC ZINC000027215939 561848435 /nfs/dbraw/zinc/84/84/35/561848435.db2.gz VOLPZSTTWFCARR-RFRSNRLQSA-N 2 0 574.722 5.574 1 0 KKAFRP [NH2+]=C(NC1CCCC1)c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(=[NH2+])NC8CCCC8)ccc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027301408 561849157 /nfs/dbraw/zinc/84/91/57/561849157.db2.gz GXGKGYYPDUFTLY-UHFFFAOYSA-N 2 0 672.837 9.415 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420729 561857732 /nfs/dbraw/zinc/85/77/32/561857732.db2.gz XTJMLCAUNHFIRS-ZYWCCJJSSA-N 2 0 653.868 5.777 1 0 KKAFRP CN(CCCCCCCCN(C)C(=O)CCCCC[NH2+]CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCC[NH3+] ZINC000027422602 561857976 /nfs/dbraw/zinc/85/79/76/561857976.db2.gz CKHJLNLEHGUDID-UHFFFAOYSA-N 2 0 663.908 5.629 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526326 561866262 /nfs/dbraw/zinc/86/62/62/561866262.db2.gz UJELWGXJMXZTIC-LJAQVGFWSA-N 2 0 567.677 5.564 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547678 561867240 /nfs/dbraw/zinc/86/72/40/561867240.db2.gz WMJYLKOESTVKAR-PMERELPUSA-N 2 0 539.667 6.245 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549292 561867629 /nfs/dbraw/zinc/86/76/29/561867629.db2.gz JICRZQUVMVWMQI-BHVANESWSA-N 2 0 613.793 8.056 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](CCc2ccccc2)CCc2ccccc2)CC1 ZINC000027627890 561873358 /nfs/dbraw/zinc/87/33/58/561873358.db2.gz QBCMPIZPGANMQK-UHFFFAOYSA-N 2 0 570.225 6.485 1 0 KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2nc(N)sc2C1 ZINC000027640146 561875345 /nfs/dbraw/zinc/87/53/45/561875345.db2.gz XRTVFETTYPHBKG-XMMPIXPASA-N 2 0 534.836 5.213 1 0 KKAFRP CSc1ccc(C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000027648849 561876267 /nfs/dbraw/zinc/87/62/67/561876267.db2.gz KULCDRIDMTWPDN-UHFFFAOYSA-N 4 0 530.892 6.310 1 0 KKAFRP [NH3+]CCCC[NH+](Cc1ccc(OCCc2ccccc2)cc1)Cc1ccc(OCCc2ccccc2)cc1 ZINC000027707956 561879133 /nfs/dbraw/zinc/87/91/33/561879133.db2.gz KUCQQDKNKZZBDI-UHFFFAOYSA-N 2 0 508.706 6.671 1 0 KKAFRP Oc1ccc(CC[NH+]2CCC(CCCn3c4cccc(OCCC[NH+]5CCCCC5)c4nc3COc3ccccc3)CC2)cc1 ZINC000027710836 561879661 /nfs/dbraw/zinc/87/96/61/561879661.db2.gz UUXHLEFTSLQVCX-UHFFFAOYSA-N 2 0 610.843 7.311 1 0 KKAFRP CC(C)(C)c1ccc(COc2ccc(C[NH+](CCCC[NH3+])Cc3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 ZINC000027711083 561879665 /nfs/dbraw/zinc/87/96/65/561879665.db2.gz XSZUWVVQAYTYNG-UHFFFAOYSA-N 2 0 592.868 9.181 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711302 561879784 /nfs/dbraw/zinc/87/97/84/561879784.db2.gz KDJCGYBGRLMNCE-FHQDDHKZSA-N 2 0 670.891 6.449 1 0 in-vivo KKAFRP CC(C)[NH+]1CCC(CCCn2c3cccc(OCCC[NH+]4CCCCC4)c3nc2COc2ccccc2)CC1 ZINC000027724571 561880824 /nfs/dbraw/zinc/88/08/24/561880824.db2.gz VVXBOBKGMAPTTF-UHFFFAOYSA-N 2 0 532.773 6.771 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000027858070 561886704 /nfs/dbraw/zinc/88/67/04/561886704.db2.gz BRUSRDJPPQOULS-LQFQNGICSA-N 2 0 610.864 8.515 1 0 KKAFRP COc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000027864160 561887439 /nfs/dbraw/zinc/88/74/39/561887439.db2.gz SFJPKAURBHPQNZ-FZNHDDJXSA-N 2 0 624.891 8.818 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027869322 561888073 /nfs/dbraw/zinc/88/80/73/561888073.db2.gz ZNHUBSFZPDKCJT-MUUNZHRXSA-N 2 0 540.773 7.497 1 0 KKAFRP c1ccc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2ccccn2)nc1 ZINC000027982553 561891812 /nfs/dbraw/zinc/89/18/12/561891812.db2.gz CTRJFYWVXCUZNY-UHFFFAOYSA-N 4 0 524.842 5.997 1 0 KKAFRP COC(=O)CCCN(c1ccc2nc(C)n(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028086728 561899214 /nfs/dbraw/zinc/89/92/14/561899214.db2.gz DCMAFNXBSDZERX-UHFFFAOYSA-N 2 0 553.711 5.051 1 0 KKAFRP CC[NH+](CC)CCCCC[NH2+]CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028096938 561900880 /nfs/dbraw/zinc/90/08/80/561900880.db2.gz ZJZFAXJIVHDDBG-UHFFFAOYSA-N 2 0 675.529 5.330 1 0 KKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCCn3c4cc(Cl)c(Cl)cc4nc3C3CC[NH2+]CC3)c2cc1Cl ZINC000028229775 561908873 /nfs/dbraw/zinc/90/88/73/561908873.db2.gz AMEQDTJQICBFAA-UHFFFAOYSA-N 2 0 608.445 7.804 1 0 KKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(Cn4c5cc(Cl)c(Cl)cc5nc4C4CC[NH2+]CC4)cc3)c2cc1Cl ZINC000028230039 561908926 /nfs/dbraw/zinc/90/89/26/561908926.db2.gz AHDOYIZMWZKDSJ-UHFFFAOYSA-N 2 0 642.462 8.030 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249830 561910849 /nfs/dbraw/zinc/91/08/49/561910849.db2.gz VSRNINGYFSXXGJ-NSOVKSMOSA-N 2 0 592.788 6.159 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)Nc1ccccc1 ZINC000028395772 561923001 /nfs/dbraw/zinc/92/30/01/561923001.db2.gz DPCQWLSDEPEWLV-UHFFFAOYSA-N 2 0 506.694 6.282 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000028396749 561923153 /nfs/dbraw/zinc/92/31/53/561923153.db2.gz IIQVVJROFUIBKP-DHUJRADRSA-N 2 0 537.792 7.127 1 0 KKAFRP c1ccc2c(c1)c(N1CCCCCC1)cc[n+]2Cc1cccc(-c2cccc(C[n+]3ccc(N4CCCCCC4)c4ccccc43)c2)c1 ZINC000028477773 561928650 /nfs/dbraw/zinc/92/86/50/561928650.db2.gz XNWPYRWKWSSSNV-UHFFFAOYSA-N 2 0 632.896 9.092 1 0 in-vivo KKAFRP CC(C)(C)c1ccc([C@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523340 561930007 /nfs/dbraw/zinc/93/00/07/561930007.db2.gz LNFQHRMWUHDOMK-LJAQVGFWSA-N 2 0 515.708 6.827 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646312 561945171 /nfs/dbraw/zinc/94/51/71/561945171.db2.gz MBWDVGJDHXOXCK-PGUFJCEWSA-N 2 0 542.787 6.200 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646389 561945292 /nfs/dbraw/zinc/94/52/92/561945292.db2.gz FBBUWUQOOSRYPX-UUWRZZSWSA-N 2 0 563.205 6.464 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645923 561944656 /nfs/dbraw/zinc/94/46/56/561944656.db2.gz QZSJYHCBUZIVJV-MGBGTMOVSA-N 2 0 545.762 7.086 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645986 561944689 /nfs/dbraw/zinc/94/46/89/561944689.db2.gz MRONRUQTGKMEGH-DHUJRADRSA-N 2 0 545.762 7.086 1 0 KKAFRP CC[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646147 561944804 /nfs/dbraw/zinc/94/48/04/561944804.db2.gz ZVQKMPSKLZYTED-YTTGMZPUSA-N 2 0 502.722 5.298 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645990 561944820 /nfs/dbraw/zinc/94/48/20/561944820.db2.gz MRONRUQTGKMEGH-PGUFJCEWSA-N 2 0 545.762 7.086 1 0 KKAFRP CC(C)Oc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646274 561944905 /nfs/dbraw/zinc/94/49/05/561944905.db2.gz LXYNSRGSZRHNAF-PGUFJCEWSA-N 2 0 574.829 6.474 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCCNc1ccc(CCc2ccc(NCCCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713733 561954264 /nfs/dbraw/zinc/95/42/64/561954264.db2.gz WKJUHUPGKWKTSZ-UHFFFAOYSA-N 2 0 650.952 9.013 1 0 KKAFRP COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818159 561965251 /nfs/dbraw/zinc/96/52/51/561965251.db2.gz WLVVWVWAWIFTAL-SSEXGKCCSA-N 2 0 539.642 5.882 1 0 KKAFRP O=C(c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1 ZINC000028822335 561966840 /nfs/dbraw/zinc/96/68/40/561966840.db2.gz CJDLMAPJDWWGFV-UHFFFAOYSA-N 2 0 590.599 6.372 1 0 KKAFRP O[C@@H](c1ccc(C[NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1)c1cccc(Cl)c1 ZINC000028822337 561966871 /nfs/dbraw/zinc/96/68/71/561966871.db2.gz WVCOKTAARUVNSE-XIFFEERXSA-N 2 0 592.615 6.223 1 0 KKAFRP CN(CCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028824858 561970265 /nfs/dbraw/zinc/97/02/65/561970265.db2.gz QVXCZTNUVKNCGU-DHUJRADRSA-N 2 0 573.785 7.273 1 0 in-vivo KKAFRP Cc1cc[n+](CCCCCc2cc(CCCCC[n+]3ccc(C)c(C)c3)cc(CCCCC[n+]3ccc(C)c(C)c3)c2)cc1C ZINC000028861871 561971815 /nfs/dbraw/zinc/97/18/15/561971815.db2.gz SURMFQDIAXTALJ-UHFFFAOYSA-N 3 0 606.963 8.639 1 0 KKAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@@H]4CCCC[N@H+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864186 561972810 /nfs/dbraw/zinc/97/28/10/561972810.db2.gz NJYDXWWAPTWRLL-SANMLTNESA-N 2 0 564.721 5.022 1 0 KKAFRP COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4nc(C(=O)NCCC[NH+](C)C)c(CCC(C)C)s4)n(C)c3)n(C)c2)c1 ZINC000028864250 561973098 /nfs/dbraw/zinc/97/30/98/561973098.db2.gz XZRCLPUHBOQVPS-UHFFFAOYSA-N 2 0 675.860 5.041 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873119 561974788 /nfs/dbraw/zinc/97/47/88/561974788.db2.gz RNKNHGHLOCVTGY-UHFFFAOYSA-N 2 0 678.918 6.671 1 0 KKAFRP CN(CCCCC[NH+]1CCCC1)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000028885501 561977607 /nfs/dbraw/zinc/97/76/07/561977607.db2.gz DKHAGFIMNLTLHC-WJOKGBTCSA-N 2 0 523.725 6.140 1 0 in-vivo KKAFRP CC(C)C[N@H+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954032 561982972 /nfs/dbraw/zinc/98/29/72/561982972.db2.gz MCKRYLUGFRPZHH-SAIUNTKASA-N 2 0 594.288 6.164 1 0 KKAFRP CC(C)C[C@H](NC(=O)C1C[NH2+]C1)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960167 561983907 /nfs/dbraw/zinc/98/39/07/561983907.db2.gz JBMFMWRIVIDCKM-JBOQNHBVSA-N 2 0 648.214 5.554 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000029130273 562002374 /nfs/dbraw/zinc/00/23/74/562002374.db2.gz WVBCGMUEKUKCNZ-HEHLMWRFSA-N 2 0 651.765 5.521 1 0 KKAFRP O=C1c2cccc3c4ccsc4cc(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029203203 562004812 /nfs/dbraw/zinc/00/48/12/562004812.db2.gz INZYMXFNWSPANN-UHFFFAOYSA-N 2 0 632.767 5.884 1 0 KKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029233136 562009395 /nfs/dbraw/zinc/00/93/95/562009395.db2.gz OIOQEZPSDPZXGZ-MEKGRNQZSA-N 2 0 522.866 8.565 1 0 KKAFRP Clc1ccc([NH+]=c2ccn(CCCCCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029233331 562009494 /nfs/dbraw/zinc/00/94/94/562009494.db2.gz PZJGPIRCSJXFLC-UHFFFAOYSA-N 2 0 519.520 8.102 1 0 KKAFRP CN(C(=O)/C=C/CC(C)(C)[NH3+])[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCCCCC[NH3+] ZINC000029552293 562031388 /nfs/dbraw/zinc/03/13/88/562031388.db2.gz DMVUUOIIORUPFV-GRQRFIANSA-N 2 0 639.885 5.112 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2ccc(COc3ccc(C(=[NH2+])NC(C)C)cc3)c3ccccc23)cc1 ZINC000034417764 562038966 /nfs/dbraw/zinc/03/89/66/562038966.db2.gz BUTAUSRBKIRYPB-UHFFFAOYSA-N 2 0 508.666 6.645 1 0 KKAFRP c1ccc(-c2ccccc2C[NH2+]CCCNCCC[NH2+]CCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000034893355 562044006 /nfs/dbraw/zinc/04/40/06/562044006.db2.gz VMSXOJFAOPXPFB-UHFFFAOYSA-N 3 0 520.765 6.250 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCC[NH2+]CCCNC(=[NH2+])NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000036113905 562047529 /nfs/dbraw/zinc/04/75/29/562047529.db2.gz JSRPCLKCSSYCHO-UHFFFAOYSA-N 4 0 632.901 5.228 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000036284693 562053293 /nfs/dbraw/zinc/05/32/93/562053293.db2.gz CXNCKVKDTNIURI-WKNISULPSA-N 2 0 634.240 5.311 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000036284713 562053387 /nfs/dbraw/zinc/05/33/87/562053387.db2.gz NSFFFSYEDFVOOT-SXLOSVNLSA-N 2 0 634.240 5.011 1 0 KKAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCSCC1 ZINC000036285156 562053859 /nfs/dbraw/zinc/05/38/59/562053859.db2.gz LTWPQLXVDNUDBU-URLMMPGGSA-N 2 0 583.242 5.058 1 0 KKAFRP C(=C/c1ccnc2ccccc12)\c1ccc(-[n+]2cc[n+](-c3ccc(/C=C/c4ccnc5ccccc45)cc3)cc2)cc1 ZINC000038142947 562063573 /nfs/dbraw/zinc/06/35/73/562063573.db2.gz ASOZGIYXBPHTID-KAVGSWPWSA-N 2 0 540.670 7.677 1 0 KKAFRP CC(C)N(C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000038806551 562072408 /nfs/dbraw/zinc/07/24/08/562072408.db2.gz ALUBWPKFZRKPBI-KYJUHHDHSA-N 2 0 526.810 5.401 1 0 KKAFRP c1cc[n+](CCCC2=CNc3ccccc3NC=C(CCC[n+]3ccccc3)C=Nc3ccccc3N=C2)cc1 ZINC000040619725 562078562 /nfs/dbraw/zinc/07/85/62/562078562.db2.gz CVWJFRVBPNSGDW-UHFFFAOYSA-N 2 0 528.704 6.932 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](CCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000040951397 562086004 /nfs/dbraw/zinc/08/60/04/562086004.db2.gz RPCUFCHJHLNWDI-HSZRJFAPSA-N 2 0 513.682 5.700 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000040979420 562087344 /nfs/dbraw/zinc/08/73/44/562087344.db2.gz IWFRXMAENNIBJM-DEOSSOPVSA-N 2 0 527.709 6.090 1 0 KKAFRP CC[C@@H](C)NC(=[NH2+])c1cccc(OCc2ccc3cc(COc4cccc(C(=[NH2+])N[C@@H](C)CC)c4)ccc3c2)c1 ZINC000043060985 562645226 /nfs/dbraw/zinc/64/52/26/562645226.db2.gz AEBQKSLOMPAZPW-PSWAGMNNSA-N 2 0 536.720 7.425 1 0 KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652375 /nfs/dbraw/zinc/65/23/75/562652375.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 2 0 580.773 5.964 1 0 KKAFRP C[NH+]1CCN(c2nccc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc32)CC1 ZINC000044280380 562652836 /nfs/dbraw/zinc/65/28/36/562652836.db2.gz PZFNMEWHFCZOJU-UHFFFAOYSA-N 2 0 621.793 6.275 1 0 KKAFRP C[NH+]1CCN(c2cc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3cn2)CC1 ZINC000044307022 562653906 /nfs/dbraw/zinc/65/39/06/562653906.db2.gz HGJRXEBEESPYHD-UHFFFAOYSA-N 2 0 621.793 6.275 1 0 KKAFRP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044307156 562653945 /nfs/dbraw/zinc/65/39/45/562653945.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 2 0 640.777 6.468 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044350680 562654295 /nfs/dbraw/zinc/65/42/95/562654295.db2.gz VEXKGRHPHLYFKT-XKYKLPQVSA-N 2 0 630.914 8.186 1 0 KKAFRP CC[NH+](CCCCCCN1CCN(CCCCCC[N@@H+](CC)Cc2ccccc2OC)C(=O)C1=O)Cc1ccccc1OC ZINC000044351175 562654532 /nfs/dbraw/zinc/65/45/32/562654532.db2.gz UVLGFHNNOKFLBK-UHFFFAOYSA-N 2 0 608.868 5.839 1 0 KKAFRP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCC(=O)Oc2ccc4c(c2)-c2cccc5c2[C@@H](C4)[N@H+](CCC)CC5)c1-3 ZINC000044352515 562655189 /nfs/dbraw/zinc/65/51/89/562655189.db2.gz BCYVFMPPKQJVKU-LQFQNGICSA-N 2 0 640.824 8.042 1 0 KKAFRP CCCC[NH+](CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000044358473 562655294 /nfs/dbraw/zinc/65/52/94/562655294.db2.gz OPHQDUAJESQKGI-IGYGKHONSA-N 2 0 575.669 7.201 1 0 KKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O ZINC000044417313 562657084 /nfs/dbraw/zinc/65/70/84/562657084.db2.gz MEFGLNPAZYTMOF-MUUNZHRXSA-N 2 0 557.610 6.637 1 0 KKAFRP C[NH+]1CCN(CCC[NH2+]Cc2cccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)c2)CC1 ZINC000045186751 562658185 /nfs/dbraw/zinc/65/81/85/562658185.db2.gz MVXFDLSQEPNUTP-UHFFFAOYSA-N 2 0 523.685 5.483 1 0 KKAFRP CCc1c(CC[NH2+]CCCCCC[NH2+]CCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000045189780 562658427 /nfs/dbraw/zinc/65/84/27/562658427.db2.gz BZTUNJKZBWVGJA-UHFFFAOYSA-N 2 0 500.724 5.371 1 0 KKAFRP CC(=O)N(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000045189710 562658442 /nfs/dbraw/zinc/65/84/42/562658442.db2.gz ASOGTYTWSQWZAS-UHFFFAOYSA-N 2 0 531.744 6.699 1 0 KKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193374 562658720 /nfs/dbraw/zinc/65/87/20/562658720.db2.gz RCOGEQWOFOMWGG-PMERELPUSA-N 2 0 517.739 6.037 1 0 KKAFRP C[C@@H](Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201728 562659131 /nfs/dbraw/zinc/65/91/31/562659131.db2.gz UPJUYKHBVUUAHI-MUAVYFROSA-N 2 0 511.632 5.277 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3ccc(C[NH2+]C4CCCC4)cc3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000045202247 562659172 /nfs/dbraw/zinc/65/91/72/562659172.db2.gz NAGUVQXVZUJADP-UHFFFAOYSA-N 2 0 544.828 6.322 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045209761 562659218 /nfs/dbraw/zinc/65/92/18/562659218.db2.gz KVVPFQGDXRKBEP-PZGXJGMVSA-N 2 0 528.524 5.449 1 0 KKAFRP O=S(=O)(Nc1ccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228385 562659539 /nfs/dbraw/zinc/65/95/39/562659539.db2.gz WSTUJTFZZOMUPK-SSEXGKCCSA-N 2 0 517.739 6.037 1 0 KKAFRP c1ccc(CN2CCC([NH2+]Cc3ccccc3-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)CC2)cc1 ZINC000045229148 562659550 /nfs/dbraw/zinc/65/95/50/562659550.db2.gz OTTSCCZHZFKVQS-UHFFFAOYSA-N 2 0 519.689 6.126 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318791 562660914 /nfs/dbraw/zinc/66/09/14/562660914.db2.gz FLEFAPOLARGJQP-UMSFTDKQSA-N 2 0 544.759 5.647 1 0 KKAFRP COc1cc2nc(N3CCC(CCCC4CC[NH2+]CC4)CC3)nc(NCc3ccccn3)c2cc1OC ZINC000045364283 562661991 /nfs/dbraw/zinc/66/19/91/562661991.db2.gz CGDHADOUOQSJMT-UHFFFAOYSA-N 2 0 504.679 5.040 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]C4CCCC4)cc3)c2)C(=O)/C=C/c2ccccc2)CC1 ZINC000048307324 562662949 /nfs/dbraw/zinc/66/29/49/562662949.db2.gz SUAZEHVSWDRAJQ-LVZFUZTISA-N 2 0 550.791 6.065 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000048307383 562663064 /nfs/dbraw/zinc/66/30/64/562663064.db2.gz HTLJNPIRICXNSY-SOLYNIJKSA-N 2 0 537.915 5.603 1 0 KKAFRP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000049590026 562664840 /nfs/dbraw/zinc/66/48/40/562664840.db2.gz LHMXAZXVFTUCSN-COCZKOEFSA-N 2 0 674.974 7.073 1 0 KKAFRP c1ccc(-c2ccc[n+](CCCCCc3cc(CCCCC[n+]4cccc(-c5ccccc5)c4)cc(CCCCC[n+]4cccc(-c5ccccc5)c4)c3)c2)cc1 ZINC000049592897 562664945 /nfs/dbraw/zinc/66/49/45/562664945.db2.gz CDNFAKVJGFHDDB-UHFFFAOYSA-N 3 0 751.095 11.789 1 0 KKAFRP C[C@@H](Cc1ccc(OCC(=O)NCC2CC[NH+](CCc3cccc(Cl)c3)CC2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049604981 562665170 /nfs/dbraw/zinc/66/51/70/562665170.db2.gz HXJROVWRODAPFY-VWLOTQADSA-N 2 0 582.616 6.206 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(C(=O)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000049605029 562665227 /nfs/dbraw/zinc/66/52/27/562665227.db2.gz JVRJSWVWXBNNNR-UHFFFAOYSA-N 2 0 551.800 7.468 1 0 KKAFRP CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(I)c(O)c(OC)cc21 ZINC000049605435 562665864 /nfs/dbraw/zinc/66/58/64/562665864.db2.gz HDMPSEDAIUYLPS-ATTMEURXSA-N 2 0 592.518 5.245 1 0 KKAFRP CC[C@H](C)C[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]C[C@@H](C)CC)cc3I)c2)c(I)c1 ZINC000049605503 562665958 /nfs/dbraw/zinc/66/59/58/562665958.db2.gz HHGYAKLAVCTKFT-ZEQRLZLVSA-N 2 0 740.508 8.325 1 0 KKAFRP Cc1cc(C2CC[NH+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)c(C)cc1OCC[NH+](C)C ZINC000049626402 562667186 /nfs/dbraw/zinc/66/71/86/562667186.db2.gz ZBXXVLSXOFZTEW-UHFFFAOYSA-N 2 0 605.223 6.539 1 0 KKAFRP C[C@H](Cc1ccc(OCCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049626589 562667276 /nfs/dbraw/zinc/66/72/76/562667276.db2.gz TVVWCIYCXPOUIJ-VVPILZOQSA-N 2 0 665.702 7.740 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]C2CCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626879 562667362 /nfs/dbraw/zinc/66/73/62/562667362.db2.gz OJUKPRAFLGMTCF-UHFFFAOYSA-N 2 0 572.797 8.085 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]CCc2ccccc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049711190 562671974 /nfs/dbraw/zinc/67/19/74/562671974.db2.gz WBEGRNTYKFGMIG-UHFFFAOYSA-N 2 0 608.830 8.385 1 0 KKAFRP O=C(NCCCC[NH+]1CCC(c2ccc3c(c2OCC[NH+]2CCCC2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722603 562672273 /nfs/dbraw/zinc/67/22/73/562672273.db2.gz KFEVXAXURWNMMS-UHFFFAOYSA-N 2 0 647.826 8.115 1 0 KKAFRP O=C(C[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000049745935 562674175 /nfs/dbraw/zinc/67/41/75/562674175.db2.gz QCQRCIZXYXWVOZ-TYHGNQNSSA-N 2 0 715.722 8.374 1 0 KKAFRP Cc1ccc(C)c(C(=O)C[C@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2cc(C)ccc2C)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000049746150 562674297 /nfs/dbraw/zinc/67/42/97/562674297.db2.gz UTCQLOUOUVXDCL-ZAQUEYBZSA-N 2 0 702.940 8.300 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049746613 562674498 /nfs/dbraw/zinc/67/44/98/562674498.db2.gz HSKHPKMNCDCUNM-UHFFFAOYSA-N 2 0 638.812 8.071 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000049756224 562674903 /nfs/dbraw/zinc/67/49/03/562674903.db2.gz QHUWGZJPOSFFGQ-UHFFFAOYSA-N 2 0 579.716 6.982 1 0 KKAFRP CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762263 562676475 /nfs/dbraw/zinc/67/64/75/562676475.db2.gz ZLMAROVMABRAOI-JUIGDETFSA-N 2 0 661.935 8.231 1 0 KKAFRP O=C(Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1)C1CCCCC1 ZINC000049762275 562676484 /nfs/dbraw/zinc/67/64/84/562676484.db2.gz AUJPLXQLOKOQMW-BWCWJJKGSA-N 2 0 673.946 8.375 1 0 KKAFRP Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@H]([NH3+])Cc4ccc5ccccc5c4)c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049778159 562681002 /nfs/dbraw/zinc/68/10/02/562681002.db2.gz DLHHWZIWAALWRH-GDLZYMKVSA-N 3 0 693.899 5.537 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780762 562682155 /nfs/dbraw/zinc/68/21/55/562682155.db2.gz POQQQMBUIRUZSH-PSXMRANNSA-N 2 0 609.852 5.773 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H](C[C@@H]2CCC[C@H]([NH2+]CCCN3C(=O)c4cccc5cccc(c54)C3=O)C2)C1 ZINC000049785815 562684178 /nfs/dbraw/zinc/68/41/78/562684178.db2.gz ABDBOYUSZZEWFY-RTXRFFIISA-N 2 0 684.881 7.352 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+] ZINC000049793456 562684855 /nfs/dbraw/zinc/68/48/55/562684855.db2.gz XSVALKFJZFDBQU-YKKXUYLKSA-N 3 0 659.967 6.647 1 0 KKAFRP CCCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793606 562685040 /nfs/dbraw/zinc/68/50/40/562685040.db2.gz RUNKEFZAQBPDEL-VWLOTQADSA-N 2 0 675.859 5.040 1 0 KKAFRP COc1ccc2cc3[n+](cc2c1OCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000049803945 562686262 /nfs/dbraw/zinc/68/62/62/562686262.db2.gz KHTZNQPZFCEMGU-UHFFFAOYSA-N 2 0 670.718 5.947 1 0 in-vivo KKAFRP CC[NH+](CCCCCCn1c2ccccc2n(CCCCCC[N@@H+](CC)Cc2ccccc2OC)c(=O)c1=O)Cc1ccccc1OC ZINC000049841215 562688104 /nfs/dbraw/zinc/68/81/04/562688104.db2.gz DKVWATCLAJZDGY-UHFFFAOYSA-N 2 0 656.912 7.345 1 0 KKAFRP CC[NH+](CCCCCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCCCCC[N@@H+](CC)Cc1ccccc1OC)c3=O)Cc1ccccc1OC ZINC000049898735 562692786 /nfs/dbraw/zinc/69/27/86/562692786.db2.gz ZVPMATGRPXLGBJ-UHFFFAOYSA-N 2 0 710.916 6.095 1 0 KKAFRP [NH3+]CCc1c2c(ccc(O)c2[C@@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899644 562693328 /nfs/dbraw/zinc/69/33/28/562693328.db2.gz KJQYELPBSPDCOH-LEWJYISDSA-N 3 0 650.419 6.044 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)c2cc(F)cc(F)c2)CC1 ZINC000049917518 562693501 /nfs/dbraw/zinc/69/35/01/562693501.db2.gz GGPVPOJNVVFVIE-UHFFFAOYSA-N 2 0 589.756 5.658 1 0 KKAFRP COc1c2ccccc2c(OC)c(OC)c1C[NH2+]CCCCCC[NH2+]Cc1c(OC)c2ccccc2c(OC)c1OC ZINC000049917580 562693665 /nfs/dbraw/zinc/69/36/65/562693665.db2.gz JDBTULQQBFOXOS-UHFFFAOYSA-N 2 0 576.734 6.484 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917761 562693844 /nfs/dbraw/zinc/69/38/44/562693844.db2.gz ZHDSIQJTAMFWOD-VQJSHJPSSA-N 2 0 726.943 6.848 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]C3CCCC3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917791 562693870 /nfs/dbraw/zinc/69/38/70/562693870.db2.gz PICRGHVFIZNKRJ-UHFFFAOYSA-N 2 0 600.851 7.805 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917770 562693911 /nfs/dbraw/zinc/69/39/11/562693911.db2.gz OMUHZIONTWVASY-UHFFFAOYSA-N 2 0 610.843 6.309 1 0 KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698184 /nfs/dbraw/zinc/69/81/84/562698184.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 2 0 564.774 6.259 1 0 in-vivo KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCc2ncccc2C1 ZINC000058519652 562698468 /nfs/dbraw/zinc/69/84/68/562698468.db2.gz ICSKSUDWIFZFHG-NDEPHWFRSA-N 2 0 513.792 5.570 1 0 KKAFRP C[C@H](Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c(N)c(Cl)c2)cc1)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000059671592 562702120 /nfs/dbraw/zinc/70/21/20/562702120.db2.gz HRCNKNJVGSSUQT-VGBRCYPISA-N 2 0 600.418 5.973 1 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000064586116 562708785 /nfs/dbraw/zinc/70/87/85/562708785.db2.gz IVHAEOHIIYNCPQ-SYQUUIDJSA-N 3 0 640.748 6.378 3 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148484 562713611 /nfs/dbraw/zinc/71/36/11/562713611.db2.gz HLJVKFVYBQDSAX-ISVKHVEWSA-N 3 0 592.704 5.647 3 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+]CCNCC[NH2+]CCC[C@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157318 562713924 /nfs/dbraw/zinc/71/39/24/562713924.db2.gz JJFDWZFWKICBDZ-WMPKNSHKSA-N 2 0 587.813 5.430 1 0 KKAFRP Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]CCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000068077998 562715733 /nfs/dbraw/zinc/71/57/33/562715733.db2.gz LDHQAYBINPIZLI-WDYNHAJCSA-N 2 0 663.061 7.356 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000068106049 562715773 /nfs/dbraw/zinc/71/57/73/562715773.db2.gz ICCARDNTCOUOPW-DHUJRADRSA-N 2 0 735.319 6.996 1 0 KKAFRP [NH3+]CCC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)CC[NH3+])cc1 ZINC000071294227 562716799 /nfs/dbraw/zinc/71/67/99/562716799.db2.gz VVYHNKOGAATVFV-UHFFFAOYSA-N 2 0 538.492 5.633 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCCC3)cc2)ccc1CCCc1ccc(C[n+]2ccc(N3CCCCCC3)cc2)cc1 ZINC000071333006 562719429 /nfs/dbraw/zinc/71/94/29/562719429.db2.gz HMYSWZOKDIWHSV-UHFFFAOYSA-N 2 0 574.857 7.294 1 0 KKAFRP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH+](C)CCC[N@@H+](C)C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333992 562719516 /nfs/dbraw/zinc/71/95/16/562719516.db2.gz DUVCBEMHQGRCPF-TUXGATLDSA-N 2 0 578.835 5.167 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3c([nH+]c4ccccc42)-c2ccccc2C3)CCCC1 ZINC000072113149 562722281 /nfs/dbraw/zinc/72/22/81/562722281.db2.gz ASEDWXNMPGNYLM-UHFFFAOYSA-N 2 0 561.173 9.361 1 0 KKAFRP OC(Cn1c[n+](Cc2ccc(Cl)cc2Cl)cn1)(Cn1c[n+](Cc2ccc(Cl)cc2Cl)cn1)c1ccc(F)cc1F ZINC000072113805 562722502 /nfs/dbraw/zinc/72/25/02/562722502.db2.gz XYDJAYXOEVXZMB-UHFFFAOYSA-N 2 0 626.322 5.231 1 0 KKAFRP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000072129328 562726447 /nfs/dbraw/zinc/72/64/47/562726447.db2.gz HLKCUDXXFULFRD-MVIDNBQJSA-N 2 0 654.891 6.200 1 0 KKAFRP COc1cc2c(cc1OC)CN(c1cc[n+](Cc3cccc(-c4cccc(C[n+]5ccc(N6CCc7cc(OC)c(OC)cc7C6)cc5)c4)c3)cc1)CC2 ZINC000072134093 562727196 /nfs/dbraw/zinc/72/71/96/562727196.db2.gz RSZDPTWGXVOTHL-UHFFFAOYSA-N 2 0 720.914 7.185 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072180595 562732517 /nfs/dbraw/zinc/73/25/17/562732517.db2.gz JAMBENNFUBTKNG-AATRIKPKSA-N 2 0 740.898 6.936 1 0 KKAFRP COc1cc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4cc(OC)c(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CC[NH+](C)CC1 ZINC000072180704 562732573 /nfs/dbraw/zinc/73/25/73/562732573.db2.gz UYZOQRYBMNNSOM-BQYQJAHWSA-N 2 0 744.842 5.393 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072180827 562732623 /nfs/dbraw/zinc/73/26/23/562732623.db2.gz OCXIJFDBIACUFL-AATRIKPKSA-N 2 0 712.844 6.156 1 0 KKAFRP c1ccc(COc2ccc(C[NH2+]CCCCCC[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000073197581 562735399 /nfs/dbraw/zinc/73/53/99/562735399.db2.gz NKRDXBVOMMHKJQ-UHFFFAOYSA-N 2 0 508.706 7.284 1 0 KKAFRP C[N@@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)[nH+]c(NCCc2ccc(Cl)cc2)n1 ZINC000073198355 562735665 /nfs/dbraw/zinc/73/56/65/562735665.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 2 0 514.505 5.384 1 0 KKAFRP C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)[nH+]1 ZINC000073200518 562736161 /nfs/dbraw/zinc/73/61/61/562736161.db2.gz SRSGYLCJGXDIJZ-UHFFFAOYSA-N 2 0 529.303 6.073 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000073369117 562738346 /nfs/dbraw/zinc/73/83/46/562738346.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 2 0 606.719 6.874 1 0 KKAFRP Cc1cc(C)c(S(=O)(=O)N(CCCCCC[NH3+])OCCCON(CCCCCC[NH3+])S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000082170486 562741461 /nfs/dbraw/zinc/74/14/61/562741461.db2.gz OMVITGFLZRZEMU-UHFFFAOYSA-N 2 0 668.967 5.510 1 0 KKAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000082181764 562742001 /nfs/dbraw/zinc/74/20/01/562742001.db2.gz MUTHYBUYHXYYND-MCWJOJKXSA-N 2 0 677.812 5.343 1 0 KKAFRP c1ccc(C(N[C@@H]2CCCC[C@@H]2[NH2+]CCN[C@@H]2CCCC[C@@H]2[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186085 562742415 /nfs/dbraw/zinc/74/24/15/562742415.db2.gz INMAEUFTSXWEFD-MRYQMSSLSA-N 2 0 739.064 9.951 1 0 KKAFRP COC(=O)[C@H](CCCC[NH3+])N(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000084402610 562742951 /nfs/dbraw/zinc/74/29/51/562742951.db2.gz OMNYLWJEBSUDFO-UMSFTDKQSA-N 2 0 552.715 6.517 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2cccnc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653368 562746816 /nfs/dbraw/zinc/74/68/16/562746816.db2.gz UTUGYXULTQVXHB-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084670674 562748359 /nfs/dbraw/zinc/74/83/59/562748359.db2.gz ZCPUOMYHGVBIQD-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP c1nc(-c2ccc(OCCC[NH+]3CCCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(OCCC[NH+]4CCCC4)cc3)o2)c1 ZINC000084672488 562748784 /nfs/dbraw/zinc/74/87/84/562748784.db2.gz HNLMFVAIPGXKMI-UHFFFAOYSA-N 2 0 618.778 8.060 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCNc4ccnc5cc(Cl)ccc54)cc3)s2)cc1 ZINC000084710369 562750491 /nfs/dbraw/zinc/75/04/91/562750491.db2.gz PNSWLESSSAWXHT-UHFFFAOYSA-N 2 0 731.797 10.669 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2ccncc2)cc1)c1cccc2ccccc21 ZINC000084722519 562750998 /nfs/dbraw/zinc/75/09/98/562750998.db2.gz SCMATUJWEBPXBQ-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)CCc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084758232 562752566 /nfs/dbraw/zinc/75/25/66/562752566.db2.gz YGROTYBAAMMXHU-HTOJEEBVSA-N 2 0 687.864 5.900 1 0 KKAFRP CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758699 562752705 /nfs/dbraw/zinc/75/27/05/562752705.db2.gz WKRONHOUGWHKTJ-MUUNZHRXSA-N 2 0 574.844 9.364 1 0 KKAFRP CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758698 562752728 /nfs/dbraw/zinc/75/27/28/562752728.db2.gz WKRONHOUGWHKTJ-NDEPHWFRSA-N 2 0 574.844 9.364 1 0 KKAFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000095535669 562753765 /nfs/dbraw/zinc/75/37/65/562753765.db2.gz OTTBBRFLXGZXST-KPXRDTHESA-N 2 0 757.973 5.306 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095535868 562753886 /nfs/dbraw/zinc/75/38/86/562753886.db2.gz KEDDGIDZMJSBEW-PXLJZGITSA-N 2 0 791.731 6.148 1 0 investigational KKAFRP O=C(NCc1ccccc1)c1ncn(CCC[NH+]2CCC([NH+]3CCCC3)CC2)c1-c1ccc(Cl)c(Cl)c1 ZINC000095544081 562757602 /nfs/dbraw/zinc/75/76/02/562757602.db2.gz WZCHWRANTIUHSK-UHFFFAOYSA-N 2 0 540.539 5.737 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(c5ccccc5)CC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000095548962 562759618 /nfs/dbraw/zinc/75/96/18/562759618.db2.gz CSJMKFCEBMWQIS-UHFFFAOYSA-N 2 0 773.004 6.335 1 0 KKAFRP O=C(N[C@@H]1CCCC[C@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550056 562759902 /nfs/dbraw/zinc/75/99/02/562759902.db2.gz RFKDBORJIKLFCM-KDQUBTEHSA-N 2 0 767.030 9.005 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095575633 562770360 /nfs/dbraw/zinc/77/03/60/562770360.db2.gz BQDAZAMCOASTTO-UHFFFAOYSA-N 2 0 557.764 6.789 1 0 KKAFRP CC[NH+](CC)Cc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)c1 ZINC000095576234 562770570 /nfs/dbraw/zinc/77/05/70/562770570.db2.gz SEZGYMIBCAGZIQ-UHFFFAOYSA-N 2 0 616.846 9.634 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095577386 562770950 /nfs/dbraw/zinc/77/09/50/562770950.db2.gz GULDRVQQCVWSCP-UHFFFAOYSA-N 2 0 513.711 6.390 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095578418 562771256 /nfs/dbraw/zinc/77/12/56/562771256.db2.gz AUOUXNQPFCJKKJ-UHFFFAOYSA-N 2 0 562.183 7.433 1 0 KKAFRP CCC1=CC2C[N@H+](C1)CCc1c3cccc(Cl)c3[nH]c1C(C(=O)OC)(c1cc3c(cc1OC)N(C)C1C34CC[NH+]3CC=CC(CC)(C34)C(OC(C)=O)C1(O)C(=O)OC)C2 ZINC000095579185 562771456 /nfs/dbraw/zinc/77/14/56/562771456.db2.gz YVYYDMHCJJMRPF-AGJHSZMPSA-N 2 0 827.419 5.450 1 0 KKAFRP CC[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095580679 562771884 /nfs/dbraw/zinc/77/18/84/562771884.db2.gz IUDDYFCOEGNNOK-UHFFFAOYSA-N 2 0 543.737 6.398 1 0 KKAFRP CSC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCC[NH3+] ZINC000095614369 562786570 /nfs/dbraw/zinc/78/65/70/562786570.db2.gz MYXJMBOKEUCOAG-ACHIHNKUSA-N 2 0 760.739 5.526 1 0 KKAFRP CCCC[n+]1cccc2cc(NC(=O)COc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)ccc21 ZINC000095882154 562790217 /nfs/dbraw/zinc/79/02/17/562790217.db2.gz DJODALRBKFFSMQ-UHFFFAOYSA-P 2 0 562.714 6.438 1 0 KKAFRP COc1cc(OCCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)cc2oc(-c3ccccc3)cc(=O)c12 ZINC000096285559 562795837 /nfs/dbraw/zinc/79/58/37/562795837.db2.gz JBXYRSPJNIZSAT-UHFFFAOYSA-N 2 0 632.805 6.784 1 0 KKAFRP O=c1cc(OCCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000096285560 562795881 /nfs/dbraw/zinc/79/58/81/562795881.db2.gz VBAJECZQEAYMJO-UHFFFAOYSA-N 2 0 618.778 6.481 1 0 KKAFRP COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000096887222 562796637 /nfs/dbraw/zinc/79/66/37/562796637.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 2 0 608.735 6.859 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096901510 562797096 /nfs/dbraw/zinc/79/70/96/562797096.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 2 0 791.739 9.136 1 0 KKAFRP C[NH2+]C[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000096921303 562801381 /nfs/dbraw/zinc/80/13/81/562801381.db2.gz AETSQHDGMUCOLV-FQLXRVMXSA-N 2 0 526.596 7.038 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(-c3cc4ccccc4[nH]3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922779 562801877 /nfs/dbraw/zinc/80/18/77/562801877.db2.gz JWHPGOREBXZART-UHFFFAOYSA-N 4 0 637.825 6.079 1 0 KKAFRP O=C(Cc1ccccc1)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)Cc1ccccc1 ZINC000096935030 562803990 /nfs/dbraw/zinc/80/39/90/562803990.db2.gz UMXXHVMEVAXDSN-UHFFFAOYSA-N 2 0 550.832 5.565 1 0 KKAFRP O=C(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)c1ccccc1O)c1ccccc1O ZINC000096935028 562803999 /nfs/dbraw/zinc/80/39/99/562803999.db2.gz ZSTPDMFXEGINLF-UHFFFAOYSA-N 2 0 554.776 5.118 1 0 KKAFRP COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH2+][C@H]2CC[C@@H]([NH3+])CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000100070528 562806618 /nfs/dbraw/zinc/80/66/18/562806618.db2.gz FRQGIFZNGIECRT-LSKJDRFGSA-N 2 0 580.758 6.171 1 0 KKAFRP Nc1ccc(-c2cc(=O)c3ccc(OCCCN4CC[NH+](CCCNc5c6ccccc6[nH+]c6c5CCCC6)CC4)cc3o2)cc1 ZINC000101703563 562812001 /nfs/dbraw/zinc/81/20/01/562812001.db2.gz SLPHCZJNVLGGEM-UHFFFAOYSA-N 2 0 617.794 6.358 1 0 KKAFRP CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCN4CC[NH+](CCCNc5c6ccccc6[nH+]c6c5CCCC6)CC4)cc3o2)cc1 ZINC000101703557 562812005 /nfs/dbraw/zinc/81/20/05/562812005.db2.gz HZYJRKKNDYPBCG-UHFFFAOYSA-N 2 0 645.848 6.842 1 0 KKAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCC[NH+]2CCCCC2)c1=O ZINC000101744340 562812094 /nfs/dbraw/zinc/81/20/94/562812094.db2.gz XFAWYNQIDKEGLG-PKQPGRETSA-N 2 0 534.789 6.134 1 0 KKAFRP CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3cc[nH+]cc32)CC1 ZINC000103226390 562817841 /nfs/dbraw/zinc/81/78/41/562817841.db2.gz DMPKKWVGKRHQJC-UHFFFAOYSA-N 2 0 553.629 7.156 1 0 KKAFRP COc1ccc(CNC(=O)C[C@H]2c3ccccc3[NH+]=C(N3CCN(CC[NH+](C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240433 562819493 /nfs/dbraw/zinc/81/94/93/562819493.db2.gz NVUOOHYUOQYRFG-BHVANESWSA-N 2 0 616.810 5.797 1 0 KKAFRP C[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251429 562820345 /nfs/dbraw/zinc/82/03/45/562820345.db2.gz QOTCHMKXGNFDLI-UHFFFAOYSA-N 2 0 500.650 5.955 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(NS(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114706942 562828420 /nfs/dbraw/zinc/82/84/20/562828420.db2.gz PBVRVYSNLDWJCZ-UHFFFAOYSA-N 2 0 551.628 5.793 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH2+][C@H]3CC[C@@H]([NH3+])CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118787433 562830571 /nfs/dbraw/zinc/83/05/71/562830571.db2.gz WDKPXBMAYNJPHO-ZRNNJKDISA-N 2 0 576.181 7.125 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH2+]C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794618 562830616 /nfs/dbraw/zinc/83/06/16/562830616.db2.gz KHAYFXPJPHDPRJ-MROAXKPMSA-N 2 0 562.154 6.607 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)c(N)c3)ccc21 ZINC000146819434 562838834 /nfs/dbraw/zinc/83/88/34/562838834.db2.gz WTEFYCRWKDMWIL-UHFFFAOYSA-P 2 0 519.649 5.475 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1ccccn1 ZINC000150351834 562843235 /nfs/dbraw/zinc/84/32/35/562843235.db2.gz DEQWYFQOFSBLFO-BNMQLMAQSA-N 2 0 678.918 8.086 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4OC(F)(F)F)CC3)c2)C1C(=O)OC ZINC000150362738 562843307 /nfs/dbraw/zinc/84/33/07/562843307.db2.gz ZQJNJZLKEZODQC-NPAJZZOTSA-N 2 0 645.679 5.386 1 0 KKAFRP CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572385 562845141 /nfs/dbraw/zinc/84/51/41/562845141.db2.gz NEYJXFWMMBBXBO-WMPKNSHKSA-N 2 0 942.375 6.220 1 0 KKAFRP CC(C)(c1cc(Br)c(OC[C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572389 562845144 /nfs/dbraw/zinc/84/51/44/562845144.db2.gz NEYJXFWMMBBXBO-UIOOFZCWSA-N 2 0 942.375 6.220 1 0 KKAFRP COc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163057799 562849295 /nfs/dbraw/zinc/84/92/95/562849295.db2.gz VOJOFEOZEAFAIH-DHUJRADRSA-N 2 0 705.812 5.774 1 0 KKAFRP COc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163590227 562849355 /nfs/dbraw/zinc/84/93/55/562849355.db2.gz HITOGYOOCJOUAF-KDXMTYKHSA-N 2 0 804.945 6.013 1 0 KKAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCCCCCCCC[NH+]3CCC(Cn4cnc([C@](O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 ZINC000164915060 562849770 /nfs/dbraw/zinc/84/97/70/562849770.db2.gz JIFRXMWKDXCKDK-IOPIWRGFSA-N 2 0 698.953 6.407 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O ZINC000169321629 562856684 /nfs/dbraw/zinc/85/66/84/562856684.db2.gz MHCLZKGUUFRJCO-DHUJRADRSA-N 2 0 666.885 6.498 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(F)c(O)cc3F)CC2)ccc1O ZINC000169321652 562856708 /nfs/dbraw/zinc/85/67/08/562856708.db2.gz PBXXNFYJZUROSJ-DHUJRADRSA-N 2 0 718.864 6.481 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1O ZINC000169321633 562856734 /nfs/dbraw/zinc/85/67/34/562856734.db2.gz XRUGWYOIFVUFLD-DHUJRADRSA-N 2 0 682.884 6.203 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(O)cc(F)c3)CC2)ccc1O ZINC000169321647 562856746 /nfs/dbraw/zinc/85/67/46/562856746.db2.gz YDYGDSDQUGVCTL-DHUJRADRSA-N 2 0 700.874 6.342 1 0 KKAFRP CN(C(=O)[C@](C)(CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCCC[NH3+] ZINC000169329591 562858537 /nfs/dbraw/zinc/85/85/37/562858537.db2.gz WMFBTXOYXGAIPY-BNHMMOKISA-N 2 0 712.694 5.893 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(-c3ccc(Cn4ccc(=[NH2+])c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000169718812 562871326 /nfs/dbraw/zinc/87/13/26/562871326.db2.gz AJIRCONJKMEYCR-UHFFFAOYSA-N 2 0 535.478 7.625 1 0 KKAFRP CC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000195508486 562872053 /nfs/dbraw/zinc/87/20/53/562872053.db2.gz FUMCCVPXFNXOKW-ILAQREBVSA-N 2 0 627.826 5.752 1 0 KKAFRP c1ccc2[nH]c(Nc3ccc(Oc4ncccc4-c4ccnc(N[C@H]5CCC[NH2+]C5)n4)c4ccccc34)nc2c1 ZINC000299823462 562882884 /nfs/dbraw/zinc/88/28/84/562882884.db2.gz DSBYFQXQZZQAFZ-FQEVSTJZSA-N 2 0 528.620 6.268 1 0 KKAFRP O[C@@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000299850688 562890645 /nfs/dbraw/zinc/89/06/45/562890645.db2.gz XISVXJWNLOWHCO-FZNHDDJXSA-N 2 0 560.782 6.160 1 0 KKAFRP S=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000299853001 562891039 /nfs/dbraw/zinc/89/10/39/562891039.db2.gz CWGWQODLMSBNJO-UHFFFAOYSA-N 2 0 723.113 7.489 1 0 KKAFRP O=c1ccc2ccc(OCCCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299859475 562892734 /nfs/dbraw/zinc/89/27/34/562892734.db2.gz HZLYSFRTSCJXAA-UHFFFAOYSA-N 2 0 554.735 5.889 1 0 KKAFRP COc1c(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1Cl ZINC000299861508 562893329 /nfs/dbraw/zinc/89/33/29/562893329.db2.gz IHTRAWRWVJOGMS-UMSFTDKQSA-N 2 0 740.257 6.840 1 0 KKAFRP O=c1oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc2c2c1CCCC2 ZINC000299863176 562893824 /nfs/dbraw/zinc/89/38/24/562893824.db2.gz OSIQHLHPEJAMTO-UHFFFAOYSA-N 2 0 566.746 5.597 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863847 562893978 /nfs/dbraw/zinc/89/39/78/562893978.db2.gz LRIVUPRHLMQOGF-MRUMMDIBSA-N 2 0 606.166 6.980 1 0 KKAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)N[C@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000299868207 562895054 /nfs/dbraw/zinc/89/50/54/562895054.db2.gz REUZFCAPUWZSMB-MCILPLIISA-N 2 0 681.834 5.714 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCC[NH+]=C3C=CN(CCCCCCCCN2C=C1)c1ccccc13 ZINC000377551731 562895901 /nfs/dbraw/zinc/89/59/01/562895901.db2.gz IFZNVKLRNOCERD-UHFFFAOYSA-N 2 0 508.754 8.327 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccc(Cl)cc3)ccn(Cc3ccc(CCc4ccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=[NH2+])c(C)c5-6)cc4)cc3)c1-2 ZINC000377815257 562896082 /nfs/dbraw/zinc/89/60/82/562896082.db2.gz NXMBMRBYLSEKQX-UHFFFAOYSA-N 2 0 801.866 11.799 1 0 KKAFRP Cn1ccc(=[NH+]CCCCCCCCCC[NH+]=c2ccn(C)c3cc(Cl)ccc32)c2ccc(Cl)cc21 ZINC000377825260 562896219 /nfs/dbraw/zinc/89/62/19/562896219.db2.gz MKDLJMMXSVZMLV-UHFFFAOYSA-N 2 0 523.552 7.599 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(=[NH2+])c5ccccc54)cc3)cc2)c2ccccc12 ZINC000377833755 562896225 /nfs/dbraw/zinc/89/62/25/562896225.db2.gz IUSGCMSYYWCXAN-UHFFFAOYSA-N 2 0 522.696 7.217 1 0 KKAFRP Clc1ccc2c(c1)N1C=CC2=[NH+]Cc2ccc(cc2)C[NH+]=C2C=CN(CCCCC1)c1cc(Cl)ccc12 ZINC000377846835 562896375 /nfs/dbraw/zinc/89/63/75/562896375.db2.gz HJDRBPANENPJSG-UHFFFAOYSA-N 2 0 527.499 7.823 1 0 KKAFRP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848915 562896474 /nfs/dbraw/zinc/89/64/74/562896474.db2.gz DZWPBDAZEKMKKS-UHFFFAOYSA-O 2 0 518.645 5.361 1 0 KKAFRP CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C[N@@H+](CCC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848905 562896481 /nfs/dbraw/zinc/89/64/81/562896481.db2.gz ATJUTXJKMYUQMD-UHFFFAOYSA-O 2 0 546.699 6.142 1 0 KKAFRP COCC(=O)O[C@]1(CC[N@H+](C)CCCc2nc3ccccc3[nH]2)CC(C)(C)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473081299 562896629 /nfs/dbraw/zinc/89/66/29/562896629.db2.gz CAFYOFMRFOIFOW-IGYGKHONSA-N 2 0 523.693 6.006 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](CC1CCC([NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000473102894 562898084 /nfs/dbraw/zinc/89/80/84/562898084.db2.gz LLMKKBJCGLWVGL-XRODLIKFSA-N 2 0 576.181 6.602 1 0 KKAFRP CCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473165246 562902930 /nfs/dbraw/zinc/90/29/30/562902930.db2.gz TTXYXNAGFDQSJT-RUCARUNLSA-N 2 0 500.470 6.461 1 0 KKAFRP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215532 562904089 /nfs/dbraw/zinc/90/40/89/562904089.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 2 0 581.871 5.509 1 0 KKAFRP O=C(/C=C/C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CC1CCC1)CC3 ZINC000003960064 561691055 /nfs/dbraw/zinc/69/10/55/561691055.db2.gz AJIAOWVCYKDFGH-KBJNHENKSA-N 2 0 702.980 8.471 1 0 KKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000012504438 561711084 /nfs/dbraw/zinc/71/10/84/561711084.db2.gz ROTFGKJJMRTWBD-MHZLTWQESA-N 2 0 500.731 7.002 1 0 in-vivo KKAFRP c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCCC2 ZINC000013430330 561711731 /nfs/dbraw/zinc/71/17/31/561711731.db2.gz DYVZFRUJFVGVJO-UHFFFAOYSA-N 2 0 520.890 9.643 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Oc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013557702 561718869 /nfs/dbraw/zinc/71/88/69/561718869.db2.gz OUHFAXIDXYDGJX-UHFFFAOYSA-N 2 0 528.718 7.310 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCCC3CC[NH2+]CC3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780321 561729037 /nfs/dbraw/zinc/72/90/37/561729037.db2.gz QLXBJIWDROVPHJ-XMMPIXPASA-N 2 0 525.137 6.207 1 0 KKAFRP OC[C@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819420 561732449 /nfs/dbraw/zinc/73/24/49/561732449.db2.gz RNBWEUULKWTMAR-DCMFLLSESA-N 2 0 504.759 5.493 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096343 561736440 /nfs/dbraw/zinc/73/64/40/561736440.db2.gz QMEPUSMYDLGAOV-UUWRZZSWSA-N 2 0 585.739 7.439 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947313 561744720 /nfs/dbraw/zinc/74/47/20/561744720.db2.gz XXFJVXFGCDTSND-SXOMAYOGSA-N 2 0 593.259 10.176 1 0 in-vivo KKAFRP CN1C[C@@H](c2ccccc2)[NH+](CCCC[N@@H+]2C[C@@H](c3ccccc3)N(C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 561758865 /nfs/dbraw/zinc/75/88/65/561758865.db2.gz AWZHEVVDEMZIDF-ZQWQDMLBSA-N 2 0 558.814 7.227 1 0 KKAFRP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026401520 561788461 /nfs/dbraw/zinc/78/84/61/561788461.db2.gz MVRKCZPRKBNFHA-GDLZYMKVSA-N 2 0 528.785 7.782 1 0 KKAFRP Nc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026505687 561796533 /nfs/dbraw/zinc/79/65/33/561796533.db2.gz PMSDTBFRXHRTAL-UHFFFAOYSA-N 2 0 541.761 6.691 1 0 KKAFRP Oc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026570432 561798019 /nfs/dbraw/zinc/79/80/19/561798019.db2.gz KHTJIDPQPQMHAI-UHFFFAOYSA-N 2 0 542.745 6.814 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)oc(=O)n3CC[NH+]2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026575615 561799376 /nfs/dbraw/zinc/79/93/76/561799376.db2.gz IVSRQATZVDQHTP-UHFFFAOYSA-N 2 0 692.851 7.624 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)COC(=O)N3CC[NH+]2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026576187 561799984 /nfs/dbraw/zinc/79/99/84/561799984.db2.gz KJJPRLXHLHFGRW-UHFFFAOYSA-N 2 0 706.878 8.173 1 0 KKAFRP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744196 561818547 /nfs/dbraw/zinc/81/85/47/561818547.db2.gz XNZBQOHYFIVFRF-AQOUDTPCSA-N 2 0 566.790 5.428 1 0 KKAFRP O=C(c1ccccc1C(=O)N(CCC[NH+]1CCSCC1)CCc1c[nH]c2ccccc12)N(CCC[NH+]1CCSCC1)CCc1c[nH]c2ccccc12 ZINC000026749532 561819490 /nfs/dbraw/zinc/81/94/90/561819490.db2.gz GPYAAZVGXFVYBF-UHFFFAOYSA-N 2 0 737.052 6.897 1 0 KKAFRP [NH3+]CCCCCCCC[NH2+]Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2C2CC[NH2+]CC2)cc1 ZINC000026961187 561829633 /nfs/dbraw/zinc/82/96/33/561829633.db2.gz DEWJJUSWXKNBEF-UHFFFAOYSA-N 3 0 516.561 6.247 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027096868 561838149 /nfs/dbraw/zinc/83/81/49/561838149.db2.gz HGYFKFSPZKUNQS-UHFFFAOYSA-N 2 0 554.756 7.139 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027099566 561838515 /nfs/dbraw/zinc/83/85/15/561838515.db2.gz SAGPOFVMVGEWFD-UHFFFAOYSA-N 2 0 542.745 6.814 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)c3ccccc3)c3ccccc32)c2ccccc12 ZINC000027103356 561839422 /nfs/dbraw/zinc/83/94/22/561839422.db2.gz RGECDIAIGKAVGJ-UHFFFAOYSA-N 2 0 608.874 9.925 1 0 KKAFRP O=C(NCC[NH+]1CCCCC1)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027298671 561848608 /nfs/dbraw/zinc/84/86/08/561848608.db2.gz XAWMVBRRSKLCED-UHFFFAOYSA-N 2 0 603.251 6.175 1 0 KKAFRP CNC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027526258 561866317 /nfs/dbraw/zinc/86/63/17/561866317.db2.gz DCGSNFHTNRDXFG-LJAQVGFWSA-N 2 0 566.693 5.137 1 0 KKAFRP COc1cc(C[NH+](CCCC[NH3+])Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000027656971 561877779 /nfs/dbraw/zinc/87/77/79/561877779.db2.gz OYVFOYCOWWMHAZ-UHFFFAOYSA-N 2 0 540.704 6.603 1 0 KKAFRP c1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCCC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000027711336 561879788 /nfs/dbraw/zinc/87/97/88/561879788.db2.gz LMKHAPGKVHDDCW-UHFFFAOYSA-N 3 0 615.907 7.238 1 0 KKAFRP CC(C)C[NH+]1CCC(CCCn2c3cccc(OCCC[NH+]4CCCCC4)c3nc2COc2ccccc2)CC1 ZINC000027731036 561881327 /nfs/dbraw/zinc/88/13/27/561881327.db2.gz NGEFCJZNHBRPAY-UHFFFAOYSA-N 2 0 546.800 7.018 1 0 KKAFRP O=C(CC[NH+]1CCCC1)c1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027733276 561881543 /nfs/dbraw/zinc/88/15/43/561881543.db2.gz CBVFBSNZTQYMMH-UHFFFAOYSA-N 2 0 538.757 7.302 1 0 KKAFRP Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(C[NH+](Cc3cccc(C)c3)Cc3cccc(C)c3)n2)c1 ZINC000027767607 561884761 /nfs/dbraw/zinc/88/47/61/561884761.db2.gz AEJLRQPSHBYUDO-UHFFFAOYSA-N 2 0 550.791 6.183 1 0 KKAFRP CC[N@@H+]1CCC[C@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027860001 561887030 /nfs/dbraw/zinc/88/70/30/561887030.db2.gz CHXNCLQUSSPPEM-PMERELPUSA-N 2 0 540.773 7.497 1 0 KKAFRP C[N@@H+]1CCC[C@H]1CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027869331 561888059 /nfs/dbraw/zinc/88/80/59/561888059.db2.gz ZNHUBSFZPDKCJT-NDEPHWFRSA-N 2 0 540.773 7.497 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000027871731 561888387 /nfs/dbraw/zinc/88/83/87/561888387.db2.gz WXRMFGSQJJUVRC-CZNDPXEESA-N 2 0 594.821 8.060 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[N@@H+]3CCC[C@@H]3CO)cc2)ccc1C[NH+]1CCCC1 ZINC000027879165 561888892 /nfs/dbraw/zinc/88/88/92/561888892.db2.gz GHEMVOFVZQDLMK-HHHXNRCGSA-N 2 0 572.771 6.305 1 0 KKAFRP CC(C)CCn1cc(NC(=O)c2ccc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c4)ccc3c2)cc1C(=O)NCCC(N)=[NH2+] ZINC000027887178 561889580 /nfs/dbraw/zinc/88/95/80/561889580.db2.gz MMYODNCOHCGWJS-UHFFFAOYSA-N 2 0 710.884 5.151 1 0 KKAFRP Clc1ccc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000027980924 561891656 /nfs/dbraw/zinc/89/16/56/561891656.db2.gz RKXRKRPDZVBZTI-UHFFFAOYSA-N 4 0 591.756 8.513 1 0 KKAFRP Clc1cccc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2cccc(Cl)c2)c1 ZINC000027980931 561891707 /nfs/dbraw/zinc/89/17/07/561891707.db2.gz JWDHPOYUHHTINO-UHFFFAOYSA-N 4 0 591.756 8.513 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249875 561910860 /nfs/dbraw/zinc/91/08/60/561910860.db2.gz COSYVLIRDFEWDN-WMPKNSHKSA-N 2 0 564.734 5.378 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257906 561911886 /nfs/dbraw/zinc/91/18/86/561911886.db2.gz LXWHNYYETIMYQL-FQLXRVMXSA-N 2 0 606.815 6.549 1 0 KKAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)NCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000028375624 561919221 /nfs/dbraw/zinc/91/92/21/561919221.db2.gz ULUOQAKLSOZPPT-UHFFFAOYSA-N 2 0 622.557 5.363 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000028396754 561923183 /nfs/dbraw/zinc/92/31/83/561923183.db2.gz IIQVVJROFUIBKP-PGUFJCEWSA-N 2 0 537.792 7.127 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)c3)c2)cc1 ZINC000028457540 561924170 /nfs/dbraw/zinc/92/41/70/561924170.db2.gz VMKJIJDZSLAQCN-UHFFFAOYSA-N 2 0 617.624 8.868 1 0 KKAFRP CC(C)C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028476512 561928242 /nfs/dbraw/zinc/92/82/42/561928242.db2.gz YWVMACLMOFHBBY-MUUNZHRXSA-N 2 0 573.634 5.893 1 0 KKAFRP COCCc1sc[n+](CCCCc2ccc(CCCC[n+]3csc(CCOC)c3C)cc2)c1C ZINC000028520552 561928938 /nfs/dbraw/zinc/92/89/38/561928938.db2.gz ISSPFZIASALONR-UHFFFAOYSA-N 2 0 502.790 5.425 1 0 KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@H+](C)CCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523155 561929988 /nfs/dbraw/zinc/92/99/88/561929988.db2.gz JPBICZJGLXJNKG-RRPNLBNLSA-N 3 0 608.274 8.937 1 0 KKAFRP FC(F)(F)c1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523560 561930273 /nfs/dbraw/zinc/93/02/73/561930273.db2.gz ISRYLULACQBAPM-AREMUKBSSA-N 2 0 527.597 6.548 1 0 KKAFRP CC(C)([NH3+])CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)n2)s1 ZINC000028566843 561936466 /nfs/dbraw/zinc/93/64/66/561936466.db2.gz OZEUHFQBMMLXLH-UHFFFAOYSA-N 2 0 518.731 5.319 1 0 KKAFRP COc1cc2c(cc1OC)C[N@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000028571205 561939217 /nfs/dbraw/zinc/93/92/17/561939217.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 2 0 611.827 5.717 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646333 561945127 /nfs/dbraw/zinc/94/51/27/561945127.db2.gz DRSLEYLXVNRDKA-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646373 561945145 /nfs/dbraw/zinc/94/51/45/561945145.db2.gz OSBBNXANCGTXBW-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP Cc1ccc(-c2ccccc2CCC[NH+]2CCN(C[C@@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000028646392 561945344 /nfs/dbraw/zinc/94/53/44/561945344.db2.gz UMURJMSMTSOEKN-DHUJRADRSA-N 2 0 542.787 6.119 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(N(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646433 561945384 /nfs/dbraw/zinc/94/53/84/561945384.db2.gz QAHPGFWCLSTEMJ-PSXMRANNSA-N 2 0 571.829 5.876 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646207 561944928 /nfs/dbraw/zinc/94/49/28/561944928.db2.gz NTBLOUVNUSNVNG-WJOKGBTCSA-N 2 0 549.601 5.531 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646213 561944995 /nfs/dbraw/zinc/94/49/95/561944995.db2.gz FCNCDDRBEIHYQX-WJOKGBTCSA-N 2 0 549.601 5.531 1 0 KKAFRP c1ccc2c(NCCC[NH2+]Cc3cc(OCCCNc4cc[nH+]c5ccccc45)cc(OCCCNc4cc[nH+]c5ccccc45)c3)cc[nH+]c2c1 ZINC000028650129 561945865 /nfs/dbraw/zinc/94/58/65/561945865.db2.gz JEPZSMPXHPFXIQ-UHFFFAOYSA-N 4 0 691.880 8.685 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCCNc1ccc(Cc2ccc(NCCCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713732 561954161 /nfs/dbraw/zinc/95/41/61/561954161.db2.gz IEQRDEZPRPLGOU-UHFFFAOYSA-N 2 0 636.925 8.819 1 0 KKAFRP CCOC(=O)CCC(=O)N(C/C=C/c1cccc(C(N)=[NH2+])c1)c1ccc(OC2CCN(C(C)=[NH2+])CC2)c(C(F)(F)F)c1 ZINC000028758356 561957210 /nfs/dbraw/zinc/95/72/10/561957210.db2.gz JGKDGRZVRGTIIF-OQASYWHQSA-N 2 0 587.643 5.220 1 0 KKAFRP [NH3+]Cc1cnc([C@@]23C[C@@H]2C[C@H](N(CC[NH+]2CCCC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)s1 ZINC000028825132 561970339 /nfs/dbraw/zinc/97/03/39/561970339.db2.gz QBVDFNJQKJUCAX-GXYVPTEVSA-N 2 0 525.616 5.200 1 0 KKAFRP CC(C)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3c(F)cccc3[C@@H]([NH3+])C(C)C)CC2)C1 ZINC000028824177 561969135 /nfs/dbraw/zinc/96/91/35/561969135.db2.gz AAQQSWWMBVNKIB-WEWMWRJBSA-N 2 0 515.117 5.155 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCOCCOCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000028824305 561969363 /nfs/dbraw/zinc/96/93/63/561969363.db2.gz YIEHIIKZXHJHAT-UHFFFAOYSA-N 2 0 510.682 6.098 1 0 KKAFRP FC(F)(F)c1ccc(OC[C@H]2CCC[N@@H+]2CCCCCCCCCCCCCCCC[NH+]2CCC[C@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865222 561973370 /nfs/dbraw/zinc/97/33/70/561973370.db2.gz INRWUGJSBXSJNL-TYHGNQNSSA-N 2 0 712.904 11.572 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873107 561974777 /nfs/dbraw/zinc/97/47/77/561974777.db2.gz QEXXYGNBTIMULY-UHFFFAOYSA-N 2 0 650.864 5.891 1 0 KKAFRP COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC[N@H+](C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874813 561975255 /nfs/dbraw/zinc/97/52/55/561975255.db2.gz XVXQCAYRXMTFHP-UUWRZZSWSA-N 2 0 584.805 6.383 1 0 KKAFRP c1ccc(-c2c(-c3ccc(OCC[NH+]4CCCC4)cc3)oc3ncnc(NCCC4CC[NH2+]CC4)c32)cc1 ZINC000028879346 561976275 /nfs/dbraw/zinc/97/62/75/561976275.db2.gz PNGBKTYRDRRBHW-UHFFFAOYSA-N 2 0 511.670 5.833 1 0 KKAFRP COC[C@H](C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953886 561982578 /nfs/dbraw/zinc/98/25/78/561982578.db2.gz NTSVKAKPSQAZRL-XGNZJKERSA-N 2 0 567.218 5.027 1 0 KKAFRP CSc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953997 561982750 /nfs/dbraw/zinc/98/27/50/561982750.db2.gz DQOPVQXAYWXMOM-JSOSNVBQSA-N 2 0 583.286 6.123 1 0 KKAFRP CC(C)Oc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953999 561982881 /nfs/dbraw/zinc/98/28/81/561982881.db2.gz VTDVEUXJCSBBRN-SAIUNTKASA-N 2 0 595.272 6.188 1 0 KKAFRP CC(C)C[C@H](NC(=O)[C@@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960138 561983947 /nfs/dbraw/zinc/98/39/47/561983947.db2.gz UDTYAJUDWQPEAI-URENDEMCSA-N 2 0 636.203 5.682 1 0 KKAFRP CC[NH+](CC)CCOC1CC[NH+](CCc2c3cc(C(C)(C)C(=O)N4C5CCC4CC5)sc3[nH]c2-c2cc(C)cc(C)c2)CC1 ZINC000028961737 561984414 /nfs/dbraw/zinc/98/44/14/561984414.db2.gz GGPQGRBMWCVKSK-UHFFFAOYSA-N 2 0 618.932 7.310 1 0 KKAFRP Oc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000028970211 561985784 /nfs/dbraw/zinc/98/57/84/561985784.db2.gz CANRNZBVKKQKEQ-ZLBQZKQXSA-N 2 0 564.774 6.561 1 0 in-vivo KKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055834 561995036 /nfs/dbraw/zinc/99/50/36/561995036.db2.gz YBOHCXLIWATJCJ-KKLWWLSJSA-N 2 0 520.802 7.626 1 0 in-vivo KKAFRP CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029041001 561990911 /nfs/dbraw/zinc/99/09/11/561990911.db2.gz XMJCAKYPNFXGTG-OPHFCASCSA-N 2 0 523.936 5.487 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@@H](O)CCC[N@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042063 561991321 /nfs/dbraw/zinc/99/13/21/561991321.db2.gz FWKMZPGKUSOYOX-VBUCXWSESA-N 2 0 582.789 5.756 1 0 KKAFRP Oc1cccc2c3ccnc([C@H]4C[C@@]5(O)CCCCCCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000029042118 561991364 /nfs/dbraw/zinc/99/13/64/561991364.db2.gz HAZNBOATCVAWRJ-WBCHSXSYSA-N 2 0 570.822 7.100 1 0 KKAFRP C1=C\CCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000029131884 562003134 /nfs/dbraw/zinc/00/31/34/562003134.db2.gz SYXOAOJXWNCUDJ-UPHRSURJSA-N 2 0 518.874 9.419 1 0 KKAFRP CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000029324001 562013285 /nfs/dbraw/zinc/01/32/85/562013285.db2.gz GOOTVQNYEGOTOF-HDPTYEICSA-N 2 0 524.743 5.276 1 0 KKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCCCn2ccc(=[NH+]C[C@H](CC)CCCC)cc2)cc1 ZINC000029233149 562009385 /nfs/dbraw/zinc/00/93/85/562009385.db2.gz OIOQEZPSDPZXGZ-ROJLCIKYSA-N 2 0 522.866 8.565 1 0 KKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029235805 562009686 /nfs/dbraw/zinc/00/96/86/562009686.db2.gz GSZHDSXJDBUCGK-QRRGNZNSSA-N 2 0 508.839 8.175 1 0 KKAFRP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548649 562030492 /nfs/dbraw/zinc/03/04/92/562030492.db2.gz YCGNDFOYUIBXSD-AQOUDTPCSA-N 2 0 622.810 5.488 1 0 KKAFRP CCCCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1OCCCC ZINC000033922525 562037872 /nfs/dbraw/zinc/03/78/72/562037872.db2.gz VSFIKHFVWBEFKU-MUUNZHRXSA-N 2 0 516.770 7.897 1 0 in-vitro KKAFRP CC(C)(C[C@H]1CCC[NH2+]1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803761 562042561 /nfs/dbraw/zinc/04/25/61/562042561.db2.gz CREAHOIFFJGQJC-BBANNHEPSA-N 2 0 523.681 5.383 1 0 KKAFRP c1ccc(C[NH+]2CCC(Nc3ccc4[nH]nc(-c5nc6cc(N7CCC([NH+]8CCCCC8)CC7)ccc6[nH]5)c4c3)CC2)cc1 ZINC000036241952 562052108 /nfs/dbraw/zinc/05/21/08/562052108.db2.gz GGFQIKFJFWLNNJ-UHFFFAOYSA-N 2 0 588.804 6.637 1 0 KKAFRP CC(C)CC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C(C)C)CC1 ZINC000036285267 562053951 /nfs/dbraw/zinc/05/39/51/562053951.db2.gz GSXDYZPMLCQEKT-AJQTZOPKSA-N 2 0 608.271 5.035 1 0 KKAFRP C[NH+](C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCC[NH+](C)C)c2)cc2cc(O)ccc21 ZINC000040918847 562084385 /nfs/dbraw/zinc/08/43/85/562084385.db2.gz VPLFRFDOPHVRPS-UHFFFAOYSA-N 2 0 511.670 5.640 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCc2cccc(CCNc3c4ccccc4[nH+]c4c3CCCC4)c2)CCCC1 ZINC000040951478 562086061 /nfs/dbraw/zinc/08/60/61/562086061.db2.gz ODQNIVRICPGBHA-UHFFFAOYSA-N 2 0 526.728 7.850 1 0 KKAFRP CCC(CC)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])NC(CC)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000043075596 562645697 /nfs/dbraw/zinc/64/56/97/562645697.db2.gz DMYIZWPSGZUWES-UHFFFAOYSA-N 2 0 626.809 8.773 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044305114 562653344 /nfs/dbraw/zinc/65/33/44/562653344.db2.gz JHJIOXPTSJDSGT-UHFFFAOYSA-N 2 0 570.701 7.212 1 0 KKAFRP CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044305142 562653359 /nfs/dbraw/zinc/65/33/59/562653359.db2.gz HOBGGJRCUJAVDE-MPQUPPDSSA-N 2 0 612.859 5.543 1 0 KKAFRP CC[NH+](CCCCCCN1CC(=O)N(CCCCCC[N@@H+](CC)Cc2ccccc2OC)CC1=O)Cc1ccccc1OC ZINC000044351373 562654643 /nfs/dbraw/zinc/65/46/43/562654643.db2.gz RCSRPMHQFUUQRZ-UHFFFAOYSA-N 2 0 608.868 5.839 1 0 KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000044351350 562654648 /nfs/dbraw/zinc/65/46/48/562654648.db2.gz OPYHJSFFTGKOLA-UHFFFAOYSA-N 2 0 596.820 7.185 1 0 KKAFRP CCCC[NH+](CCCC)[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000044358468 562655330 /nfs/dbraw/zinc/65/53/30/562655330.db2.gz OPHQDUAJESQKGI-BVRKHOPBSA-N 2 0 575.669 7.201 1 0 KKAFRP CCOC(=O)c1cc(C(=[NH2+])NC(C)C)ccc1OCCCCCOc1ccc(C(=[NH2+])NC(C)C)cc1C(=O)OCC ZINC000044360176 562655570 /nfs/dbraw/zinc/65/55/70/562655570.db2.gz UHBSPYNDMYIOTE-UHFFFAOYSA-N 2 0 568.715 5.315 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Cc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044361815 562655735 /nfs/dbraw/zinc/65/57/35/562655735.db2.gz PEMCAEYVRGVBKW-UHFFFAOYSA-N 2 0 568.729 7.011 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]C4CCCC4)c3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000045189706 562658386 /nfs/dbraw/zinc/65/83/86/562658386.db2.gz ZDKUMBSHEYCYNY-UHFFFAOYSA-N 2 0 539.768 6.057 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190154 562658448 /nfs/dbraw/zinc/65/84/48/562658448.db2.gz MEJKIBRHTNWGNT-YTTGMZPUSA-N 2 0 518.721 5.133 1 0 KKAFRP CCCOc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OCCC)c3ccccc23)c2ccccc12 ZINC000045201901 562659086 /nfs/dbraw/zinc/65/90/86/562659086.db2.gz OAMLTOFMFUWHHA-UHFFFAOYSA-N 2 0 512.738 8.010 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000045231377 562659685 /nfs/dbraw/zinc/65/96/85/562659685.db2.gz NWGQEIQRJIXFIL-HKBQPEDESA-N 2 0 518.721 5.133 1 0 KKAFRP FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc2c1 ZINC000045302062 562660582 /nfs/dbraw/zinc/66/05/82/562660582.db2.gz KEQYBWOKYPSZAY-UHFFFAOYSA-N 2 0 513.567 6.633 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000045318793 562660924 /nfs/dbraw/zinc/66/09/24/562660924.db2.gz FLEFAPOLARGJQP-UUWRZZSWSA-N 2 0 544.759 5.647 1 0 KKAFRP COCC[NH2+]Cc1cccc(-c2ccccc2CN(C(=O)Nc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000048307318 562662967 /nfs/dbraw/zinc/66/29/67/562662967.db2.gz SIELPDBLISBKSM-UHFFFAOYSA-N 2 0 562.758 6.788 1 0 KKAFRP C[C@H](Cc1ccc(OCC(=O)NCC2CC[NH+](CCc3cccc(Cl)c3)CC2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049604982 562665188 /nfs/dbraw/zinc/66/51/88/562665188.db2.gz HXJROVWRODAPFY-RUZDIDTESA-N 2 0 582.616 6.206 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000049604997 562665197 /nfs/dbraw/zinc/66/51/97/562665197.db2.gz NRUUGDJURNJBPY-UHFFFAOYSA-N 2 0 566.834 7.608 1 0 KKAFRP O=C(c1cccs1)N(Cc1cccc(-c2ccc(C[NH2+]C3CCCC3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605279 562665614 /nfs/dbraw/zinc/66/56/14/562665614.db2.gz MIKFGHDGKGGJNR-UHFFFAOYSA-N 2 0 563.811 7.754 1 0 KKAFRP C[C@H](Cc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049605374 562665771 /nfs/dbraw/zinc/66/57/71/562665771.db2.gz CDCQQDZPUSTBOS-KRNDDSPESA-N 2 0 641.661 6.335 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccccc1-c1ccc(C[NH2+]C2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605427 562665840 /nfs/dbraw/zinc/66/58/40/562665840.db2.gz MVNRPYLYUPBSQG-UHFFFAOYSA-N 2 0 600.851 7.805 1 0 KKAFRP Cc1ccc(S(=O)(=O)N(CCCN2CC[NH+](C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049605591 562666065 /nfs/dbraw/zinc/66/60/65/562666065.db2.gz HSTOCHBOESKCJZ-UHFFFAOYSA-N 2 0 603.858 5.237 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)CCC[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605762 562666283 /nfs/dbraw/zinc/66/62/83/562666283.db2.gz REXBUNUZTPIOJH-BJKOFHAPSA-N 2 0 540.579 7.086 1 0 KKAFRP CCCCOc1c(CC[NH2+]CCCC[NH2+]CCc2cc(OC)c3ccccc3c2OCCCC)cc(OC)c2ccccc21 ZINC000049625974 562666928 /nfs/dbraw/zinc/66/69/28/562666928.db2.gz ZEPUBEAVDYTACC-UHFFFAOYSA-N 2 0 600.844 8.113 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]CCc3ccc(C(F)(F)F)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049626024 562666949 /nfs/dbraw/zinc/66/69/49/562666949.db2.gz ZGVNIXGBMKEIHI-IZZNHLLZSA-N 2 0 622.175 8.138 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccccc2CN(C(=O)NCCc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000049626890 562667365 /nfs/dbraw/zinc/66/73/65/562667365.db2.gz XMZHEUPYELLHPW-UHFFFAOYSA-N 2 0 588.840 7.518 1 0 KKAFRP Oc1ccc2[nH]cc(C3CC[NH+](CCCCCCCCC[NH+]4CCC(c5c[nH]c6ccc(O)cc65)CC4)CC3)c2c1 ZINC000049626845 562667388 /nfs/dbraw/zinc/66/73/88/562667388.db2.gz TZTPOJATPVKAPH-UHFFFAOYSA-N 2 0 556.795 7.850 1 0 KKAFRP Cc1ccc2c(c1)nc(N(C)CCC[NH+](C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694427 562669328 /nfs/dbraw/zinc/66/93/28/562669328.db2.gz NCHIURPMMQKWET-UHFFFAOYSA-N 2 0 579.793 5.789 1 0 KKAFRP CCOc1ccccc1CC[NH2+][C@H](C)Cc1ccc(C(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000049710038 562671495 /nfs/dbraw/zinc/67/14/95/562671495.db2.gz YBYBHEJTYRHGER-WUFINQPMSA-N 2 0 598.231 7.518 1 0 KKAFRP CCCCOc1c(CC[NH2+]CCCC[NH2+]CCc2cc(F)c3ccccc3c2OCCCC)cc(F)c2ccccc21 ZINC000049722680 562672363 /nfs/dbraw/zinc/67/23/63/562672363.db2.gz STNHYWQPQGIIKP-UHFFFAOYSA-N 2 0 576.772 8.374 1 0 KKAFRP C[C@H](Cc1ccc(OCCCCCCOc2ccc(C[C@@H](C)[NH2+][C@H](C)c3ccccc3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049722917 562672678 /nfs/dbraw/zinc/67/26/78/562672678.db2.gz QHGCOMSRVQXUEQ-IRLLMRRASA-N 2 0 643.312 8.894 1 0 KKAFRP O=C(Cc1cccnc1)N(Cc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)cn2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049723101 562672964 /nfs/dbraw/zinc/67/29/64/562672964.db2.gz ZYIUFHMRGVPXMV-UHFFFAOYSA-N 2 0 596.779 6.064 1 0 KKAFRP C[C@H](Cc1ccc(OCCCCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049723155 562673034 /nfs/dbraw/zinc/67/30/34/562673034.db2.gz CRMRMICDORWXIP-REAFLCQPSA-N 2 0 693.756 8.520 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049723288 562673160 /nfs/dbraw/zinc/67/31/60/562673160.db2.gz KUHXGIGQCFVKDX-UHFFFAOYSA-N 2 0 605.783 6.044 1 0 KKAFRP CN1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000049746460 562674430 /nfs/dbraw/zinc/67/44/30/562674430.db2.gz FWWHROPNFJVMDD-UHFFFAOYSA-N 2 0 576.855 6.885 1 0 KKAFRP C[C@H](Cc1ccc(OCC(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049777095 562679627 /nfs/dbraw/zinc/67/96/27/562679627.db2.gz GRJDYIAVKUZOSM-RRPNLBNLSA-N 2 0 618.649 7.538 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)COc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049777098 562679650 /nfs/dbraw/zinc/67/96/50/562679650.db2.gz GRJDYIAVKUZOSM-SXOMAYOGSA-N 2 0 618.649 7.538 1 0 KKAFRP FC(F)(F)c1cccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780511 562681824 /nfs/dbraw/zinc/68/18/24/562681824.db2.gz FEDVYUAIZCBRJF-XQGRUXGKSA-N 3 0 723.972 7.069 1 0 KKAFRP Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](C[NH3+])C(=O)N(Cc3cc(CCC[NH+](C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781152 562682733 /nfs/dbraw/zinc/68/27/33/562682733.db2.gz DYGTZUDCRYLTSM-NDEPHWFRSA-N 2 0 645.115 7.770 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000049808292 562686650 /nfs/dbraw/zinc/68/66/50/562686650.db2.gz CIZPSODVAFXITO-KXQOOQHDSA-N 2 0 681.947 6.720 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1cc(NC(=O)Nc2cc(NC(=O)CC[NH+]3CCCC3)cc(C(=O)Nc3ccccc3)c2)cc(C(=O)Nc2ccccc2)c1 ZINC000049841102 562688014 /nfs/dbraw/zinc/68/80/14/562688014.db2.gz NFTOMVMNBSDGGK-UHFFFAOYSA-N 2 0 730.870 6.684 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3sc(-c4nc5cc(C(=[NH2+])NC(C)C)ccc5[nH]4)c4c3OCCO4)nc2c1 ZINC000049867388 562689430 /nfs/dbraw/zinc/68/94/30/562689430.db2.gz LEOXCVJAEHZZIJ-UHFFFAOYSA-N 2 0 542.669 5.253 1 0 KKAFRP CC(C)(C)OC(=O)N[C@@H](CCC(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2)C(=O)NCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000049898788 562692823 /nfs/dbraw/zinc/69/28/23/562692823.db2.gz SDWNZYRDLZAVEZ-UMSFTDKQSA-N 2 0 693.893 5.971 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)C[NH+]5CCCC5)cc4)c3)c2)cc1 ZINC000049899581 562693260 /nfs/dbraw/zinc/69/32/60/562693260.db2.gz CROYNBMTRRPDSN-UHFFFAOYSA-N 2 0 702.816 5.904 1 0 KKAFRP [NH3+]CCc1c2c(ccc(O)c2[C@@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899642 562693317 /nfs/dbraw/zinc/69/33/17/562693317.db2.gz KJQYELPBSPDCOH-SFTDATJTSA-N 3 0 650.419 6.044 1 0 KKAFRP CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3cccc(CN4CC[NH2+]CC4)c3)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049917523 562693509 /nfs/dbraw/zinc/69/35/09/562693509.db2.gz CGVXAESNFXPFAA-UHFFFAOYSA-N 2 0 645.848 6.634 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1cccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917544 562693545 /nfs/dbraw/zinc/69/35/45/562693545.db2.gz PMSZFYKJJORKOK-UHFFFAOYSA-N 2 0 638.812 8.071 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917695 562693781 /nfs/dbraw/zinc/69/37/81/562693781.db2.gz CVACZFYQVUKCCT-MNNSJKJDSA-N 2 0 562.076 5.814 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000049918026 562694308 /nfs/dbraw/zinc/69/43/08/562694308.db2.gz PFBGSBNXQKDUCO-UHFFFAOYSA-N 3 0 693.958 5.819 1 0 KKAFRP C[C@H](Cc1ccc(CNC(=O)c2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049918194 562694603 /nfs/dbraw/zinc/69/46/03/562694603.db2.gz MVLHSUZWHPZITR-SXOMAYOGSA-N 2 0 602.650 7.450 1 0 KKAFRP C[C@H](Cc1ccc(CNC(=O)c2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049918192 562694627 /nfs/dbraw/zinc/69/46/27/562694627.db2.gz MVLHSUZWHPZITR-KAYWLYCHSA-N 2 0 602.650 7.450 1 0 KKAFRP c1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058534594 562698658 /nfs/dbraw/zinc/69/86/58/562698658.db2.gz BOAPHGYLZRIUAU-KWESMLHDSA-N 3 0 655.975 6.050 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+] ZINC000058540964 562698913 /nfs/dbraw/zinc/69/89/13/562698913.db2.gz KFACEZJIBWZGJP-BSUMSBOOSA-N 3 0 659.967 6.647 1 0 KKAFRP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000064379495 562704891 /nfs/dbraw/zinc/70/48/91/562704891.db2.gz KBMKKADZRZDNII-FLBADVGZSA-N 2 0 624.821 5.213 1 0 KKAFRP O=C(c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000064513438 562706390 /nfs/dbraw/zinc/70/63/90/562706390.db2.gz MBBLYOALTCWBEV-SHYUYHRMSA-N 2 0 506.650 5.540 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCCCCCCCC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066073941 562709603 /nfs/dbraw/zinc/70/96/03/562709603.db2.gz NVEMUJANQDPDSC-PGUFJCEWSA-N 2 0 640.825 6.968 1 0 KKAFRP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000068198118 562715864 /nfs/dbraw/zinc/71/58/64/562715864.db2.gz JXNANVRQOVBMQP-UHFFFAOYSA-N 2 0 619.696 5.207 1 0 KKAFRP CC(C)(C)c1ccc(NC(=O)CC[NH3+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CC[NH3+])nc2)c1 ZINC000071295167 562717148 /nfs/dbraw/zinc/71/71/48/562717148.db2.gz NUEZKGGBONDKEC-UHFFFAOYSA-N 2 0 515.702 5.585 1 0 KKAFRP CCC[N@H+](CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071319438 562718793 /nfs/dbraw/zinc/71/87/93/562718793.db2.gz PMHUNJLVEGNLQB-UHFFFAOYSA-N 2 0 522.564 7.379 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCC3)cc2)ccc1CCCCc1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1 ZINC000071333003 562719456 /nfs/dbraw/zinc/71/94/56/562719456.db2.gz CTGPWHAVZPAHFL-UHFFFAOYSA-N 2 0 532.776 6.124 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCC3)cc2)ccc1CCCc1ccc(C[n+]2ccc(N3CCCCC3)cc2)cc1 ZINC000071359411 562720122 /nfs/dbraw/zinc/72/01/22/562720122.db2.gz ONSPQJAUTIRGNX-UHFFFAOYSA-N 2 0 546.803 6.514 1 0 KKAFRP O=C1C(c2c[nH]c3ccccc23)=C(c2ccccc2)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2ccccc2)C1=O ZINC000072113399 562722338 /nfs/dbraw/zinc/72/23/38/562722338.db2.gz GUHSBXAEMGDRML-UHFFFAOYSA-N 2 0 702.815 5.478 1 0 KKAFRP N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)c4ccccn4)cc3OC3CC[NH2+]CC3)o2)c(OC2CC[NH2+]CC2)c1)c1ccccn1 ZINC000072113949 562722483 /nfs/dbraw/zinc/72/24/83/562722483.db2.gz ZOPMAKJQIUYLIW-UHFFFAOYSA-N 2 0 656.791 6.540 1 0 in-vitro KKAFRP O=C(C[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120044 562723963 /nfs/dbraw/zinc/72/39/63/562723963.db2.gz LOHRAGBTUWVJJT-UHFFFAOYSA-N 2 0 541.655 5.904 1 0 KKAFRP Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(C[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147863 562729910 /nfs/dbraw/zinc/72/99/10/562729910.db2.gz MNELPRYAPHNIFL-IHLOFXLRSA-N 2 0 657.082 7.549 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)[nH+]c(NCCc2ccc(Cl)cc2)n1 ZINC000073198354 562735700 /nfs/dbraw/zinc/73/57/00/562735700.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 2 0 514.505 5.384 1 0 KKAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000082181765 562741986 /nfs/dbraw/zinc/74/19/86/562741986.db2.gz SPJOCSPTXXQQQQ-JPZUFNMASA-N 2 0 665.923 5.622 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)CCc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084652107 562746392 /nfs/dbraw/zinc/74/63/92/562746392.db2.gz YGROTYBAAMMXHU-SBVPHTNJSA-N 2 0 687.864 5.900 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084652612 562746625 /nfs/dbraw/zinc/74/66/25/562746625.db2.gz CCIXUQAEAWQXGP-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccncc2)CCc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653441 562746863 /nfs/dbraw/zinc/74/68/63/562746863.db2.gz RXJAIGOAJAFHPC-SBVPHTNJSA-N 2 0 687.864 5.900 1 0 KKAFRP C[NH+](CCNC(=O)CCCCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536873 562754214 /nfs/dbraw/zinc/75/42/14/562754214.db2.gz AVUJTHSKHNOMQK-UHFFFAOYSA-N 2 0 833.821 6.862 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCc1ccccn1 ZINC000095539686 562755238 /nfs/dbraw/zinc/75/52/38/562755238.db2.gz GMUQQJNPGHVYLU-BCRBLDSWSA-N 2 0 805.758 6.191 1 0 KKAFRP CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1cccc(n1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000095540161 562755560 /nfs/dbraw/zinc/75/55/60/562755560.db2.gz WOQMCTURAQFSJN-UHFFFAOYSA-N 2 0 768.921 8.662 1 0 KKAFRP COc1ccc(NC(=O)c2ccc(OCCCCCCCOc3ccc(C(=O)Nc4ccc(OC)c(N5CC[NH+](C)CC5)c4)cc3)cc2)cc1N1CC[NH+](C)CC1 ZINC000095544095 562757631 /nfs/dbraw/zinc/75/76/31/562757631.db2.gz OAMCIVAOVQHSQF-UHFFFAOYSA-N 2 0 778.995 7.120 1 0 KKAFRP O=C(N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550055 562759893 /nfs/dbraw/zinc/75/98/93/562759893.db2.gz RFKDBORJIKLFCM-BNJDOESSSA-N 2 0 767.030 9.005 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576397 562770620 /nfs/dbraw/zinc/77/06/20/562770620.db2.gz GNEJSUKYIBOPAJ-YXCIKLIPSA-N 2 0 576.866 7.242 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCC[NH+](C)C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576440 562770640 /nfs/dbraw/zinc/77/06/40/562770640.db2.gz TWBWBKOQSYWKQM-JTUQKUIRSA-N 2 0 548.812 6.462 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095577343 562770906 /nfs/dbraw/zinc/77/09/06/562770906.db2.gz SURKRFGZUPRRDN-UHFFFAOYSA-N 2 0 543.737 6.398 1 0 KKAFRP CC[N@H+](CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095578444 562771249 /nfs/dbraw/zinc/77/12/49/562771249.db2.gz RKXNOCVEXXJMLH-UHFFFAOYSA-N 2 0 571.791 7.179 1 0 KKAFRP COc1ccc2c3c1OC1CC(O)C=CC31CC[N@@H+](CCCCCCCC[NH2+]C13CC4CC(C)(CC(C)(C4)C1)C3)C2 ZINC000095578583 562771308 /nfs/dbraw/zinc/77/13/08/562771308.db2.gz RKZVUTFVBNAVPV-RHKDRHLBSA-N 2 0 562.839 6.900 1 0 KKAFRP CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)ccc1OCCC[NH+](C)C ZINC000095584748 562773341 /nfs/dbraw/zinc/77/33/41/562773341.db2.gz WBMSTGPPVGCTKG-UHFFFAOYSA-N 2 0 561.723 5.666 1 0 KKAFRP Cc1c(CCO)sc[n+]1CCCCc1ccc(CCCC[n+]2csc(CCO)c2C)c2ccccc12 ZINC000095595505 562776741 /nfs/dbraw/zinc/77/67/41/562776741.db2.gz CKLKDOFRSUUNNX-UHFFFAOYSA-N 2 0 524.796 5.270 1 0 KKAFRP COc1c2occ(F)c2c(OC)c2c(=O)cc(CN3CCC(CCC4CCN(Cc5cc(=O)c6c(OC)c7c(F)coc7c(OC)c6o5)CC4)CC3)oc12 ZINC000095610942 562784690 /nfs/dbraw/zinc/78/46/90/562784690.db2.gz RLRNZZUXNRGLKY-UHFFFAOYSA-N 2 0 748.776 7.609 1 0 KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786231 /nfs/dbraw/zinc/78/62/31/562786231.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 2 0 755.381 7.680 1 0 in-vivo KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)c(Cl)c3)cc2)c1 ZINC000095891188 562790235 /nfs/dbraw/zinc/79/02/35/562790235.db2.gz RNGYMBJEYVNDBY-UHFFFAOYSA-P 2 0 649.151 5.964 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)c3)cc2)c1 ZINC000095891083 562790240 /nfs/dbraw/zinc/79/02/40/562790240.db2.gz MOYVNNPVGPESAP-UHFFFAOYSA-P 2 0 614.706 5.311 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)c(C)c3)cc2)c1 ZINC000095891057 562790244 /nfs/dbraw/zinc/79/02/44/562790244.db2.gz SGNLEZSFRAXUTG-UHFFFAOYSA-P 2 0 656.787 6.399 1 0 KKAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](C)c5)c5ccccc45)cc3)cc2)c1 ZINC000095891073 562790251 /nfs/dbraw/zinc/79/02/51/562790251.db2.gz PBXSCIWQWYEUHD-UHFFFAOYSA-P 2 0 636.712 5.498 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285563 562795841 /nfs/dbraw/zinc/79/58/41/562795841.db2.gz NHRHUIFWROFHGI-UHFFFAOYSA-N 2 0 616.806 7.166 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096903102 562797816 /nfs/dbraw/zinc/79/78/16/562797816.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 2 0 791.739 9.136 1 0 KKAFRP C[NH2+]C[C@@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)[NH2+]CC1(c2ccccc2)CC1 ZINC000096921305 562801393 /nfs/dbraw/zinc/80/13/93/562801393.db2.gz DVHHMOYDTREDMK-XDSPJLLDSA-N 2 0 527.756 6.646 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(NC(=O)c3ccccc3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922782 562801874 /nfs/dbraw/zinc/80/18/74/562801874.db2.gz HZVZWHAZEKRVEO-UHFFFAOYSA-N 4 0 641.813 5.183 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(-c3ccccc3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922777 562801897 /nfs/dbraw/zinc/80/18/97/562801897.db2.gz VIQVIAFKFRNZAX-UHFFFAOYSA-N 4 0 598.788 5.598 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000100043136 562806334 /nfs/dbraw/zinc/80/63/34/562806334.db2.gz GILJZYMGAGSBQJ-IQKFOVTFSA-N 2 0 566.743 5.912 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4C(F)(F)F)CC3)c2)C1C(=O)OC ZINC000100058515 562806533 /nfs/dbraw/zinc/80/65/33/562806533.db2.gz BSGDTKDVQLDCLE-NPAJZZOTSA-N 2 0 629.680 5.507 1 0 KKAFRP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+](Cc2ccco2)CC1 ZINC000101193460 562809804 /nfs/dbraw/zinc/80/98/04/562809804.db2.gz XPNIFODGUNFQET-WLNZHLEZSA-N 2 0 508.710 6.730 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101322991 562810326 /nfs/dbraw/zinc/81/03/26/562810326.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 2 0 510.744 6.321 1 0 KKAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCC[NH+]2CCCCC2)c1=O ZINC000101790446 562812124 /nfs/dbraw/zinc/81/21/24/562812124.db2.gz JREDAYCXSVWBIJ-OUOZDZGXSA-N 2 0 520.762 5.744 1 0 KKAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCCCCC[NH+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101805179 562812206 /nfs/dbraw/zinc/81/22/06/562812206.db2.gz XXJKBGJNJRKFOK-VZRBIBDDSA-N 2 0 623.886 7.304 1 0 KKAFRP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CCCC/C=C\CC2 ZINC000102229669 562812967 /nfs/dbraw/zinc/81/29/67/562812967.db2.gz FDTXAASVSUUWOT-GSXVTLMESA-N 2 0 550.791 7.151 1 0 KKAFRP CCCC(=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000103230572 562818184 /nfs/dbraw/zinc/81/81/84/562818184.db2.gz MRBSOQYNMBXVFG-UHFFFAOYSA-N 2 0 580.857 8.955 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240438 562819446 /nfs/dbraw/zinc/81/94/46/562819446.db2.gz BVLCELFVCZYGBZ-UMSFTDKQSA-N 2 0 587.772 5.183 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccc(F)cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240431 562819452 /nfs/dbraw/zinc/81/94/52/562819452.db2.gz UYJHSEVBDADVIO-PGUFJCEWSA-N 2 0 604.774 5.927 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240392 562819458 /nfs/dbraw/zinc/81/94/58/562819458.db2.gz ZSZLFTIBFWOBBQ-UMSFTDKQSA-N 2 0 587.772 5.183 1 0 KKAFRP COc1ccc(C[C@H]2COc3ccccc3C[N@@H+]2Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1 ZINC000103241362 562819586 /nfs/dbraw/zinc/81/95/86/562819586.db2.gz AJUOQHSLMWHGKL-LJAQVGFWSA-N 2 0 500.683 5.956 1 0 KKAFRP C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[NH2+]Cc3ccc4c(c3)Cc3ccccc3-4)ccc21 ZINC000103245954 562819777 /nfs/dbraw/zinc/81/97/77/562819777.db2.gz MZCMSTHMIBWKPT-UMSFTDKQSA-N 2 0 506.665 6.802 1 0 KKAFRP CC(C)(C)OC(=O)NCCC[N@H+](CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000118909734 562830828 /nfs/dbraw/zinc/83/08/28/562830828.db2.gz MKUMDZLGRUOSDR-UHFFFAOYSA-N 2 0 573.226 5.325 1 0 KKAFRP O[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885582 562831107 /nfs/dbraw/zinc/83/11/07/562831107.db2.gz XISVXJWNLOWHCO-BCRBLDSWSA-N 2 0 560.782 6.160 1 0 KKAFRP CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)[NH2+]CCNCCNCC[NH3+])cc1 ZINC000137485653 562831467 /nfs/dbraw/zinc/83/14/67/562831467.db2.gz MHWGYSANIMPWPV-UHFFFAOYSA-N 2 0 508.839 5.723 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000140458301 562833045 /nfs/dbraw/zinc/83/30/45/562833045.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 2 0 510.744 6.321 1 0 KKAFRP Clc1c2ccc(C3=[NH+]CCCN3)cc2[nH]c1-c1ccc(-c2[nH]c3cc(C4=[NH+]CCCN4)ccc3c2Cl)cc1 ZINC000143838116 562835307 /nfs/dbraw/zinc/83/53/07/562835307.db2.gz ZSWVTJWAIDPGML-UHFFFAOYSA-N 2 0 541.486 6.770 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000150351835 562843239 /nfs/dbraw/zinc/84/32/39/562843239.db2.gz CVSHABYVKZAERD-WNKBNXJDSA-N 2 0 678.918 8.086 1 0 KKAFRP COc1ccc2cc3[n+](cc2c1OCCOCCOCCOCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000150523029 562843546 /nfs/dbraw/zinc/84/35/46/562843546.db2.gz AUUQMSZUYMJPNZ-UHFFFAOYSA-N 2 0 802.877 5.996 1 0 KKAFRP COc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CC[NH+](CCCCCCC[NH+]2CCN(c3cc(NC(=O)c4cccc(Br)c4)ccc3OC)CC2)CC1 ZINC000150575202 562845276 /nfs/dbraw/zinc/84/52/76/562845276.db2.gz NDAWSAUTNGEJHD-UHFFFAOYSA-N 2 0 876.735 8.628 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599138 562847001 /nfs/dbraw/zinc/84/70/01/562847001.db2.gz QZSFQPHEUVUELH-LQJZCPKCSA-N 2 0 720.587 8.237 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(OC(=O)[C@@H](N)Cc3ccccc3)CC2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000164791939 562849702 /nfs/dbraw/zinc/84/97/02/562849702.db2.gz KFOMAXVKJYLIHN-RGUYMSHQSA-N 2 0 709.690 6.423 1 0 KKAFRP NC(=[NH2+])c1ccc(OCc2cc(COc3ccc(C(N)=[NH2+])cc3I)cc(COc3ccc(C(N)=[NH2+])cc3I)c2)c(I)c1 ZINC000169318691 562856094 /nfs/dbraw/zinc/85/60/94/562856094.db2.gz HRPSIRFRKQZGFE-UHFFFAOYSA-N 3 0 900.297 6.090 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000169318865 562856106 /nfs/dbraw/zinc/85/61/06/562856106.db2.gz XOWSSUSVVZAUSO-KKLWWLSJSA-N 2 0 717.786 6.115 1 0 KKAFRP Cc1ccc(NC(=O)OC2CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1 ZINC000169321655 562856716 /nfs/dbraw/zinc/85/67/16/562856716.db2.gz OJVPMYOYQFRHSC-BHVANESWSA-N 2 0 731.356 7.165 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCc2ccc(OCC[NH+]3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O ZINC000169323347 562857035 /nfs/dbraw/zinc/85/70/35/562857035.db2.gz ZMONBPURLAYZLL-BHVANESWSA-N 2 0 739.291 5.747 1 0 KKAFRP O=C(OCCC[NH+]1CCCCC1)c1ccc2c(c1)sc1ccc(C(=O)OCCC[NH+]3CCCCC3)cc12 ZINC000169328694 562858399 /nfs/dbraw/zinc/85/83/99/562858399.db2.gz HVQNYCCDMDWBDX-UHFFFAOYSA-N 2 0 522.711 6.120 1 0 KKAFRP CCCSc1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(SCCC)cc2)cc1 ZINC000169337241 562859967 /nfs/dbraw/zinc/85/99/67/562859967.db2.gz SAQWOUJQTDGCJC-UHFFFAOYSA-N 4 0 584.864 5.873 1 0 KKAFRP CCCCCSc1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(SCCCCC)cc2)cc1 ZINC000169337230 562859982 /nfs/dbraw/zinc/85/99/82/562859982.db2.gz UMUYBAVVESGQLE-UHFFFAOYSA-N 4 0 640.972 7.433 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000169369207 562864672 /nfs/dbraw/zinc/86/46/72/562864672.db2.gz RJMPZVNRFHISRQ-SAYXQKJXSA-N 2 0 564.862 8.377 1 0 KKAFRP F[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](F)CN7)cc6o5)cn4)[nH]c3c2)=[NH+]C1 ZINC000206954463 562876607 /nfs/dbraw/zinc/87/66/07/562876607.db2.gz JWTOOWJMTUJDRX-UHFFFAOYSA-N 2 0 510.548 5.019 1 0 KKAFRP CCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000299849071 562890416 /nfs/dbraw/zinc/89/04/16/562890416.db2.gz PFKHPVGEFNIPDS-UODIDJSMSA-N 3 0 543.841 6.431 1 0 KKAFRP CCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000299849070 562890430 /nfs/dbraw/zinc/89/04/30/562890430.db2.gz PFKHPVGEFNIPDS-TWJOJJKGSA-N 3 0 543.841 6.431 1 0 KKAFRP O=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=O)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000299854248 562891302 /nfs/dbraw/zinc/89/13/02/562891302.db2.gz WRZLHNOERLQPKX-UHFFFAOYSA-N 2 0 690.977 7.159 1 0 KKAFRP [NH3+]CCC[NH+](CCCC[N@@H+](CCC[NH3+])C1c2ccccc2CCc2ccccc21)C1c2ccccc2CCc2ccccc21 ZINC000299854579 562891393 /nfs/dbraw/zinc/89/13/93/562891393.db2.gz AJXJWZFPYVJZEU-UHFFFAOYSA-N 4 0 586.868 6.845 1 0 KKAFRP COc1c(C)c(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299855334 562891644 /nfs/dbraw/zinc/89/16/44/562891644.db2.gz AXDVKUKWTWDJJY-BHVANESWSA-N 2 0 719.839 6.495 1 0 KKAFRP O=c1cc(C(F)(F)F)c2ccc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299861179 562893190 /nfs/dbraw/zinc/89/31/90/562893190.db2.gz KSBYNLFEJIVFPB-UHFFFAOYSA-N 2 0 580.651 5.737 1 0 KKAFRP Cc1cc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299862051 562893486 /nfs/dbraw/zinc/89/34/86/562893486.db2.gz JCBCQBKLQMPNJD-BHVANESWSA-N 2 0 689.813 6.486 1 0 KKAFRP Cc1ccc(CN(C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CC[NH+](CC4CCCCCCC4)CC3)C2=O)C(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000299868404 562895083 /nfs/dbraw/zinc/89/50/83/562895083.db2.gz RHGVMMATHCBHBC-OIDHKYIRSA-N 2 0 649.896 5.308 1 0 KKAFRP COc1ccc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1CC[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299868685 562895169 /nfs/dbraw/zinc/89/51/69/562895169.db2.gz SDXOZIUOFTUROS-BHVANESWSA-N 2 0 719.839 6.229 1 0 KKAFRP CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299869700 562895366 /nfs/dbraw/zinc/89/53/66/562895366.db2.gz VFAQYCMSJSCDCB-PGUFJCEWSA-N 2 0 636.906 6.762 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4ccc5c(c4)Cc4cc(ccc4-5)CN2C=C1)c1ccccc13 ZINC000377364993 562895866 /nfs/dbraw/zinc/89/58/66/562895866.db2.gz XTPOJZQDRYWGAK-UHFFFAOYSA-N 2 0 616.853 10.038 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc(cc4)Cc4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377567244 562895918 /nfs/dbraw/zinc/89/59/18/562895918.db2.gz DRNSAMLCFLFWME-UHFFFAOYSA-N 2 0 672.876 10.228 1 0 KKAFRP Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc21 ZINC000377803803 562895959 /nfs/dbraw/zinc/89/59/59/562895959.db2.gz FYXAELWPGJBHPL-UHFFFAOYSA-N 2 0 538.824 9.333 1 0 KKAFRP CCn1ccccc1=[NH+]c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([NH+]=c4ccccn4CC)cc3)cc2)cc1 ZINC000377814125 562896054 /nfs/dbraw/zinc/89/60/54/562896054.db2.gz MLEVKZSIFCUDJY-UHFFFAOYSA-O 2 0 557.678 6.296 1 0 KKAFRP CCCn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CCC)cc5)cc4)cc3)cc2)cc1 ZINC000377819858 562896151 /nfs/dbraw/zinc/89/61/51/562896151.db2.gz WSDSWNWOXKIQDI-LQGKIZFRSA-O 2 0 637.808 7.875 1 0 KKAFRP FC(F)(F)c1ccc2c(c1)C1=[NH+]CCCCC[NH+]=C3C=CN(CCCCCN2C=C1)c1ccc(C(F)(F)F)cc13 ZINC000377848805 562896419 /nfs/dbraw/zinc/89/64/19/562896419.db2.gz ZDYYRJPXPNUUAW-UHFFFAOYSA-N 2 0 560.586 8.024 1 0 KKAFRP COc1ccc2c(c1)N1C=CC2=[NH+]Cc2ccc(cc2)C[NH+]=C2C=CN(Cc3cccc(c3)C1)c1cc(OC)ccc12 ZINC000377853464 562896504 /nfs/dbraw/zinc/89/65/04/562896504.db2.gz RQLUVVFSUBJAJR-UHFFFAOYSA-N 2 0 552.678 7.064 1 0 KKAFRP FC(F)(F)c1ccc2c(c1)N1C=CC2=[NH+]CCCCC[NH+]=C2C=CN(CCCCC1)c1cc(C(F)(F)F)ccc12 ZINC000377853466 562896520 /nfs/dbraw/zinc/89/65/20/562896520.db2.gz WVATZMCJOOKQSQ-UHFFFAOYSA-N 2 0 560.586 8.024 1 0 KKAFRP [NH3+]CCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000473107038 562898323 /nfs/dbraw/zinc/89/83/23/562898323.db2.gz ZYVSCKPGUXZYLJ-SZRGUQLDSA-N 2 0 628.857 8.299 1 0 KKAFRP CCCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152110 562901697 /nfs/dbraw/zinc/90/16/97/562901697.db2.gz GPJMBLDQDSVHNX-IRJFHVNHSA-N 2 0 514.497 6.851 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4ccccc4c(NCCCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000474607079 562905395 /nfs/dbraw/zinc/90/53/95/562905395.db2.gz IZRQAXRTZHGAMX-IHLOFXLRSA-N 2 0 586.868 9.146 1 0 KKAFRP CC(C)[NH+]1CCN(CC[NH2+]C2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1 ZINC000618010480 562905870 /nfs/dbraw/zinc/90/58/70/562905870.db2.gz YBERXGMJTATPRG-UHFFFAOYSA-N 2 0 529.651 5.318 1 0 KKAFRP CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc[nH+]c(NC)c4)cc3)cc2C(F)(F)F)CC1 ZINC000653867802 562916294 /nfs/dbraw/zinc/91/62/94/562916294.db2.gz UKTICNMOUVEYRR-UHFFFAOYSA-N 2 0 527.591 5.253 1 0 KKAFRP O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916447 /nfs/dbraw/zinc/91/64/47/562916447.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 2 0 517.636 5.390 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N@H+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[NH+]2C)OCO4)cc1 ZINC000085493078 565127900 /nfs/dbraw/zinc/12/79/00/565127900.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 2 0 682.814 6.794 1 0 biogenic,in-vitro KKAFRP CC[NH2+]COc1cc(OC)c2c3c1[C@@H](C[NH2+]C)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567528 565142767 /nfs/dbraw/zinc/14/27/67/565142767.db2.gz BICFDMRGINCPJM-RIDNUJAISA-N 2 0 631.770 5.338 1 0 biogenic,in-vitro KKAFRP c1ccc2c(c1)[nH]c1c[n+](CCCCCCCCCCCC[n+]3ccc4c(c3)[nH]c3ccccc34)ccc12 ZINC000049068276 581091219 /nfs/dbraw/zinc/09/12/19/581091219.db2.gz VCJGRMVHAYBWRI-UHFFFAOYSA-P 2 0 504.722 8.132 1 0 KKAFRP Cc1ccc(-c2cccc3c(NC(=O)Nc4ccc5[nH+]ccc(N6CC[NH+](C)CC6)c5c4)cccc23)cn1 ZINC000001490029 561676242 /nfs/dbraw/zinc/67/62/42/561676242.db2.gz ORTGNQGEQSBVFU-UHFFFAOYSA-N 2 0 502.622 6.154 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000003870909 561684240 /nfs/dbraw/zinc/68/42/40/561684240.db2.gz MBVYSLWWSSHIRS-UHFFFAOYSA-N 2 0 526.746 7.108 1 0 in-vitro KKAFRP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000005741900 561698024 /nfs/dbraw/zinc/69/80/24/561698024.db2.gz AMSNINGPDSUBHZ-JQFAMBKLSA-N 2 0 564.774 6.561 1 0 in-vivo KKAFRP NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC000006716800 561702941 /nfs/dbraw/zinc/70/29/41/561702941.db2.gz SKQQIRNICDPYHD-HKFHRXRESA-N 2 0 624.826 5.381 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)nc1)C(=O)/C=C/c1ccccc1 ZINC000006717698 561703057 /nfs/dbraw/zinc/70/30/57/561703057.db2.gz CAHJBZZIWHFJHP-CAPFRKAQSA-N 2 0 518.705 5.685 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000006717694 561703086 /nfs/dbraw/zinc/70/30/86/561703086.db2.gz YVIKFKHFIYLCCN-UMSFTDKQSA-N 2 0 523.765 6.737 1 0 KKAFRP COc1ccc2cc(C[NH2+]CCCCCCCCCCCC[NH2+]Cc3ccc4cc(OC)ccc4c3)ccc2c1 ZINC000006007050 561701554 /nfs/dbraw/zinc/70/15/54/561701554.db2.gz ZNDGZRDNIFCTTD-UHFFFAOYSA-N 2 0 540.792 8.791 1 0 KKAFRP C[NH+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013492739 561716402 /nfs/dbraw/zinc/71/64/02/561716402.db2.gz DYTNXFSVOOZIHV-UHFFFAOYSA-N 3 0 507.726 6.777 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@@H]3CCC[NH2+]C3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780316 561729017 /nfs/dbraw/zinc/72/90/17/561729017.db2.gz KWGDURXIKWPRNZ-RPWUZVMVSA-N 2 0 525.137 6.207 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@H]3CCC[NH2+]C3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780315 561729030 /nfs/dbraw/zinc/72/90/30/561729030.db2.gz KWGDURXIKWPRNZ-BJKOFHAPSA-N 2 0 525.137 6.207 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC3CC[NH2+]CC3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780318 561729059 /nfs/dbraw/zinc/72/90/59/561729059.db2.gz JLWLQSJTQMABLN-QHCPKHFHSA-N 2 0 511.110 5.817 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000013802264 561730748 /nfs/dbraw/zinc/73/07/48/561730748.db2.gz YXSIJTCCPXNLJX-LJAQVGFWSA-N 2 0 509.641 6.237 1 0 KKAFRP NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](CCCCCCCCC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 ZINC000014192100 561737553 /nfs/dbraw/zinc/73/75/53/561737553.db2.gz SKQQIRNICDPYHD-KAODMTDESA-N 2 0 624.826 5.381 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014294860 561739497 /nfs/dbraw/zinc/73/94/97/561739497.db2.gz UJELWGXJMXZTIC-GDLZYMKVSA-N 2 0 567.677 5.564 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](C[NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000014946314 561743461 /nfs/dbraw/zinc/74/34/61/561743461.db2.gz LSAKEKKNQBBHNE-QHCPKHFHSA-N 2 0 515.698 6.138 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@]2(C)[NH2+]Cc3ccccc32)CC1 ZINC000022452807 561759454 /nfs/dbraw/zinc/75/94/54/561759454.db2.gz XEJWRNRUPWQYOB-CQXVEOKZSA-N 2 0 634.240 5.142 1 0 KKAFRP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2ccc(NC(=O)C(=O)Nc3ccc4[nH+]ccc(N[C@@H](C)CCC[NH+](CC)CC)c4c3)cc12 ZINC000026160528 561768584 /nfs/dbraw/zinc/76/85/84/561768584.db2.gz BJAHSSRTDMJHKT-NSOVKSMOSA-N 4 0 654.904 7.205 1 0 KKAFRP c1ccc2c(c1)[nH]c(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026393646 561786226 /nfs/dbraw/zinc/78/62/26/561786226.db2.gz CQEHKUVFEHVXHC-UHFFFAOYSA-N 2 0 509.694 6.375 1 0 KKAFRP NC(=O)C[NH2+][C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026397234 561787258 /nfs/dbraw/zinc/78/72/58/561787258.db2.gz OXQZXDGLSIMETJ-GGXMVOPNSA-N 2 0 706.555 7.149 1 0 KKAFRP c1ccc2c(c1)nc(-c1ccc(OCC[NH+]3CCCC3)cc1)n2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026399385 561787887 /nfs/dbraw/zinc/78/78/87/561787887.db2.gz ACXIWVRKBGHPGT-UHFFFAOYSA-N 2 0 510.682 5.701 1 0 KKAFRP Brc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026505996 561796553 /nfs/dbraw/zinc/79/65/53/561796553.db2.gz YILHZESDKGFLKJ-UHFFFAOYSA-N 2 0 605.642 7.871 1 0 KKAFRP CCCCc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026569342 561797779 /nfs/dbraw/zinc/79/77/79/561797779.db2.gz RBFYMHIHRIKWQP-UHFFFAOYSA-N 2 0 582.854 8.451 1 0 KKAFRP CC(=O)Nc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026571610 561798213 /nfs/dbraw/zinc/79/82/13/561798213.db2.gz LAZYYBBUJRISJQ-UHFFFAOYSA-N 2 0 583.798 7.067 1 0 KKAFRP C[N@@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026579413 561804630 /nfs/dbraw/zinc/80/46/30/561804630.db2.gz VAYCSJFLMOOEMT-BWXVZPLGSA-N 2 0 541.588 6.754 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744362 561818517 /nfs/dbraw/zinc/81/85/17/561818517.db2.gz DFYRHGJYRCVNFA-UTDZTPKCSA-N 2 0 525.649 6.062 1 0 KKAFRP O[C@H](C[NH2+]CCCCCC[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000027089620 561837101 /nfs/dbraw/zinc/83/71/01/561837101.db2.gz BURGJUYFBCVNFV-LXANVCGNSA-N 2 0 594.718 7.548 1 0 KKAFRP C(=C/c1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)\C[NH+]1CCCC1 ZINC000027184745 561842481 /nfs/dbraw/zinc/84/24/81/561842481.db2.gz AVIGKYPXNRJZJA-BQYQJAHWSA-N 2 0 522.758 7.743 1 0 KKAFRP CC[C@@H](C[NH+]1CCCC1)Oc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027194440 561844058 /nfs/dbraw/zinc/84/40/58/561844058.db2.gz CWZYASBSRAWCRE-LJAQVGFWSA-N 2 0 554.800 7.887 1 0 KKAFRP O=C(CN1CCC([NH+]2CCCCC2)CC1)c1c2ccccc2n(CCC2CC[NH2+]CC2)c1COc1ccc(Cl)cc1 ZINC000027207677 561846198 /nfs/dbraw/zinc/84/61/98/561846198.db2.gz LALYZNGWBRRKHG-UHFFFAOYSA-N 2 0 577.213 6.396 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000027298343 561848673 /nfs/dbraw/zinc/84/86/73/561848673.db2.gz PQRZSPMLPNRTTB-ONLUTYIHSA-N 2 0 589.737 5.140 1 0 KKAFRP C[N@H+](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441943 561860867 /nfs/dbraw/zinc/86/08/67/561860867.db2.gz MQKHVKMWIBXXJD-HHHXNRCGSA-N 2 0 541.624 6.890 1 0 KKAFRP C[NH2+]Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027526489 561866246 /nfs/dbraw/zinc/86/62/46/561866246.db2.gz JJEHGYRVABHKHF-UHFFFAOYSA-N 2 0 516.549 5.531 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526618 561866395 /nfs/dbraw/zinc/86/63/95/561866395.db2.gz HXUMKMQRTFHLCC-GDLZYMKVSA-N 2 0 577.638 7.256 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547674 561867165 /nfs/dbraw/zinc/86/71/65/561867165.db2.gz WMJYLKOESTVKAR-SSEXGKCCSA-N 2 0 539.667 6.245 1 0 KKAFRP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1[NH2+]CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027635644 561874385 /nfs/dbraw/zinc/87/43/85/561874385.db2.gz KWYPWVKRUAHLRV-HKBQPEDESA-N 2 0 593.216 5.607 1 0 KKAFRP c1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCCC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000027731967 561881286 /nfs/dbraw/zinc/88/12/86/561881286.db2.gz TUEVSEPDWDLQOW-UHFFFAOYSA-N 2 0 586.865 7.943 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1O[C@@H]1CCCC[C@H]1[NH+]1CCCCC1 ZINC000027849427 561885875 /nfs/dbraw/zinc/88/58/75/561885875.db2.gz NJSPPBCQGYQNLE-VSJLXWSYSA-N 2 0 640.890 8.524 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000027869492 561888087 /nfs/dbraw/zinc/88/80/87/561888087.db2.gz YMVURUGHJLOSLZ-VSJLXWSYSA-N 2 0 596.837 8.125 1 0 KKAFRP COc1ccc2sc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(Cc3ccc(C[NH+]4CCCC4)c(OC)c3)c2c1 ZINC000028221808 561907419 /nfs/dbraw/zinc/90/74/19/561907419.db2.gz QTZQLGKPKOZETA-UHFFFAOYSA-N 2 0 556.772 7.247 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256390 561911525 /nfs/dbraw/zinc/91/15/25/561911525.db2.gz QXXXZTFUFKESQI-RNPORBBMSA-N 2 0 620.842 6.939 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028255833 561911528 /nfs/dbraw/zinc/91/15/28/561911528.db2.gz WJEYQCJEIFEUFW-MEKGRNQZSA-N 2 0 648.896 7.719 1 0 KKAFRP [NH3+]C1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 ZINC000028361151 561916888 /nfs/dbraw/zinc/91/68/88/561916888.db2.gz KWPCKPAAXWLVFU-HHHXNRCGSA-N 2 0 557.557 5.177 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028384423 561920771 /nfs/dbraw/zinc/92/07/71/561920771.db2.gz UEYNPXHRIVDTQZ-PSXMRANNSA-N 2 0 659.787 5.586 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4I)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028455287 561923406 /nfs/dbraw/zinc/92/34/06/561923406.db2.gz MCXZGWCFYZYQIW-JGCGQSQUSA-N 2 0 735.623 5.037 1 0 KKAFRP COc1cc(C(=[NH2+])Nc2ccc(Oc3ccc(NC(=[NH2+])c4ccc(OCc5ccccc5)c(OC)c4)cc3)cc2)ccc1OCc1ccccc1 ZINC000028468678 561926606 /nfs/dbraw/zinc/92/66/06/561926606.db2.gz NCDPZFKEWYDZEU-UHFFFAOYSA-N 2 0 678.789 9.529 1 0 KKAFRP O=C([C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CC1CC1)N1CCN(c2ccccc2C[NH2+]CCc2cccs2)CC1 ZINC000028477752 561928733 /nfs/dbraw/zinc/92/87/33/561928733.db2.gz XGKQOTPVQKBYDY-MUUNZHRXSA-N 2 0 571.618 5.647 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646301 561945163 /nfs/dbraw/zinc/94/51/63/561945163.db2.gz CZGZZLUJVRZYFA-MGBGTMOVSA-N 2 0 514.733 5.420 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646115 561944799 /nfs/dbraw/zinc/94/47/99/561944799.db2.gz ZPBDIJQSZTYFIY-XIFFEERXSA-N 2 0 516.749 5.688 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(-c3ccccc3)cc2)CC1 ZINC000028646243 561944958 /nfs/dbraw/zinc/94/49/58/561944958.db2.gz FBNHMHGIMMCLHO-DIPNUNPCSA-N 2 0 546.803 6.436 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646231 561944978 /nfs/dbraw/zinc/94/49/78/561944978.db2.gz IHHDHTXBALMXOF-WJOKGBTCSA-N 2 0 538.702 5.788 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000028646295 561944983 /nfs/dbraw/zinc/94/49/83/561944983.db2.gz MJMYQNMAQLMPKB-XIFFEERXSA-N 2 0 560.802 6.085 1 0 KKAFRP c1ccc2c(NCCCOc3cccc(OCCCNc4cc[nH+]c5ccccc45)c3OCCCNc3cc[nH+]c4ccccc34)cc[nH+]c2c1 ZINC000028650153 561945933 /nfs/dbraw/zinc/94/59/33/561945933.db2.gz HPGPNUVLTNJVMQ-UHFFFAOYSA-N 3 0 678.837 8.974 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCCNc1ccc(-c2ccc(NCCCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713731 561954225 /nfs/dbraw/zinc/95/42/25/561954225.db2.gz KSMVVZOTRWJCRY-UHFFFAOYSA-N 2 0 622.898 8.895 1 0 KKAFRP NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[N@H+](CCCCCC[NH3+])CCc1ccc(Cl)cc1Cl ZINC000028824976 561970203 /nfs/dbraw/zinc/97/02/03/561970203.db2.gz UXALQPRPQYILAB-UHFFFAOYSA-N 2 0 576.396 5.220 1 0 KKAFRP Cc1ccccc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(CCc3ccccc3Cl)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000028823657 561968342 /nfs/dbraw/zinc/96/83/42/561968342.db2.gz PHVXTQIROLEEDB-FQLXRVMXSA-N 2 0 516.129 6.075 1 0 in-vitro KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C3CCCCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824185 561969294 /nfs/dbraw/zinc/96/92/94/561969294.db2.gz DAFPNLVODHMZSU-GKRYNVPLSA-N 2 0 541.155 5.832 1 0 KKAFRP C[N@@H+]1CCC[C@H]1CCNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889994 561978139 /nfs/dbraw/zinc/97/81/39/561978139.db2.gz GTXLIDBURRGFMW-YGZVCBRSSA-N 2 0 563.117 6.402 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4cc5ccccc5n4C)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953840 561982665 /nfs/dbraw/zinc/98/26/65/561982665.db2.gz YIHYBZGNGPYTJH-ZWXJPIIXSA-N 2 0 590.256 5.892 1 0 KKAFRP COc1cccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c1 ZINC000028953973 561982787 /nfs/dbraw/zinc/98/27/87/561982787.db2.gz FRVHFPVHFOCZKS-JSOSNVBQSA-N 2 0 567.218 5.409 1 0 KKAFRP C[NH2+]CC(=O)N[C@@H](CC(C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960112 561983917 /nfs/dbraw/zinc/98/39/17/561983917.db2.gz CQGIRLQWAZCVCA-NHKHRBQYSA-N 2 0 636.203 5.554 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4ccccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000028968642 561985658 /nfs/dbraw/zinc/98/56/58/561985658.db2.gz SABUJGVTKCQDIW-IZLXSDGUSA-N 2 0 558.814 9.522 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029040997 561990843 /nfs/dbraw/zinc/99/08/43/561990843.db2.gz XMJCAKYPNFXGTG-PBXXJUDPSA-N 2 0 523.936 5.487 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029040995 561990901 /nfs/dbraw/zinc/99/09/01/561990901.db2.gz XMJCAKYPNFXGTG-JHMXWDHMSA-N 2 0 523.936 5.487 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[NH+]6CC[C@H]4[C@@]4(C[C@H]7CC[C@H](O)CCC[N@H+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042061 561991382 /nfs/dbraw/zinc/99/13/82/561991382.db2.gz FWKMZPGKUSOYOX-GSHZZBMGSA-N 2 0 582.789 5.756 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(F)c(Cl)c2)CC1 ZINC000029130271 562002354 /nfs/dbraw/zinc/00/23/54/562002354.db2.gz KMWZPGLREBIDRH-HEHLMWRFSA-N 2 0 618.213 5.156 1 0 KKAFRP CCCCCC[NH+]=c1ccn(CCCCCCCCCCCCn2ccc(=[NH+]CCCCCC)cc2)cc1 ZINC000029233238 562009415 /nfs/dbraw/zinc/00/94/15/562009415.db2.gz FNRIQJONZJAHSC-UHFFFAOYSA-N 2 0 522.866 8.853 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029343754 562015857 /nfs/dbraw/zinc/01/58/57/562015857.db2.gz RNZDANXNAQIPPL-VKONIRKNSA-N 2 0 601.663 5.947 1 0 KKAFRP Clc1ccc2c(c1)nccc2N1CCC[NH2+]CCN(c2ccnc3cc(Cl)ccc32)CCC[NH2+]CC1 ZINC000029401707 562019834 /nfs/dbraw/zinc/01/98/34/562019834.db2.gz BMCBCIKZJCWYCR-UHFFFAOYSA-N 2 0 523.512 5.376 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@H+](C)CC1CCCCC1 ZINC000029475074 562026331 /nfs/dbraw/zinc/02/63/31/562026331.db2.gz DOMCOHRWZKLEBX-PXLJZGITSA-N 2 0 604.880 5.822 1 0 KKAFRP C[NH+](C)CCCN1CN(c2ccccc2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029481885 562027506 /nfs/dbraw/zinc/02/75/06/562027506.db2.gz BUSVCJSRSLMEGA-UHFFFAOYSA-N 2 0 561.721 5.586 1 0 KKAFRP CCN(CC)C(=S)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485593 562028194 /nfs/dbraw/zinc/02/81/94/562028194.db2.gz IGTFZSOMLHHHPK-CLJLJLNGSA-N 2 0 502.838 5.449 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CCCCC1 ZINC000029488873 562028969 /nfs/dbraw/zinc/02/89/69/562028969.db2.gz RXTZXUIANKJKCT-YDAXCOIMSA-N 2 0 652.924 6.753 1 0 KKAFRP CCCCCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551885 562031153 /nfs/dbraw/zinc/03/11/53/562031153.db2.gz VASSRGYVSNRJNX-ROJLCIKYSA-N 2 0 554.864 6.188 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553212 562031614 /nfs/dbraw/zinc/03/16/14/562031614.db2.gz GGBHBMIRPAMULK-ROJLCIKYSA-N 2 0 574.854 6.131 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000029553214 562031625 /nfs/dbraw/zinc/03/16/25/562031625.db2.gz GGBHBMIRPAMULK-MEKGRNQZSA-N 2 0 574.854 6.131 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[NH+]2CCCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184587 562050294 /nfs/dbraw/zinc/05/02/94/562050294.db2.gz FFQBAPRTDPSSEL-HVHHDALESA-N 2 0 575.556 5.485 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000036284721 562053351 /nfs/dbraw/zinc/05/33/51/562053351.db2.gz NSFFFSYEDFVOOT-GMTSZFNJSA-N 2 0 634.240 5.011 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000038139356 562062632 /nfs/dbraw/zinc/06/26/32/562062632.db2.gz JEKDOWMTUCHNIR-XZWHSSHBSA-N 2 0 608.735 6.859 3 0 aggregator,in-vitro KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000038147276 562065486 /nfs/dbraw/zinc/06/54/86/562065486.db2.gz JEKDOWMTUCHNIR-LOYHVIPDSA-N 2 0 608.735 6.859 1 0 aggregator KKAFRP C[N@H+](CCCC12CCC(c3ccccc31)c1ccccc12)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040860839 562080684 /nfs/dbraw/zinc/08/06/84/562080684.db2.gz AQQFXOLTZFTABW-UHFFFAOYSA-N 2 0 508.750 7.379 1 0 KKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040897458 562083124 /nfs/dbraw/zinc/08/31/24/562083124.db2.gz CVJNNFLIBIKNFR-LJAQVGFWSA-N 2 0 500.731 5.472 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCc2cccc(CCNc3c4ccccc4[nH+]c4c3CCCC4)n2)CCCC1 ZINC000040951480 562086019 /nfs/dbraw/zinc/08/60/19/562086019.db2.gz HVCRYLOYMWRHDE-UHFFFAOYSA-N 2 0 527.716 7.245 1 0 KKAFRP Cc1c(C[NH2+]CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040952566 562086340 /nfs/dbraw/zinc/08/63/40/562086340.db2.gz YLTFPNHAWXRRBI-VVFBEHOQSA-N 2 0 528.144 7.285 1 0 KKAFRP C[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000042803376 562088193 /nfs/dbraw/zinc/08/81/93/562088193.db2.gz DBNJNPPSWNADBP-UHFFFAOYSA-N 2 0 637.796 5.253 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc([C@@H]4C[C@H]4c4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000042805262 562089050 /nfs/dbraw/zinc/08/90/50/562089050.db2.gz VTVNTEIEPCGUGM-VMPREFPWSA-N 2 0 594.767 7.691 1 0 KKAFRP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC[NH2+]1 ZINC000042806495 562089761 /nfs/dbraw/zinc/08/97/61/562089761.db2.gz WAEIYUXLBCHFAM-RUZDIDTESA-N 2 0 622.781 5.717 1 0 KKAFRP C/C(=C\C(=O)O[C@@H]1C[C@@H]2[C@@H](C[N@H+](C)C[C@@H]2C)[C@@H]1C)CC/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@@H](C[NH+](C)C[C@@H]2C)[C@@H]1C ZINC000095912329 560057272 /nfs/dbraw/zinc/05/72/72/560057272.db2.gz SNACZJFGFSJVFX-OYERZMFVSA-N 2 0 528.778 5.190 1 0 biogenic,in-vitro KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH2+]CC2)[N@H+](C)CC4 ZINC000085834880 560066725 /nfs/dbraw/zinc/06/67/25/560066725.db2.gz FFMSDFHGOKKUKH-IZLXSDGUSA-N 2 0 594.708 6.517 1 0 biogenic,in-vitro KKAFRP C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCC[C@H](O)CCc3ccccc3)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547425 560072394 /nfs/dbraw/zinc/07/23/94/560072394.db2.gz HBCBJJDCXQWKJR-JSZSNDOQSA-N 2 0 578.882 5.605 1 0 biogenic,in-vitro KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@@H](O)[C@@]3(C[C@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000085531073 560073230 /nfs/dbraw/zinc/07/32/30/560073230.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 2 0 526.743 5.943 1 0 biogenic,in-vitro KKAFRP COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CCCCCCCC[N@H+](C)CCc2c[nH]c3ccccc23)CC1 ZINC000043024852 562645066 /nfs/dbraw/zinc/64/50/66/562645066.db2.gz AEPMXCLJHNXORS-UHFFFAOYSA-N 2 0 568.206 6.121 1 0 KKAFRP C[NH+](C)CCCNC(=O)c1cc(C(C)(C)C)cc2c1Oc1c(C(=O)NCCC[NH+](C)C)cc(C(C)(C)C)cc1C2(C)C ZINC000043649621 562650626 /nfs/dbraw/zinc/65/06/26/562650626.db2.gz WPHDTQFGBNKMBM-UHFFFAOYSA-N 2 0 578.842 6.076 1 0 KKAFRP COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)[NH+](C)CC2 ZINC000044306527 562653752 /nfs/dbraw/zinc/65/37/52/562653752.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 2 0 624.778 6.762 1 0 KKAFRP CCCCNC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NCCCC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044306463 562653779 /nfs/dbraw/zinc/65/37/79/562653779.db2.gz NDXCDBBFIUYZEU-UHFFFAOYSA-N 2 0 610.810 7.989 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Sc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044351220 562654520 /nfs/dbraw/zinc/65/45/20/562654520.db2.gz IEWATRKWOXRHDO-UHFFFAOYSA-N 2 0 586.769 7.571 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044351769 562654870 /nfs/dbraw/zinc/65/48/70/562654870.db2.gz WJSNUVNOLBWTPN-ZPEQAWDESA-N 2 0 588.833 7.016 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3csc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)c3)nc2c1 ZINC000044387357 562656112 /nfs/dbraw/zinc/65/61/12/562656112.db2.gz FUPVQDFNQMVGFA-UHFFFAOYSA-N 2 0 588.785 7.267 1 0 KKAFRP C[C@H](Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201726 562659041 /nfs/dbraw/zinc/65/90/41/562659041.db2.gz UPJUYKHBVUUAHI-BTYSJIOQSA-N 2 0 511.632 5.277 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c(C(=O)NCC2CCCCC2)c1 ZINC000045228244 562659402 /nfs/dbraw/zinc/65/94/02/562659402.db2.gz ZGYCKXWIXDHTSP-MGBGTMOVSA-N 2 0 537.792 7.541 1 0 KKAFRP CC1(C)Cc2c3ccccc3[nH]c2C(CCCCCCCCC2=[NH+]C(C)(C)Cc3c4ccccc4[nH]c32)=[NH+]1 ZINC000045324866 562661191 /nfs/dbraw/zinc/66/11/91/562661191.db2.gz ADZOVURIRJCTJE-UHFFFAOYSA-N 2 0 506.738 8.718 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045337539 562661419 /nfs/dbraw/zinc/66/14/19/562661419.db2.gz WEMBLLYMFYXKGZ-RUZDIDTESA-N 2 0 526.124 6.688 1 0 KKAFRP [NH3+]CCCCCCCC(=O)Nc1ccc(OCCCC[NH3+])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000045351659 562661794 /nfs/dbraw/zinc/66/17/94/562661794.db2.gz RNXQKLHUUILCIG-UHFFFAOYSA-N 2 0 532.685 6.087 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000048307297 562662859 /nfs/dbraw/zinc/66/28/59/562662859.db2.gz WSGPYYOEACVISQ-UHFFFAOYSA-N 2 0 637.681 7.078 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1ccc(-c2cccc(C[NH2+]C3CCCC3)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605292 562665660 /nfs/dbraw/zinc/66/56/60/562665660.db2.gz PMVDUBDMUQPIFB-UHFFFAOYSA-N 2 0 578.845 7.895 1 0 KKAFRP C[C@H](CNC(=[NH2+])c1cccc(C(=[NH2+])NC[C@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000049605462 562665887 /nfs/dbraw/zinc/66/58/87/562665887.db2.gz ZDBRQEJTXFFMQB-MKPDMIMOSA-N 2 0 595.832 7.942 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(C(=O)NCCc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000049605707 562666188 /nfs/dbraw/zinc/66/61/88/562666188.db2.gz UIWZXIRRZRUEMR-UHFFFAOYSA-N 2 0 588.840 7.518 1 0 KKAFRP O=C([C@@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH2+]CC1 ZINC000049614051 562666519 /nfs/dbraw/zinc/66/65/19/562666519.db2.gz HQGVZEYQUVZHFL-MPQUPPDSSA-N 2 0 543.755 6.570 1 0 KKAFRP CCCCNC(=O)c1cc(C[NH2+]C2CCCCC2)ccc1-c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000049625934 562666943 /nfs/dbraw/zinc/66/69/43/562666943.db2.gz QYCMPHQWCIVMDY-UHFFFAOYSA-N 2 0 559.798 8.263 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)[NH+]4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626056 562667001 /nfs/dbraw/zinc/66/70/01/562667001.db2.gz QYTSWYPEPUQVCC-ZGAWMTGXSA-N 2 0 632.805 6.300 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)[NH+]4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626062 562667027 /nfs/dbraw/zinc/66/70/27/562667027.db2.gz QYTSWYPEPUQVCC-LFGICVIVSA-N 2 0 632.805 6.300 1 0 KKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667076 /nfs/dbraw/zinc/66/70/76/562667076.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 2 0 547.669 6.375 1 0 KKAFRP CCCCSc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(SCCCC)c3ccccc23)c2ccccc12 ZINC000049639259 562667744 /nfs/dbraw/zinc/66/77/44/562667744.db2.gz OLEBKUVJZGQGFW-UHFFFAOYSA-N 2 0 572.928 10.217 1 0 KKAFRP CC[NH+]1CCN(c2nc3cc(C)ccc3c(NCc3ccc(NC(=O)C4CC[NH+](Cc5ccccc5)CC4)cc3)n2)CC1 ZINC000049694529 562669443 /nfs/dbraw/zinc/66/94/43/562669443.db2.gz ROCQMJAHJBLYBH-UHFFFAOYSA-N 2 0 577.777 5.543 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000049710267 562671573 /nfs/dbraw/zinc/67/15/73/562671573.db2.gz HEKNIUBVYWUXQP-DHUJRADRSA-N 2 0 572.813 6.229 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(C(=O)c3cccs3)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000049710582 562671731 /nfs/dbraw/zinc/67/17/31/562671731.db2.gz COYVGRWFCZTXQZ-UHFFFAOYSA-N 2 0 551.800 7.468 1 0 KKAFRP COC(=O)c1cc2c3ccccc3[nH]c2c(C2=C[C@@]3(O)CC/C=C\CCCC[N@@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)n1 ZINC000049722673 562672357 /nfs/dbraw/zinc/67/23/57/562672357.db2.gz MHHCPGADKGCAIP-WPCWUHTLSA-N 2 0 606.811 6.642 1 0 KKAFRP COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000049722721 562672445 /nfs/dbraw/zinc/67/24/45/562672445.db2.gz BQIVPPWUXSHORF-NIENTGTKSA-N 2 0 610.843 5.579 1 0 KKAFRP COc1c(C2CC[NH+](CCCCNC(=O)c3ccc(-c4ccc(Cl)cc4)c(OCC[NH+](C)C)c3)CC2)ccc2c1CCCC2 ZINC000049745928 562674147 /nfs/dbraw/zinc/67/41/47/562674147.db2.gz FJEBHPNXULERFX-UHFFFAOYSA-N 2 0 618.262 7.224 1 0 KKAFRP CCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049757504 562676052 /nfs/dbraw/zinc/67/60/52/562676052.db2.gz OKXSCHLNSYXZHD-VNYQLODASA-N 2 0 619.854 7.204 1 0 KKAFRP O=C(Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21)C1CCCCC1 ZINC000049761879 562676173 /nfs/dbraw/zinc/67/61/73/562676173.db2.gz HBBDIHDYZMNJML-YDQLZLBPSA-N 2 0 673.946 8.375 1 0 KKAFRP CCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771664 562678299 /nfs/dbraw/zinc/67/82/99/562678299.db2.gz VSTOGDNFPWAFAX-XDIGAPRSSA-N 2 0 647.908 7.985 1 0 KKAFRP S=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000049777363 562679963 /nfs/dbraw/zinc/67/99/63/562679963.db2.gz USQQTBMBRTXUNT-UHFFFAOYSA-N 2 0 723.113 7.489 1 0 KKAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)NC(=O)N(c1ccccc1)c1ccccc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000049777658 562680376 /nfs/dbraw/zinc/68/03/76/562680376.db2.gz NTILUBODLCXBSZ-UHFFFAOYSA-N 2 0 677.850 5.641 1 0 KKAFRP CC(C)(C)C1CC[NH+](CCSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049777894 562680659 /nfs/dbraw/zinc/68/06/59/562680659.db2.gz MHUIQLDJBVJGLV-UHFFFAOYSA-N 2 0 753.014 6.214 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[N@@H+]4CC[C@@H]5CCCC[C@@H]5C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777895 562680662 /nfs/dbraw/zinc/68/06/62/562680662.db2.gz YDBRDSDKSOYGNU-LMSSTIIKSA-N 2 0 750.998 5.968 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@@](C[NH2+]CC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780644 562682021 /nfs/dbraw/zinc/68/20/21/562682021.db2.gz PMHUNWICIAERSX-BHVANESWSA-N 3 0 595.869 6.246 1 0 KKAFRP CC1CC[NH+](CCSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049793102 562684586 /nfs/dbraw/zinc/68/45/86/562684586.db2.gz UYBBAEBLFCGVOT-UHFFFAOYSA-N 2 0 710.933 5.188 1 0 KKAFRP Fc1cccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793512 562684904 /nfs/dbraw/zinc/68/49/04/562684904.db2.gz GNBNJHANHQQZGE-XQGRUXGKSA-N 3 0 673.965 6.189 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000049793891 562685305 /nfs/dbraw/zinc/68/53/05/562685305.db2.gz OCUVBNBZPYQEBS-ZQWQDMLBSA-N 3 0 722.809 7.227 1 0 KKAFRP Brc1cccc(CCC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802592 562685848 /nfs/dbraw/zinc/68/58/48/562685848.db2.gz ITVPHDKXOSLPJK-HRBFTXTFSA-N 3 0 748.898 7.203 1 0 KKAFRP c1n2c3ccccc3[n+]1Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1C[n+]1cn(c3ccccc31)Cc1cccc(c1)C2 ZINC000049898721 562692765 /nfs/dbraw/zinc/69/27/65/562692765.db2.gz OYSNOUGMQBQWCP-UHFFFAOYSA-N 2 0 728.856 9.359 1 0 KKAFRP [NH3+]CCc1c2cc(O)c([C@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902773 562693381 /nfs/dbraw/zinc/69/33/81/562693381.db2.gz CYAJKOUHPRYFRD-GOTSBHOMSA-N 3 0 650.419 6.044 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917690 562693740 /nfs/dbraw/zinc/69/37/40/562693740.db2.gz XNFRIFXOZLCDAJ-UHFFFAOYSA-N 2 0 636.884 8.105 1 0 KKAFRP C[C@@H](Cc1ccc(CN(CC(N)=O)Cc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917815 562693957 /nfs/dbraw/zinc/69/39/57/562693957.db2.gz XFAQNBFQMXDPNG-VMPREFPWSA-N 2 0 645.719 7.008 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049917976 562694281 /nfs/dbraw/zinc/69/42/81/562694281.db2.gz DFTHZVATPKLMOR-UHFFFAOYSA-N 2 0 605.783 6.044 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049918048 562694359 /nfs/dbraw/zinc/69/43/59/562694359.db2.gz MJPFRKXNQFAFKR-UHFFFAOYSA-N 2 0 636.884 8.105 1 0 KKAFRP COc1cccc(CCN(Cc2ccccc2-c2ccc(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)cc2)C(=O)NC2CCCCC2)c1 ZINC000049918106 562694420 /nfs/dbraw/zinc/69/44/20/562694420.db2.gz DQTPZBDAYHWUQH-UHFFFAOYSA-N 2 0 610.887 7.848 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049918096 562694464 /nfs/dbraw/zinc/69/44/64/562694464.db2.gz ARIBUZAGBSKJAP-UHFFFAOYSA-N 2 0 638.812 8.071 1 0 KKAFRP C[NH+]1CCC[C@@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000058498827 562698264 /nfs/dbraw/zinc/69/82/64/562698264.db2.gz VXJOOTNFWSEXEQ-XPSQVAKYSA-N 4 0 560.830 6.728 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538286 562698838 /nfs/dbraw/zinc/69/88/38/562698838.db2.gz YCPUQJWPWMUTCY-ITMZJIMRSA-N 3 0 655.975 6.316 1 0 KKAFRP CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H]([NH3+])CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\C[NH+](C)C ZINC000058583480 562700104 /nfs/dbraw/zinc/70/01/04/562700104.db2.gz DSPNTLCJTJBXTD-IRNRRZNASA-N 2 0 555.785 5.657 1 0 in-vitro KKAFRP Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)[NH+](C)C ZINC000058592593 562700624 /nfs/dbraw/zinc/70/06/24/562700624.db2.gz LYSNGEFRFVXPRO-PZXMZKPCSA-N 2 0 616.193 6.050 1 0 KKAFRP CC(C)C[NH+](CC(C)C)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058600005 562700852 /nfs/dbraw/zinc/70/08/52/562700852.db2.gz DLMAHEURGWWRQJ-RKKDRKJOSA-N 2 0 588.872 6.486 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)NC1CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066073942 562709581 /nfs/dbraw/zinc/70/95/81/562709581.db2.gz UPYWGAGJXOCCLN-DHUJRADRSA-N 2 0 639.841 6.541 1 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066167085 562714238 /nfs/dbraw/zinc/71/42/38/562714238.db2.gz QTOQSFUMTPVZMK-KTLQOYRUSA-N 3 0 564.650 5.011 3 0 KKAFRP CC[NH+](CC)CCc1ccc(Oc2ccc(C(=O)c3ccc(C[N@H+](C)Cc4ccccc4)cc3)cc2)cc1 ZINC000071297013 562717695 /nfs/dbraw/zinc/71/76/95/562717695.db2.gz PKMOPDBOZLQVPB-UHFFFAOYSA-N 2 0 506.690 7.226 1 0 KKAFRP CC(C)(C)c1ccc(NC(=O)CCCC[NH3+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCCC[NH3+])nn2)c1 ZINC000071316554 562717967 /nfs/dbraw/zinc/71/79/67/562717967.db2.gz PXXCNNFFECOKNC-UHFFFAOYSA-N 2 0 572.798 6.541 1 0 KKAFRP C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCCCCC[NH+]3CCCCC3)cc2)cc1 ZINC000071319038 562718704 /nfs/dbraw/zinc/71/87/04/562718704.db2.gz WSCLZQFXVHSGBN-UHFFFAOYSA-N 2 0 512.738 7.365 1 0 KKAFRP c1ccc2c(c1)CCN(c1cc[n+](Cc3ccc(-c4ccc(C[n+]5ccc(N6CCc7ccccc7C6)cc5)cc4)cc3)cc1)C2 ZINC000071359444 562720124 /nfs/dbraw/zinc/72/01/24/562720124.db2.gz CMKQUCJFBYFZIA-UHFFFAOYSA-N 2 0 600.810 7.151 1 0 KKAFRP C([NH+]1CCOCCOCC[NH+](CC23CC4CC(CC(C4)C2)C3)CCOCCOCC1)C12CC3CC(CC(C3)C1)C2 ZINC000072106858 562721148 /nfs/dbraw/zinc/72/11/48/562721148.db2.gz XGIPHOMSJSEYRJ-UHFFFAOYSA-N 2 0 558.848 5.103 1 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072128632 562726130 /nfs/dbraw/zinc/72/61/30/562726130.db2.gz ADDCSLGAZPGRHH-GZXHTMMISA-N 3 0 674.765 6.574 3 0 KKAFRP CC[C@@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[NH+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727242 /nfs/dbraw/zinc/72/72/42/562727242.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 2 0 614.834 6.599 1 0 KKAFRP C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147671 562729778 /nfs/dbraw/zinc/72/97/78/562729778.db2.gz CUTKYKYSCGXEOF-WDYNHAJCSA-N 2 0 645.071 7.059 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072179305 562732288 /nfs/dbraw/zinc/73/22/88/562732288.db2.gz WXGRPBIFHLEJRO-AATRIKPKSA-N 2 0 684.790 5.376 1 0 KKAFRP CC(C)(C)c1ccc(C(=[NH2+])Nc2ccc(Oc3cccc(Oc4ccc(NC(=[NH2+])c5ccc(C(C)(C)C)cc5)cc4)c3)cc2)cc1 ZINC000073159485 562734018 /nfs/dbraw/zinc/73/40/18/562734018.db2.gz GLTOTTHRJBDUEP-UHFFFAOYSA-N 2 0 610.802 10.741 1 0 KKAFRP c1ccc(COc2ccc(C[NH2+]CCCCCCCC[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000073199827 562736084 /nfs/dbraw/zinc/73/60/84/562736084.db2.gz YUPIBISHGQCYLV-UHFFFAOYSA-N 2 0 536.760 8.065 1 0 KKAFRP [NH2+]=C(Nc1ccc(Oc2ccc(Oc3ccc(NC(=[NH2+])c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000082139889 562739273 /nfs/dbraw/zinc/73/92/73/562739273.db2.gz DADBNEMQSUYTER-UHFFFAOYSA-N 2 0 650.782 11.480 1 0 KKAFRP C[NH+]1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150195 562739801 /nfs/dbraw/zinc/73/98/01/562739801.db2.gz FFFZTEDRBPFNSJ-JATAFJLTSA-N 2 0 529.769 5.532 1 0 KKAFRP C/C=C1/C[N@H+]2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2[NH+]1C ZINC000082175034 562741607 /nfs/dbraw/zinc/74/16/07/562741607.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 2 0 642.844 6.121 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084614736 562744393 /nfs/dbraw/zinc/74/43/93/562744393.db2.gz IMMJGBGHWQTBLQ-SXOMAYOGSA-N 2 0 641.731 11.219 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2cccnc2)cc1)c1cccc2ccccc21 ZINC000084652106 562746396 /nfs/dbraw/zinc/74/63/96/562746396.db2.gz ZFCWOHLERVDCGH-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP c1nc(-c2ccc(C[NH+]3CCCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(C[NH+]4CCCC4)cc3)o2)c1 ZINC000084688374 562749163 /nfs/dbraw/zinc/74/91/63/562749163.db2.gz VJQASLXMLQVPQK-UHFFFAOYSA-N 2 0 530.672 7.522 1 0 KKAFRP CC[NH+](CC)CC(=O)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)C[NH+](CC)CC)cc6)nn5)cc4c3)nn2)cc1 ZINC000084689232 562749282 /nfs/dbraw/zinc/74/92/82/562749282.db2.gz DJHPSUBYKBMKBC-UHFFFAOYSA-N 2 0 670.822 5.896 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)CC[NH+](CC)CC)c6)nn5)cc4c3)nn2)c1 ZINC000084689171 562749304 /nfs/dbraw/zinc/74/93/04/562749304.db2.gz MPCUHUMCEBROCB-UHFFFAOYSA-N 2 0 698.876 6.676 1 0 KKAFRP CC[NH+](CC)CC(=O)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)C[NH+](CC)CC)c6)nn5)cc4c3)nn2)c1 ZINC000084689231 562749318 /nfs/dbraw/zinc/74/93/18/562749318.db2.gz WXTDHADVBWQHLW-UHFFFAOYSA-N 2 0 670.822 5.896 1 0 KKAFRP CC(C)(C)c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758696 562752712 /nfs/dbraw/zinc/75/27/12/562752712.db2.gz IAADTHQACMECFU-MHZLTWQESA-N 2 0 590.843 9.069 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1cccc2c1c(C[NH+]1CCCC1)cn2Cc1c(Cl)cccc1Cl)C(=O)NCC[NH+]1CCCC1 ZINC000095539676 562755184 /nfs/dbraw/zinc/75/51/84/562755184.db2.gz SSFAFRVEKKGDMY-PXLJZGITSA-N 3 0 797.779 5.649 1 0 KKAFRP [NH3+]CCNC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095539687 562755232 /nfs/dbraw/zinc/75/52/32/562755232.db2.gz AQHSZSZOLJQLMA-PXLJZGITSA-N 2 0 796.772 6.467 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000095539896 562755372 /nfs/dbraw/zinc/75/53/72/562755372.db2.gz LRKHTODFUMQJFV-UHFFFAOYSA-N 2 0 745.798 11.292 1 0 in-vivo KKAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@@H]([NH3+])CCC[NH+](C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095540274 562755605 /nfs/dbraw/zinc/75/56/05/562755605.db2.gz PWTMLUZFONSYFK-SANMLTNESA-N 2 0 747.790 5.059 1 0 KKAFRP CCC1=C[C@@H]2C[N@H+](C1)CCc1c3ccccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)COC(C)=O)C2 ZINC000095541584 562756201 /nfs/dbraw/zinc/75/62/01/562756201.db2.gz ZCFTWKXLYZQADI-WIKZPUGXSA-N 2 0 807.001 5.186 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCC[NH+]1CCCC1 ZINC000095541689 562756265 /nfs/dbraw/zinc/75/62/65/562756265.db2.gz RIJAAKYEDMTTFZ-ZPGRZCPFSA-N 3 0 797.779 5.649 1 0 KKAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1 ZINC000095542588 562756817 /nfs/dbraw/zinc/75/68/17/562756817.db2.gz BIGFAABVAZSDBH-UWXQCODUSA-N 2 0 759.931 5.222 1 0 KKAFRP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@@H]2[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[N@@H+](C2)CCc2c3ccccc3[nH]c21 ZINC000095544812 562757872 /nfs/dbraw/zinc/75/78/72/562757872.db2.gz NTTGUMWDZZVUST-CWKXOIMDSA-N 2 0 807.001 5.186 1 0 KKAFRP [NH3+]CCCC[C@H]([NH2+][C@H](CNC(=O)Nc1ccc2c(C[NH+]3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000095566178 562764800 /nfs/dbraw/zinc/76/48/00/562764800.db2.gz CYCNYYNEUAPXDZ-BAOFOTJISA-N 3 0 769.822 7.124 1 0 KKAFRP [NH3+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CC[NH+](C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000095575187 562770248 /nfs/dbraw/zinc/77/02/48/562770248.db2.gz AAPRNHKWNGDTOT-KWMODDGNSA-N 2 0 584.805 5.986 1 0 KKAFRP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCCOCC[N@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095586328 562773967 /nfs/dbraw/zinc/77/39/67/562773967.db2.gz KMLBRIUEBQEFIQ-UHFFFAOYSA-N 2 0 646.920 7.537 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=[NH2+])Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000095603680 562780618 /nfs/dbraw/zinc/78/06/18/562780618.db2.gz HYRYDBPFIXNJEE-UHFFFAOYSA-N 4 0 538.744 5.305 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCCCN(CCCNC(=[NH2+])Nc1cccc2ccccc21)C(=[NH2+])Nc1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000095605567 562781618 /nfs/dbraw/zinc/78/16/18/562781618.db2.gz WXEORFAZCKQUIT-UHFFFAOYSA-N 4 0 706.943 8.218 1 0 KKAFRP CN(CCCOc1c(Br)cc(CC[NH+](C)C)cc1Br)C(=O)/C=C/c1cc(Br)c(OCCC[NH+](C)C)c(Br)c1 ZINC000095607715 562783068 /nfs/dbraw/zinc/78/30/68/562783068.db2.gz YAKDQOSJNFRMRB-CMDGGOBGSA-N 2 0 783.238 7.112 1 0 KKAFRP O=C(CN(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000095610817 562784619 /nfs/dbraw/zinc/78/46/19/562784619.db2.gz SQRIUKXVALYAKA-WBCKFURZSA-N 2 0 821.955 7.750 1 0 KKAFRP O=C(CCC[NH+]1CCCC1)Nc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccc(NC(=O)CCC[NH+]5CCCC5)c4)cc3)cc2)c1 ZINC000095615097 562787080 /nfs/dbraw/zinc/78/70/80/562787080.db2.gz PKRACTROYYYSFB-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCCCCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000095615856 562787589 /nfs/dbraw/zinc/78/75/89/562787589.db2.gz JPLSQDNMMRTFKV-UHFFFAOYSA-N 2 0 756.942 10.051 1 0 in-vitro KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000095616641 562787880 /nfs/dbraw/zinc/78/78/80/562787880.db2.gz VGKVZHQKCZMUGO-UHFFFAOYSA-N 2 0 776.975 7.288 1 0 KKAFRP CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284377 562795141 /nfs/dbraw/zinc/79/51/41/562795141.db2.gz DRWIINODRIXUJU-PMERELPUSA-N 2 0 537.708 5.622 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096902197 562797255 /nfs/dbraw/zinc/79/72/55/562797255.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 2 0 802.921 8.399 1 0 KKAFRP [NH2+]=C(Nc1ccc(-c2cc(Cl)cc(-c3cccc(NC(=[NH2+])c4ccccc4)c3)c2)cc1)c1ccccc1 ZINC000096908117 562799305 /nfs/dbraw/zinc/79/93/05/562799305.db2.gz HVFPIPGYDSTKNJ-UHFFFAOYSA-N 2 0 501.033 8.549 1 0 KKAFRP C[NH2+]C[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096921307 562801373 /nfs/dbraw/zinc/80/13/73/562801373.db2.gz SDWRNFICZPSBPG-PEFJVVJWSA-N 2 0 527.841 7.491 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCC3)ccc2c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000096922058 562801662 /nfs/dbraw/zinc/80/16/62/562801662.db2.gz UYENUTHBWFXRFV-UHFFFAOYSA-N 3 0 637.821 6.551 1 0 KKAFRP CCC[NH+](CCC)C[C@@H](O)COc1ccc(-c2coc3cc(OC[C@@H](O)C[NH+](CCC)CCC)ccc3c2=O)cc1 ZINC000096924092 562802286 /nfs/dbraw/zinc/80/22/86/562802286.db2.gz RZFCFUJOEZHIFR-SXOMAYOGSA-N 2 0 568.755 5.183 1 0 KKAFRP O=C(c1ccc[n+](Cc2ccc(C[n+]3cccc(C(=O)N4CCN(c5ccccc5Cl)CC4)c3)cc2)c1)N1CCN(c2ccccc2Cl)CC1 ZINC000098084557 562805709 /nfs/dbraw/zinc/80/57/09/562805709.db2.gz VVJDLCLXSTUTRL-UHFFFAOYSA-N 2 0 707.706 5.590 1 0 KKAFRP CC1(C)O[C@H]2O[C@H](C[NH2+]CCCCCCC[NH2+]C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098085018 562805774 /nfs/dbraw/zinc/80/57/74/562805774.db2.gz GWOKPLIRIZBPPP-DVBOQOGMSA-N 2 0 654.845 5.040 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100034001 562806254 /nfs/dbraw/zinc/80/62/54/562806254.db2.gz IYIDBWPTUDDXMP-VJUFCSDWSA-N 2 0 602.820 6.497 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(-c5ccccc5)c4)CC3)c2)C1C(=O)OC ZINC000100043152 562806322 /nfs/dbraw/zinc/80/63/22/562806322.db2.gz JNJWNECCIOEFEZ-KFWIKXCMSA-N 2 0 636.793 7.166 1 0 KKAFRP COC[C@@H]1CCC[N@@H+]1CCCCCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1nn(C(C)C)c3ccccc31)C2 ZINC000101514814 562811189 /nfs/dbraw/zinc/81/11/89/562811189.db2.gz VOPUYPPXVMIQOA-QYOOZWMWSA-N 2 0 509.739 5.014 1 0 KKAFRP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000101641640 562811469 /nfs/dbraw/zinc/81/14/69/562811469.db2.gz SBQOMISLKZTLHT-KUMHGWDASA-N 2 0 512.742 6.509 1 0 KKAFRP CCCC(CCC)=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000103230596 562818219 /nfs/dbraw/zinc/81/82/19/562818219.db2.gz GBFDMIBBKBWUGP-UHFFFAOYSA-N 2 0 546.840 8.598 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240440 562819441 /nfs/dbraw/zinc/81/94/41/562819441.db2.gz BVLCELFVCZYGBZ-UUWRZZSWSA-N 2 0 587.772 5.183 1 0 KKAFRP CC1(C)CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]CC(C)(C)CN7)cc6[nH]5)cc4)[nH]c3c2)=[NH+]C1 ZINC000103251441 562820362 /nfs/dbraw/zinc/82/03/62/562820362.db2.gz IYZBOJJYLLQDHL-UHFFFAOYSA-N 2 0 528.704 6.735 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1 ZINC000103262573 562821658 /nfs/dbraw/zinc/82/16/58/562821658.db2.gz UITRMCZYXGTNNG-UHFFFAOYSA-N 2 0 603.254 7.945 1 0 KKAFRP CC(C)[NH+]1CCN(CCCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000144340720 562836118 /nfs/dbraw/zinc/83/61/18/562836118.db2.gz BZSRXVQVRIIUDK-LWPCESSHSA-N 2 0 632.652 5.415 1 0 KKAFRP O=C(OC[C@@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000146349860 562838464 /nfs/dbraw/zinc/83/84/64/562838464.db2.gz NWVNPWZUKXKBRN-BHVANESWSA-N 2 0 639.804 6.601 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CC[NH+](CC(C)(C)O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000146903871 562838898 /nfs/dbraw/zinc/83/88/98/562838898.db2.gz VJHDDQJWKWUWEC-PVZLDOBLSA-N 2 0 619.609 5.234 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC([NH3+])CC2)[C@H](c2cccc(Cl)c2)[C@]12c1cc(F)c(Cl)cc1NC2=O ZINC000146882511 562838911 /nfs/dbraw/zinc/83/89/11/562838911.db2.gz YZLMHCPVZTXDRG-MUTWLIAXSA-N 2 0 561.529 5.269 1 0 KKAFRP C[NH+]1CCC(CNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000147072481 562839157 /nfs/dbraw/zinc/83/91/57/562839157.db2.gz UXVGENTYNSJSOX-HVHHDALESA-N 2 0 575.556 5.341 1 0 KKAFRP Cc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CCCN(C)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163643079 562849402 /nfs/dbraw/zinc/84/94/02/562849402.db2.gz FLTOZNVHXUTDCB-FAIXQHPJSA-N 2 0 788.946 6.313 1 0 KKAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCc3ccc(CC[NH+]4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 ZINC000164919696 562849762 /nfs/dbraw/zinc/84/97/62/562849762.db2.gz OLYUOAVKDLVFLJ-PIFUBOJPSA-N 2 0 704.916 5.462 1 0 KKAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCCCCCCCC[NH+]3CCC(Cn4cnc([C@@](O)(c5ccccc5)C5CCCCC5)n4)CC3)ccc(O)c2[nH]1 ZINC000164915142 562849781 /nfs/dbraw/zinc/84/97/81/562849781.db2.gz JIFRXMWKDXCKDK-YCCSSRHFSA-N 2 0 698.953 6.407 1 0 KKAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCCCCCCCC[NH+]3CCC(Cn4cnc(C(O)(c5ccccc5)c5ccccc5)n4)CC3)ccc(O)c2[nH]1 ZINC000164919464 562849794 /nfs/dbraw/zinc/84/97/94/562849794.db2.gz OZJWNVOXXCSPRM-QNGWXLTQSA-N 2 0 692.905 5.875 1 0 KKAFRP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)CC=C([C@H]97)[C@H]7C[C@@H]8[NH+]6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169293801 562852183 /nfs/dbraw/zinc/85/21/83/562852183.db2.gz YUHHQTGJEOQYDV-RARADXCZSA-N 2 0 634.824 5.656 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cccc(I)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294389 562852232 /nfs/dbraw/zinc/85/22/32/562852232.db2.gz MCILZGJGLFRYOH-AGJHSZMPSA-N 2 0 918.870 5.401 1 0 KKAFRP CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@H]2[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]2(O)C(=O)OC)C[C@@H]2C=C(CC)C[N@@H+](C2)CCc2c3ccccc3[nH]c21 ZINC000169296845 562852472 /nfs/dbraw/zinc/85/24/72/562852472.db2.gz NTTGUMWDZZVUST-PDYBWOMTSA-N 2 0 807.001 5.186 1 0 KKAFRP CCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321361 562856645 /nfs/dbraw/zinc/85/66/45/562856645.db2.gz RCGLGZGPDWJTFH-CCDWMCETSA-N 3 0 529.814 6.041 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCCCCC[NH+]3CCN(Cc4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342810 562861090 /nfs/dbraw/zinc/86/10/90/562861090.db2.gz IRDZLYUVTZHASS-MGBGTMOVSA-N 2 0 557.779 5.890 1 0 KKAFRP COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCCCCC[NH+]3CCC(O)(Cc4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342805 562861100 /nfs/dbraw/zinc/86/11/00/562861100.db2.gz MQRDMBHMFXHDQV-XIFFEERXSA-N 2 0 572.790 6.142 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@H](C2)[N@H+](C)CC4)OCO3 ZINC000195515666 562872111 /nfs/dbraw/zinc/87/21/11/562872111.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 2 0 606.719 6.874 1 0 KKAFRP S=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000199985168 562873242 /nfs/dbraw/zinc/87/32/42/562873242.db2.gz YFWMPYSLDUUINA-UHFFFAOYSA-N 2 0 667.005 6.624 1 0 KKAFRP CCC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCC[NH+]4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3[C@H](C1)C2 ZINC000210212728 562876987 /nfs/dbraw/zinc/87/69/87/562876987.db2.gz PGEVOJWBZHSHAR-LITSAYRRSA-N 2 0 600.247 8.221 1 0 KKAFRP O=C(NCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2[nH+]c(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299830020 562885054 /nfs/dbraw/zinc/88/50/54/562885054.db2.gz NOBALTDRZBHVTJ-UHFFFAOYSA-N 2 0 610.589 8.226 1 0 KKAFRP CN(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 ZINC000299854519 562891382 /nfs/dbraw/zinc/89/13/82/562891382.db2.gz AAWDKUPZMHITDM-BHVANESWSA-N 2 0 689.813 5.921 1 0 KKAFRP O=c1ccc2ccc(OCCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299856124 562891864 /nfs/dbraw/zinc/89/18/64/562891864.db2.gz CDBHIFNESFKIAT-UHFFFAOYSA-N 2 0 540.708 5.499 1 0 KKAFRP CCCC[C@H]1CN(CCCC[C@H]2C[NH+]=C(N)N2CCc2cccc(C(F)(F)F)c2)C(=[NH2+])N1CCc1ccc(-c2ccccc2)cc1 ZINC000299857165 562892087 /nfs/dbraw/zinc/89/20/87/562892087.db2.gz DSJFRFQKDFIKGB-HEVIKAOCSA-N 2 0 632.819 7.648 1 0 KKAFRP COc1cc(C(=O)NCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299862840 562893693 /nfs/dbraw/zinc/89/36/93/562893693.db2.gz KCGNECXNOLZZEK-DHUJRADRSA-N 2 0 705.812 5.588 1 0 KKAFRP Cc1ccc2c(c1)Cc1cc(Cn3ccc(=[NH+]CCCCCCCCCC[NH+]=c4ccn(C)c5ccccc54)c4ccccc43)ccc1-2 ZINC000377567292 562895912 /nfs/dbraw/zinc/89/59/12/562895912.db2.gz LXKXLBOARNGCJN-UHFFFAOYSA-N 2 0 632.896 9.683 1 0 KKAFRP c1ccc(C[NH+]=c2ccn(CCCCCCCCCCn3ccc(=[NH+]Cc4ccccc4)c4ccccc43)c3ccccc32)cc1 ZINC000377529184 562895914 /nfs/dbraw/zinc/89/59/14/562895914.db2.gz VCGTYQILGQPBTQ-UHFFFAOYSA-N 2 0 606.858 9.619 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccc(Cl)cc3)ccn(Cc3ccc(-c4ccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=[NH2+])c(C)c5-6)cc4)cc3)c1-2 ZINC000377815270 562896100 /nfs/dbraw/zinc/89/61/00/562896100.db2.gz ZIJVEWOXRWHPGQ-UHFFFAOYSA-N 2 0 773.812 11.681 1 0 KKAFRP CCn1ccc(=[NH+]CCCOc2cccc(OCCC[NH+]=c3ccn(CC)c4ccccc43)c2OCCC[NH+]=c2ccn(CC)c3ccccc32)c2ccccc21 ZINC000377829991 562896218 /nfs/dbraw/zinc/89/62/18/562896218.db2.gz ITTXAYWHSICSOX-UHFFFAOYSA-N 3 0 762.999 8.720 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)cc2)cc1 ZINC000377848837 562896392 /nfs/dbraw/zinc/89/63/92/562896392.db2.gz CLAUMDHDOZTOEQ-UHFFFAOYSA-O 2 0 565.742 6.709 1 0 KKAFRP CC[NH+](CC)C[C@H]1CC[C@H](Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473179790 562903465 /nfs/dbraw/zinc/90/34/65/562903465.db2.gz ZRPFSBHZCDWUQX-XGAFWQRZSA-N 2 0 514.497 6.851 1 0 KKAFRP COCCOCCOCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215530 562904127 /nfs/dbraw/zinc/90/41/27/562904127.db2.gz YZANRAPUIYAEBV-WHGLRBHNSA-N 2 0 592.869 6.422 1 0 KKAFRP CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[NH+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)OC)C2 ZINC000653733700 562909564 /nfs/dbraw/zinc/90/95/64/562909564.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 2 0 616.850 6.967 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)CNC(=O)Nc1ccc2c(c1)c(C[NH+]1CCCC1)cn2Cc1c(Cl)cccc1Cl)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000653759995 562911221 /nfs/dbraw/zinc/91/12/21/562911221.db2.gz AEPYHZVGPHKQKE-PQQNNWGCSA-N 2 0 797.788 5.914 1 0 KKAFRP COc1cccc2cc(C[NH+](CCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)Cc3cc4cccc(OC)c4o3)oc21 ZINC000653764370 562911535 /nfs/dbraw/zinc/91/15/35/562911535.db2.gz QSCSHQVZPPAOCR-UHFFFAOYSA-N 2 0 617.790 8.720 1 0 KKAFRP COc1cc2[nH+]c(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OCC[NH+](C)C)c(F)c3)c2cc1OC ZINC000653861147 562915976 /nfs/dbraw/zinc/91/59/76/562915976.db2.gz LQYKMUPDQFDNHF-LJQANCHMSA-N 2 0 566.077 6.117 1 0 KKAFRP C[C@@H]1CCc2c([nH+]c3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CC[C@@H](C)C3)C1 ZINC000653865330 562916191 /nfs/dbraw/zinc/91/61/91/562916191.db2.gz ICGFWVINGGGKCV-FGZHOGPDSA-N 2 0 575.628 8.268 1 0 KKAFRP C[C@@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@H](C)CC4)c2C1 ZINC000653907642 562917657 /nfs/dbraw/zinc/91/76/57/562917657.db2.gz WFTOWPHCMOXYKS-FGZHOGPDSA-N 2 0 575.628 8.268 1 0 KKAFRP COc1ccc2[nH+]c3c(c(NCCCCCCCCCNc4c5cc(OC)ccc5[nH+]c5c4CCCC5)c2c1)CCCC3 ZINC000653913878 562917776 /nfs/dbraw/zinc/91/77/76/562917776.db2.gz MBPQFYXTMHPGDC-UHFFFAOYSA-N 2 0 580.817 7.656 1 0 KKAFRP C[NH+](C)CCOc1ncc(Nc2cc(N3CC[C@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc32)cc1F ZINC000653915591 562917837 /nfs/dbraw/zinc/91/78/37/562917837.db2.gz AZLINZKGCNELEI-KRWDZBQOSA-N 2 0 542.005 6.378 1 0 KKAFRP COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000085900422 565170388 /nfs/dbraw/zinc/17/03/88/565170388.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 2 0 622.762 7.162 1 0 biogenic,in-vitro KKAFRP C/C=C1\[C@@H]2C=C(C)C[C@@]1(C(=O)OC)C[C@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000014947340 581091936 /nfs/dbraw/zinc/09/19/36/581091936.db2.gz GXLCMIZDIFTAHJ-JYWWBZQYSA-N 2 0 529.769 7.300 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)cc2)c1 ZINC000001667883 561679382 /nfs/dbraw/zinc/67/93/82/561679382.db2.gz WWRYOQSWLPAKKE-UHFFFAOYSA-P 2 0 545.643 5.212 1 0 KKAFRP CCCC[N@@H+](Cc1ccccc1)C[C@H](O)CN1CN(c2ccc(F)cc2)C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000003942655 561689566 /nfs/dbraw/zinc/68/95/66/561689566.db2.gz CNCKCYYECLIANE-UMSFTDKQSA-N 2 0 592.844 6.290 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000003832127 561683552 /nfs/dbraw/zinc/68/35/52/561683552.db2.gz MIGQQNQBSBENQE-UHFFFAOYSA-N 2 0 542.745 6.944 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000003940089 561689131 /nfs/dbraw/zinc/68/91/31/561689131.db2.gz NVEMUJANQDPDSC-DHUJRADRSA-N 2 0 640.825 6.968 1 0 investigational KKAFRP CC[NH2+]CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013557713 561718945 /nfs/dbraw/zinc/71/89/45/561718945.db2.gz WEBVOFCKEPIFLB-UHFFFAOYSA-N 2 0 500.708 6.622 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCCC3CC[NH2+]CC3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780320 561729019 /nfs/dbraw/zinc/72/90/19/561729019.db2.gz QLXBJIWDROVPHJ-DEOSSOPVSA-N 2 0 525.137 6.207 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947309 561744786 /nfs/dbraw/zinc/74/47/86/561744786.db2.gz HLRVNJVVXBHFTE-RPBOFIJWSA-N 2 0 565.205 9.396 1 0 in-vivo KKAFRP C[C@@H]([NH3+])COC(=O)[C@@H](CCCC[NH3+])NC(=O)Cc1c2ccc3ccccc3c2[nH]c1-c1ccc2ccccc2c1 ZINC000014952335 561746450 /nfs/dbraw/zinc/74/64/50/561746450.db2.gz NFVRGDRCCNEGBS-ONOMSOESSA-N 2 0 536.676 5.188 1 0 KKAFRP CCC[NH2+]Cc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1C[NH2+]CCC ZINC000014963685 561749163 /nfs/dbraw/zinc/74/91/63/561749163.db2.gz FWTSOYMNLPZPPX-UHFFFAOYSA-N 2 0 567.970 7.212 1 0 KKAFRP [NH3+]CCCN1c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2C(c2ccccc2)=N[C@H](CC[NH3+])C1=O ZINC000026491865 561793370 /nfs/dbraw/zinc/79/33/70/561793370.db2.gz ZSXXLRCQJZBXSP-WJOKGBTCSA-N 2 0 531.704 5.144 1 0 KKAFRP CCCc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026508184 561796932 /nfs/dbraw/zinc/79/69/32/561796932.db2.gz YRWCDZIFWXEFJE-UHFFFAOYSA-N 2 0 568.827 8.061 1 0 KKAFRP [NH3+]CCC[N@H+](CCCC[NH+](CCC[NH2+]CCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1 ZINC000026567443 561797313 /nfs/dbraw/zinc/79/73/13/561797313.db2.gz LANXXLZXYCTYJS-UHFFFAOYSA-N 4 0 556.883 6.598 1 0 KKAFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580193 561805630 /nfs/dbraw/zinc/80/56/30/561805630.db2.gz AJLJWJGSCGGSNQ-WMPKNSHKSA-N 2 0 544.740 6.084 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739795 561817888 /nfs/dbraw/zinc/81/78/88/561817888.db2.gz RISRWZCCASMJER-QWKHHPMFSA-N 2 0 718.986 8.569 1 0 KKAFRP Cn1nnc(-c2ccc(CCCC3(O)CC[NH+](C[C@H]4C[N@H+](CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000026819171 561820878 /nfs/dbraw/zinc/82/08/78/561820878.db2.gz VRWSWNLSRFRDDD-AJQTZOPKSA-N 2 0 556.799 5.323 1 0 KKAFRP OC1(CCCc2ccc(Cc3nn[nH]n3)cc2)CC[NH+](C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821329 /nfs/dbraw/zinc/82/13/29/561821329.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 2 0 556.799 5.236 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027095504 561837981 /nfs/dbraw/zinc/83/79/81/561837981.db2.gz COUXBHSSCYDQNE-UHFFFAOYSA-N 2 0 540.773 7.498 1 0 KKAFRP O=C(c1c2ccc(Cl)cc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027105369 561839861 /nfs/dbraw/zinc/83/98/61/561839861.db2.gz VFIJQNVYQPUYLU-UHFFFAOYSA-N 2 0 575.174 7.402 1 0 KKAFRP COc1cc(N[C@H](C)CCC[NH3+])c2ncccc2c1-c1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21 ZINC000027181355 561841864 /nfs/dbraw/zinc/84/18/64/561841864.db2.gz POJZUHZPWDDYHK-BGYRXZFFSA-N 2 0 516.690 5.546 1 0 KKAFRP C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027182906 561841997 /nfs/dbraw/zinc/84/19/97/561841997.db2.gz IGUYTIRBNXFBHY-QHCPKHFHSA-N 2 0 665.766 6.125 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCC[C@H]2[NH+]2CCCC2)cc1 ZINC000027187049 561842805 /nfs/dbraw/zinc/84/28/05/561842805.db2.gz FNFGQUYKCMRVEK-KKLWWLSJSA-N 2 0 566.811 8.029 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(-c5ccccc5)c4)CC3)c2)C1C(=O)OC ZINC000027208367 561846417 /nfs/dbraw/zinc/84/64/17/561846417.db2.gz JNJWNECCIOEFEZ-YYZYJUAVSA-N 2 0 636.793 7.166 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421188 561857650 /nfs/dbraw/zinc/85/76/50/561857650.db2.gz XWGIRFFCAHGQSB-ZRSDQMEDSA-N 2 0 682.262 5.006 1 0 KKAFRP Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CCCCCC[N@H+]1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3 ZINC000027559552 561870295 /nfs/dbraw/zinc/87/02/95/561870295.db2.gz VPHSDAYKTKNSSR-VMRXFDFMSA-N 2 0 568.846 7.475 1 0 KKAFRP CC(C)(C)c1ccc(COc2ccc(C[NH+](CCC[NH3+])Cc3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 ZINC000027704586 561878539 /nfs/dbraw/zinc/87/85/39/561878539.db2.gz RKLJUFCGSUWCKR-UHFFFAOYSA-N 2 0 578.841 8.791 1 0 KKAFRP [NH3+]CCCC[NH+](Cc1ccc(OCCCc2ccccc2)cc1)Cc1ccc(OCCCc2ccccc2)cc1 ZINC000027708956 561879319 /nfs/dbraw/zinc/87/93/19/561879319.db2.gz SQKHDYBIFIWXRW-UHFFFAOYSA-N 2 0 536.760 7.451 1 0 KKAFRP O=C(CC[NH+]1CCC(CCCn2c(COc3ccccc3)nc3c2cccc3OCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027713498 561879984 /nfs/dbraw/zinc/87/99/84/561879984.db2.gz JKLHZMSMCPAPNY-UHFFFAOYSA-N 2 0 622.854 7.635 1 0 KKAFRP CCCC[NH+](CCCC)CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027721758 561880633 /nfs/dbraw/zinc/88/06/33/561880633.db2.gz CNBAHWHKMALNPO-UHFFFAOYSA-N 2 0 584.870 8.915 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)c(F)c1 ZINC000027854043 561886302 /nfs/dbraw/zinc/88/63/02/561886302.db2.gz PXNXERNZHVHTBN-VLZNPVHKSA-N 2 0 614.827 8.264 1 0 KKAFRP C[N@@H+]1CC[C@H](CCOc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027864419 561887532 /nfs/dbraw/zinc/88/75/32/561887532.db2.gz MASBGBPFFXRYDV-HHHXNRCGSA-N 2 0 540.773 7.354 1 0 KKAFRP C[N@@H+]1CC[C@@H](CCOc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027864412 561887552 /nfs/dbraw/zinc/88/75/52/561887552.db2.gz MASBGBPFFXRYDV-MHZLTWQESA-N 2 0 540.773 7.354 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000027867462 561887885 /nfs/dbraw/zinc/88/78/85/561887885.db2.gz YJNABKQWGPQQGT-VSJLXWSYSA-N 2 0 596.837 8.125 1 0 KKAFRP CCn1nc(-c2ccc(C[NH3+])cc2)cc1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011792 561896561 /nfs/dbraw/zinc/89/65/61/561896561.db2.gz YJMFAXOJBXHJLD-GTXBZULCSA-N 2 0 583.821 5.957 1 0 KKAFRP COc1c2cc3c(c1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1cc3c(c(OC)c1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)O2 ZINC000028115907 561903719 /nfs/dbraw/zinc/90/37/19/561903719.db2.gz MTOVAEJFHDLHAG-ROJLCIKYSA-N 2 0 622.762 7.162 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028456530 561923960 /nfs/dbraw/zinc/92/39/60/561923960.db2.gz DRDQYIOQYQLAEY-LHEWISCISA-N 2 0 685.825 6.099 1 0 KKAFRP CN(c1cc[n+](Cc2ccc(C[n+]3ccc(N(C)c4cc(Cl)cc(Cl)c4)cc3)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000028463537 561925775 /nfs/dbraw/zinc/92/57/75/561925775.db2.gz XMBHQDNXJNPSJZ-UHFFFAOYSA-N 2 0 610.416 8.508 1 0 KKAFRP Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(CCc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1 ZINC000028475235 561927893 /nfs/dbraw/zinc/92/78/93/561927893.db2.gz HMMMGCNJIFXIRP-UHFFFAOYSA-N 2 0 673.732 8.957 1 0 in-vivo KKAFRP CCC[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522891 561929690 /nfs/dbraw/zinc/92/96/90/561929690.db2.gz KVXBESYMUJUSIW-CLJLJLNGSA-N 2 0 574.766 5.151 1 0 KKAFRP CN(C)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522868 561929693 /nfs/dbraw/zinc/92/96/93/561929693.db2.gz FWSPPCXTUQYBKS-NDEPHWFRSA-N 2 0 502.669 5.595 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646321 561945077 /nfs/dbraw/zinc/94/50/77/561945077.db2.gz BYSSGQJAFRAXOS-UMSFTDKQSA-N 2 0 528.760 5.810 1 0 KKAFRP O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@H]1N1CC[NH2+]CC1 ZINC000028572394 561940010 /nfs/dbraw/zinc/94/00/10/561940010.db2.gz ZZVHSBGUJDNNFG-KAYWLYCHSA-N 2 0 521.105 5.151 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646330 561945137 /nfs/dbraw/zinc/94/51/37/561945137.db2.gz XHPVWBPEZTWPSN-MGBGTMOVSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646309 561945139 /nfs/dbraw/zinc/94/51/39/561945139.db2.gz MBWDVGJDHXOXCK-DHUJRADRSA-N 2 0 542.787 6.200 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3c(Br)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646252 561944933 /nfs/dbraw/zinc/94/49/33/561944933.db2.gz ULCBUFYAPVFUKG-XIFFEERXSA-N 2 0 595.645 6.449 1 0 KKAFRP CC(C)Oc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646277 561944975 /nfs/dbraw/zinc/94/49/75/561944975.db2.gz LXYNSRGSZRHNAF-DHUJRADRSA-N 2 0 574.829 6.474 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[N@@H+]4CC[C@H](O)C4)c3)C[C@@H]2C1)C(C)C ZINC000028650157 561945924 /nfs/dbraw/zinc/94/59/24/561945924.db2.gz BDQHGDPMNLDROP-MKJAEOQWSA-N 2 0 585.208 6.509 1 0 KKAFRP c1ccc2c(c1)ccc[n+]2CCCCCc1cc(CCCCC[n+]2cccc3ccccc32)cc(CCCCC[n+]2cccc3ccccc32)c1 ZINC000028861883 561971804 /nfs/dbraw/zinc/97/18/04/561971804.db2.gz MAZBMPSWUMNOSJ-UHFFFAOYSA-N 3 0 672.981 10.248 1 0 KKAFRP COC(=O)c1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953994 561982757 /nfs/dbraw/zinc/98/27/57/561982757.db2.gz BUAHBVOJSQIEGK-JSOSNVBQSA-N 2 0 595.228 5.187 1 0 KKAFRP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3CCCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000029042152 561991347 /nfs/dbraw/zinc/99/13/47/561991347.db2.gz NDTBNCBZGFIGSO-BZVYYCGGSA-N 2 0 550.791 7.080 1 0 KKAFRP OC(CCC[NH+]1CCC(C2CC[NH+](CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 ZINC000029042811 561991611 /nfs/dbraw/zinc/99/16/11/561991611.db2.gz ANUNMVJZPWGZDH-UHFFFAOYSA-N 2 0 616.890 7.843 1 0 KKAFRP O=C1c2ccccc2C(=O)N1CCC[NH+](CCCCCC[N@@H+](CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1)C1CCCCC1 ZINC000029205294 562005033 /nfs/dbraw/zinc/00/50/33/562005033.db2.gz IPFHFZGETVWVEB-UHFFFAOYSA-N 2 0 654.896 7.189 1 0 KKAFRP [NH3+]CCCCCC[NH2+][C@H]1CN(CCc2c[nH]c3ccccc23)[C@@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398828 562019233 /nfs/dbraw/zinc/01/92/33/562019233.db2.gz BDCZNHLXBZSGEO-CLLHQPRTSA-N 2 0 584.805 5.035 1 0 KKAFRP [NH3+]CCCCCC[NH2+][C@H]1CN(CCc2c[nH]c3ccccc23)[C@@H](CO)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029398831 562019240 /nfs/dbraw/zinc/01/92/40/562019240.db2.gz BDCZNHLXBZSGEO-KFIZHRIMSA-N 2 0 584.805 5.035 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC1CCCCC1 ZINC000029476948 562026508 /nfs/dbraw/zinc/02/65/08/562026508.db2.gz MIAPIEQESUEHIA-ZAQUEYBZSA-N 2 0 666.951 7.001 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546384 562029968 /nfs/dbraw/zinc/02/99/68/562029968.db2.gz KTCPZYZGBDYZCM-MEKGRNQZSA-N 2 0 546.800 5.514 1 0 KKAFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000034802956 562042382 /nfs/dbraw/zinc/04/23/82/562042382.db2.gz UHUZETZGBNNICB-YTTGMZPUSA-N 2 0 562.843 6.902 1 0 KKAFRP CC[C@H](C)[C@H]([NH2+]CCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285505 562054233 /nfs/dbraw/zinc/05/42/33/562054233.db2.gz BOPWJLPYCLOJEY-PPHZAIPVSA-N 2 0 573.531 6.319 1 0 KKAFRP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000036294965 562054834 /nfs/dbraw/zinc/05/48/34/562054834.db2.gz QJEHMTISNSKIMA-FHUMEZSESA-N 2 0 642.837 5.669 1 0 in-vivo KKAFRP CC[NH+](CC)CCOc1ccc(C[NH+]2CCC(C3CC[NH+](Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1 ZINC000038408115 562071842 /nfs/dbraw/zinc/07/18/42/562071842.db2.gz RXWSDELIXSDNSN-UHFFFAOYSA-N 3 0 548.816 5.670 1 0 KKAFRP CCCCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000040374809 562073239 /nfs/dbraw/zinc/07/32/39/562073239.db2.gz IKZKJTZSLURQHH-KYJUHHDHSA-N 2 0 526.810 5.408 1 0 KKAFRP O=C(CC[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040405804 562074976 /nfs/dbraw/zinc/07/49/76/562074976.db2.gz SPJJFGAQKWFOME-WYJFYEORSA-N 2 0 500.727 6.380 1 0 KKAFRP CCCCCCN(C)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000040434140 562077044 /nfs/dbraw/zinc/07/70/44/562077044.db2.gz VASSRGYVSNRJNX-ACHIHNKUSA-N 2 0 554.864 6.188 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000042805515 562089187 /nfs/dbraw/zinc/08/91/87/562089187.db2.gz JUIDNHMRFHXGSO-QXGCHBAUSA-N 2 0 624.914 7.057 1 0 KKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]Cc2ccccc2)CN3c2ccccc2)c2ccccc21 ZINC000040892683 562082878 /nfs/dbraw/zinc/08/28/78/562082878.db2.gz GZSRIFUGJZDLKC-WJOKGBTCSA-N 2 0 522.737 5.730 1 0 KKAFRP COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(O)cc32)cc1Oc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(O)cc32)cc1 ZINC000042805502 562089196 /nfs/dbraw/zinc/08/91/96/562089196.db2.gz DLKOEMSGKYGCFE-FQLXRVMXSA-N 2 0 582.697 5.775 1 0 KKAFRP CC(C)[NH+](CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O)C(C)C ZINC000040915065 562083899 /nfs/dbraw/zinc/08/38/99/562083899.db2.gz OYYKUZKRRODNKD-SSEXGKCCSA-N 2 0 516.774 6.059 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCC[NH2+]CCCCOc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC000040916517 562083993 /nfs/dbraw/zinc/08/39/93/562083993.db2.gz CMKFVCOUPURYTM-UHFFFAOYSA-N 2 0 527.112 7.652 1 0 KKAFRP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3[NH+](C)CC2 ZINC000095909661 560059554 /nfs/dbraw/zinc/05/95/54/560059554.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 2 0 594.708 6.556 1 0 biogenic,in-vitro KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](CCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000043174934 562646588 /nfs/dbraw/zinc/64/65/88/562646588.db2.gz FNBJPXIAYRUTAU-JOCHJYFZSA-N 2 0 548.127 6.353 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@@]3(C[C@@]4(CS3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043382070 562648194 /nfs/dbraw/zinc/64/81/94/562648194.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 2 0 510.744 6.624 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@H](O)[C@]3(CS[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043511664 562648790 /nfs/dbraw/zinc/64/87/90/562648790.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 2 0 510.744 6.624 1 0 KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000044307250 562653927 /nfs/dbraw/zinc/65/39/27/562653927.db2.gz LURSGJRJYTUATF-UHFFFAOYSA-N 2 0 638.901 8.356 1 0 KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000044307517 562654014 /nfs/dbraw/zinc/65/40/14/562654014.db2.gz PSQXIGUPLREQBQ-UHFFFAOYSA-N 2 0 624.874 7.966 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)nc4)cc3)nc2c1 ZINC000044351291 562654597 /nfs/dbraw/zinc/65/45/97/562654597.db2.gz QXKBXHIDQJARQS-UHFFFAOYSA-N 2 0 583.744 6.600 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Nc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044352157 562655034 /nfs/dbraw/zinc/65/50/34/562655034.db2.gz XRCMHCAKQBAGNJ-UHFFFAOYSA-N 2 0 569.717 7.164 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044430443 562657502 /nfs/dbraw/zinc/65/75/02/562657502.db2.gz ZDCKQLSERMUBOK-JIBXKPLWSA-N 2 0 532.725 5.456 1 0 KKAFRP O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045190428 562658501 /nfs/dbraw/zinc/65/85/01/562658501.db2.gz RFOZKIJTQIPXTD-HKBQPEDESA-N 2 0 511.710 5.542 1 0 KKAFRP COc1ccc2c(OC)ccc(C[NH2+]CCCCCC[NH2+]Cc3ccc(OC)c4ccc(OC)cc34)c2c1 ZINC000045191140 562658517 /nfs/dbraw/zinc/65/85/17/562658517.db2.gz LUGUBQQECUOLFK-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP CCCCCCNC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])NCCCCCC)cc2)cc1 ZINC000045201360 562659032 /nfs/dbraw/zinc/65/90/32/562659032.db2.gz DACKOOHHDRVYSQ-UHFFFAOYSA-N 2 0 508.751 7.305 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(CCCN3CC[NH+](C)CC3)C(=O)/C=C/c3ccccc3)cc2)c1 ZINC000045202341 562659154 /nfs/dbraw/zinc/65/91/54/562659154.db2.gz HATWFWUXXJBHQL-OBGWFSINSA-N 2 0 538.780 5.779 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045209757 562659237 /nfs/dbraw/zinc/65/92/37/562659237.db2.gz KVVPFQGDXRKBEP-MNNSJKJDSA-N 2 0 528.524 5.449 1 0 KKAFRP CC(C)CCNC(=[NH2+])Nc1ccc(OCCCCCOc2ccc(NC(=[NH2+])NCCC(C)C)cc2)cc1 ZINC000045226565 562659347 /nfs/dbraw/zinc/65/93/47/562659347.db2.gz WYBOHICQEMBFDX-UHFFFAOYSA-N 2 0 510.727 6.279 1 0 KKAFRP COc1cc(C[NH2+]CCCCCC[NH2+]Cc2cc(OC)c3ccccc3c2OC)c(OC)c2ccccc12 ZINC000045228627 562659482 /nfs/dbraw/zinc/65/94/82/562659482.db2.gz VTFXFDIZLLAYHJ-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000045231380 562659718 /nfs/dbraw/zinc/65/97/18/562659718.db2.gz NWGQEIQRJIXFIL-WJOKGBTCSA-N 2 0 518.721 5.133 1 0 KKAFRP COCC[NH+]1CCC(C[N@H+](C)CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)CC1 ZINC000045325071 562661218 /nfs/dbraw/zinc/66/12/18/562661218.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 2 0 512.098 5.066 1 0 KKAFRP CC(C)C[NH2+]Cc1ccccc1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045367593 562662170 /nfs/dbraw/zinc/66/21/70/562662170.db2.gz QGLTXLFHFVMPJH-VWLOTQADSA-N 2 0 516.667 6.300 1 0 in-vitro KKAFRP O=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000048307397 562663052 /nfs/dbraw/zinc/66/30/52/562663052.db2.gz BJIWSXVBXFPTGM-UHFFFAOYSA-N 2 0 665.882 8.250 1 0 KKAFRP CCCC[NH+](CCCC)CC1(C[NH+](CCCC)CCCC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049031433 562663369 /nfs/dbraw/zinc/66/33/69/562663369.db2.gz IOGFWISXLWLBGV-UHFFFAOYSA-N 2 0 512.735 6.467 1 0 KKAFRP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067592 562663981 /nfs/dbraw/zinc/66/39/81/562663981.db2.gz WHPDQMKLUXKLEA-PMERELPUSA-N 2 0 502.666 5.765 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000049605695 562666208 /nfs/dbraw/zinc/66/62/08/562666208.db2.gz URWKLKCYFZHRRR-WJYNUDHCSA-N 2 0 580.798 6.026 1 0 KKAFRP COCC(=O)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605796 562666336 /nfs/dbraw/zinc/66/63/36/562666336.db2.gz HFRJMAMILVBUDA-UHFFFAOYSA-N 2 0 561.770 6.326 1 0 KKAFRP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667037 /nfs/dbraw/zinc/66/70/37/562667037.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 2 0 547.669 6.375 1 0 KKAFRP CCCCCCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCCCCCC)ccc2ccccc21 ZINC000049626278 562667116 /nfs/dbraw/zinc/66/71/16/562667116.db2.gz BIOMZJMEILIDOF-UHFFFAOYSA-N 2 0 596.900 10.351 1 0 KKAFRP CC(C)CC[NH2+]Cc1ccc(OCc2ccccc2COc2ccc(C[NH2+]CCC(C)C)cc2I)c(I)c1 ZINC000049626952 562667437 /nfs/dbraw/zinc/66/74/37/562667437.db2.gz URYIYQCIZHPRCZ-UHFFFAOYSA-N 2 0 740.508 8.325 1 0 KKAFRP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000049639366 562667723 /nfs/dbraw/zinc/66/77/23/562667723.db2.gz RISRWZCCASMJER-ZYBCLOSLSA-N 2 0 718.986 8.569 1 0 KKAFRP CC[C@@]1(O)CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000049708865 562671110 /nfs/dbraw/zinc/67/11/10/562671110.db2.gz LDTWLIQWOQZVHX-OAKKBAFNSA-N 2 0 610.843 6.536 1 0 KKAFRP CCOc1ccccc1CC[NH2+][C@H](C)Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000049710028 562671493 /nfs/dbraw/zinc/67/14/93/562671493.db2.gz YBYBHEJTYRHGER-VSGBNLITSA-N 2 0 598.231 7.518 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049710070 562671496 /nfs/dbraw/zinc/67/14/96/562671496.db2.gz MLNFOBLETLUVAI-UHFFFAOYSA-N 2 0 607.821 5.067 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)C4CCCC4)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049710189 562671550 /nfs/dbraw/zinc/67/15/50/562671550.db2.gz ZFOAJZNFDDHEKK-UHFFFAOYSA-N 2 0 664.916 6.668 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049710185 562671568 /nfs/dbraw/zinc/67/15/68/562671568.db2.gz PFUWJAVCNYZCCP-UHFFFAOYSA-N 2 0 638.812 8.071 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000049710271 562671628 /nfs/dbraw/zinc/67/16/28/562671628.db2.gz HEKNIUBVYWUXQP-PGUFJCEWSA-N 2 0 572.813 6.229 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711026 562671910 /nfs/dbraw/zinc/67/19/10/562671910.db2.gz NKILNBZJPOZQEA-ZTOMLWHTSA-N 2 0 595.628 6.179 1 0 KKAFRP CC(=O)N(Cc1cccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049711271 562672010 /nfs/dbraw/zinc/67/20/10/562672010.db2.gz YFNVMLITZGWIEM-UHFFFAOYSA-N 2 0 561.726 6.385 1 0 KKAFRP COCC[NH2+]Cc1cccc(-c2cccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000049723197 562673041 /nfs/dbraw/zinc/67/30/41/562673041.db2.gz KOQLTGJMABBBKE-UHFFFAOYSA-N 2 0 562.758 6.788 1 0 KKAFRP COCC[NH2+]Cc1ccc(-c2cccc(CN(C(=O)CCC3CCCC3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000049723350 562673238 /nfs/dbraw/zinc/67/32/38/562673238.db2.gz QUDRINJLCKIYPJ-UHFFFAOYSA-N 2 0 567.818 7.053 1 0 KKAFRP COc1ccc(C(=O)C[C@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746741 562674570 /nfs/dbraw/zinc/67/45/70/562674570.db2.gz PZCAJRBMLAWARR-UWXQCODUSA-N 2 0 706.884 7.084 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000049756458 562675043 /nfs/dbraw/zinc/67/50/43/562675043.db2.gz JZXNGSFRELANIS-UHFFFAOYSA-N 2 0 561.726 6.843 1 0 KKAFRP CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761806 562676143 /nfs/dbraw/zinc/67/61/43/562676143.db2.gz XMKYPYRPWJRORL-PNGMXGABSA-N 2 0 605.827 6.814 1 0 KKAFRP CCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049761967 562676225 /nfs/dbraw/zinc/67/62/25/562676225.db2.gz LWBWIASRNRMFOK-OKXLTDPZSA-N 2 0 647.908 7.985 1 0 KKAFRP Oc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771180 562678011 /nfs/dbraw/zinc/67/80/11/562678011.db2.gz RBDJNSDRHVXHEQ-MXGQMUSSSA-N 3 0 671.974 5.756 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049780080 562681311 /nfs/dbraw/zinc/68/13/11/562681311.db2.gz ZHNVEXZKXNWTHM-NRVMUHNNSA-N 3 0 725.911 7.980 1 0 KKAFRP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780087 562681369 /nfs/dbraw/zinc/68/13/69/562681369.db2.gz RMUPNRJFGFALOJ-QCHNSLHVSA-N 3 0 685.846 7.200 1 0 KKAFRP CC(C)[C@@H](C[N@@H+]1CCC[C@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[NH+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780539 562681860 /nfs/dbraw/zinc/68/18/60/562681860.db2.gz KKVYINJCGJEOEP-IJERZTCISA-N 3 0 607.931 5.464 1 0 KKAFRP COc1ccccc1C1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)c3c2CC[NH2+]C3)CC1 ZINC000049780616 562682011 /nfs/dbraw/zinc/68/20/11/562682011.db2.gz QUUKJTUMCJOCFF-RUZDIDTESA-N 2 0 657.803 5.178 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[NH+](C)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049793624 562685028 /nfs/dbraw/zinc/68/50/28/562685028.db2.gz FLZIGWGEPLAQCW-QNGWXLTQSA-N 2 0 623.879 6.115 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=[NH2+] ZINC000049802961 562686002 /nfs/dbraw/zinc/68/60/02/562686002.db2.gz KFACEZJIBWZGJP-YKKXUYLKSA-N 3 0 659.967 6.647 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]CCCCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917535 562693542 /nfs/dbraw/zinc/69/35/42/562693542.db2.gz SMSHMNCHALXRMV-HHHXNRCGSA-N 2 0 554.178 7.468 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]CCCCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917534 562693560 /nfs/dbraw/zinc/69/35/60/562693560.db2.gz SMSHMNCHALXRMV-MHZLTWQESA-N 2 0 554.178 7.468 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049917947 562694175 /nfs/dbraw/zinc/69/41/75/562694175.db2.gz SEOXZFYESRVXQQ-UHFFFAOYSA-N 2 0 603.236 6.425 1 0 KKAFRP FC(F)(F)COc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCC(F)(F)F)ccc2ccccc21 ZINC000049918078 562694396 /nfs/dbraw/zinc/69/43/96/562694396.db2.gz GJYWYBMQWHRCNG-UHFFFAOYSA-N 2 0 592.624 8.315 1 0 KKAFRP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000058600009 562700860 /nfs/dbraw/zinc/70/08/60/562700860.db2.gz KBMKKADZRZDNII-ILJQZKEFSA-N 2 0 624.821 5.213 1 0 KKAFRP Cc1c(C(=O)NCCCCC[NH2+]CCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064526882 562706671 /nfs/dbraw/zinc/70/66/71/562706671.db2.gz XAFYBNATTVKYIO-UHFFFAOYSA-N 2 0 550.962 6.427 1 0 KKAFRP CC(C)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000064633626 562708951 /nfs/dbraw/zinc/70/89/51/562708951.db2.gz DOVNDOSDULTCGE-LBRLCBGXSA-N 2 0 624.821 5.213 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073967 562709606 /nfs/dbraw/zinc/70/96/06/562709606.db2.gz OXHFCAMGABAVGJ-MGBGTMOVSA-N 2 0 606.815 6.000 1 0 KKAFRP O=CNc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O ZINC000066102220 562711417 /nfs/dbraw/zinc/71/14/17/562711417.db2.gz UBYLWRAVITWHBW-DHUJRADRSA-N 2 0 616.803 6.694 1 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123356 562712465 /nfs/dbraw/zinc/71/24/65/562712465.db2.gz ZEXXHGZCQOTQRI-REAZVSRJSA-N 3 0 612.694 5.597 3 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123546 562712510 /nfs/dbraw/zinc/71/25/10/562712510.db2.gz OWSMUBKIKILYGC-RZZQBKOKSA-N 3 0 578.677 5.401 3 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066138773 562713373 /nfs/dbraw/zinc/71/33/73/562713373.db2.gz ZVEYVJHSYHNOSH-OZIPUQOZSA-N 3 0 640.748 6.378 3 0 KKAFRP c1cc(C[n+]2ccc(C3CCCCC3)cc2)cc(-c2cccc(C[n+]3ccc(C4CCCCC4)cc3)c2)c1 ZINC000071333847 562719499 /nfs/dbraw/zinc/71/94/99/562719499.db2.gz PJRAOQGVWNECMY-UHFFFAOYSA-N 2 0 502.746 8.121 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCC3)cc2)ccc1Cc1ccc(C[n+]2ccc(N3CCCCC3)cc2)cc1 ZINC000071341246 562719939 /nfs/dbraw/zinc/71/99/39/562719939.db2.gz WAPUJTZPPKSJNZ-UHFFFAOYSA-N 2 0 518.749 5.930 1 0 KKAFRP C[NH+](C)CCOC(=O)c1cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c(-c2ccc(C3CC[NH2+]CC3)cc2)c1 ZINC000072109376 562721630 /nfs/dbraw/zinc/72/16/30/562721630.db2.gz QRWSUKMIWRJHKJ-UHFFFAOYSA-N 2 0 546.633 7.378 1 0 KKAFRP S=C(NCCC[NH2+]CCC[NH2+]CCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000072120071 562723977 /nfs/dbraw/zinc/72/39/77/562723977.db2.gz XXFBCUBVLMMPQZ-UHFFFAOYSA-N 2 0 695.059 6.709 1 0 KKAFRP O=C(CC[NH2+]CCCCNc1c2c([nH+]c3ccccc31)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072121432 562724264 /nfs/dbraw/zinc/72/42/64/562724264.db2.gz KTMTUPHTVNDPJJ-UHFFFAOYSA-N 2 0 555.682 6.294 1 0 KKAFRP Cc1c(C(=O)NCCCCCCCCC[N@H+](C)CCCCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072147625 562729806 /nfs/dbraw/zinc/72/98/06/562729806.db2.gz YSLYAILXDKYYMD-UHFFFAOYSA-N 2 0 677.205 9.890 1 0 KKAFRP [NH2+]=C(Nc1ccc(Oc2ccc(Oc3ccc(NC(=[NH2+])C4CCCCC4)cc3)cc2)cc1)C1CCCCC1 ZINC000073159473 562734005 /nfs/dbraw/zinc/73/40/05/562734005.db2.gz ONFYNPKLTVHFTG-UHFFFAOYSA-N 2 0 510.682 9.210 1 0 KKAFRP c1ccc(CN2CCCCCN(Cc3ccccc3)c3cc[n+](c4ccccc34)CCCCC[n+]3ccc2c2ccccc23)cc1 ZINC000079164999 562738821 /nfs/dbraw/zinc/73/88/21/562738821.db2.gz FJWFYTZWTDLHDG-UHFFFAOYSA-N 2 0 606.858 8.636 1 0 KKAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000082186509 562742454 /nfs/dbraw/zinc/74/24/54/562742454.db2.gz UKCDZDJZYKMPAA-UHFFFAOYSA-N 2 0 664.854 7.016 1 0 KKAFRP C[NH2+]CCCOc1c(Br)cc(/C=C/C(=O)NCCCOc2c(Br)cc(CC[NH+](C)C)cc2Br)cc1Br ZINC000085810836 562753360 /nfs/dbraw/zinc/75/33/60/562753360.db2.gz RATGKGRCESGIQD-VOTSOKGWSA-N 2 0 755.184 6.428 1 0 KKAFRP C[NH+](C)CCCOc1c(Br)cc(/C=C/C(=O)NCCCOc2c(Br)cc(CC[NH+](C)C)cc2Br)cc1Br ZINC000085810835 562753373 /nfs/dbraw/zinc/75/33/73/562753373.db2.gz PKWUEPCKAUUBLY-BQYQJAHWSA-N 2 0 769.211 6.770 1 0 KKAFRP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536517 562753920 /nfs/dbraw/zinc/75/39/20/562753920.db2.gz RWORRXPCSGCYTM-COCZKOEFSA-N 2 0 774.918 7.129 1 0 KKAFRP C[NH+](CCNC(=O)CCCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536801 562754191 /nfs/dbraw/zinc/75/41/91/562754191.db2.gz PLYHJGZNJIKTSD-UHFFFAOYSA-N 2 0 819.794 6.472 1 0 KKAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1OCc1ccc2ccccc2c1 ZINC000095536862 562754212 /nfs/dbraw/zinc/75/42/12/562754212.db2.gz UHDJCPRFWHHPTB-NGTUMBJYSA-N 4 0 742.917 5.018 1 0 KKAFRP c1cc[n+]2c(c1)CCCCCCCCCCCCC[n+]1cccc(c1)CCCCCCCCCCCCC2 ZINC000095557828 562762238 /nfs/dbraw/zinc/76/22/38/562762238.db2.gz ZJKSGOZDULBXKX-UHFFFAOYSA-N 2 0 520.890 9.643 1 0 KKAFRP CCC[NH+](CCCCCCCCCC[N@@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095560321 562763020 /nfs/dbraw/zinc/76/30/20/562763020.db2.gz SQYZBSPQNGOKJY-ACHIHNKUSA-N 2 0 548.856 8.057 1 0 KKAFRP CCC[NH+](CCCCCCC[N@@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095562515 562763723 /nfs/dbraw/zinc/76/37/23/562763723.db2.gz CIDCPLKTGCFTOZ-VMPREFPWSA-N 2 0 506.775 6.887 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095576349 562770624 /nfs/dbraw/zinc/77/06/24/562770624.db2.gz SQNFGAWWNIPHLE-BWELLIPCSA-N 2 0 506.731 5.339 1 0 KKAFRP COCCc1sc[n+](Cc2ccc(OCCCCCOc3ccc(C[n+]4csc(CCOC)c4C)cc3)cc2)c1C ZINC000095596287 562776909 /nfs/dbraw/zinc/77/69/09/562776909.db2.gz HNIXNBOPCWMEIV-UHFFFAOYSA-N 2 0 596.859 6.104 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCCCN(CCCNC(=[NH2+])Nc1ccc2ccccc2c1)C(=[NH2+])Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000095601429 562779566 /nfs/dbraw/zinc/77/95/66/562779566.db2.gz JYWAYBDOFZXUDQ-UHFFFAOYSA-N 4 0 706.943 8.218 1 0 KKAFRP COc1cc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4cc(OC)c(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CC[NH+](C)CC1 ZINC000095617222 562787911 /nfs/dbraw/zinc/78/79/11/562787911.db2.gz ALPXAXWJBNDGEN-BQYQJAHWSA-N 2 0 772.896 6.173 1 0 KKAFRP CC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(=O)c5ccc6c(ccc[n+]6CC)c5)cc4)cc3)ccc21 ZINC000095882141 562790166 /nfs/dbraw/zinc/79/01/66/562790166.db2.gz IDWSTBJCFSZIHQ-UHFFFAOYSA-P 2 0 595.703 6.365 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)c(OC)c4)cc3)cc2OC)c1 ZINC000095890992 562790237 /nfs/dbraw/zinc/79/02/37/562790237.db2.gz HDUPTWMHVYPUQE-UHFFFAOYSA-P 2 0 674.758 5.328 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285561 562795829 /nfs/dbraw/zinc/79/58/29/562795829.db2.gz LESFBJPJZADQHL-UHFFFAOYSA-N 2 0 644.860 7.946 1 0 KKAFRP O=c1ccoc2cc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285550 562795852 /nfs/dbraw/zinc/79/58/52/562795852.db2.gz PQVCLIWXIHZOHO-UHFFFAOYSA-N 2 0 526.681 5.109 1 0 KKAFRP COc1ccc(-c2cc(=O)c3ccc(OCCCN4CC[NH+](CCCNc5c6ccccc6[nH+]c6c5CCCC6)CC4)cc3o2)cc1 ZINC000096285557 562795863 /nfs/dbraw/zinc/79/58/63/562795863.db2.gz FYFPJPCNMIMCSI-UHFFFAOYSA-N 2 0 632.805 6.784 1 0 KKAFRP CCOc1ccc(CC[NH2+][C@H](CN[C@@H](C[NH2+]C)CC2CCCCC2)Cc2ccc3ccccc3c2)cc1 ZINC000096917593 562801300 /nfs/dbraw/zinc/80/13/00/562801300.db2.gz XHAMUVGGTUICQZ-ZWXJPIIXSA-N 2 0 501.759 6.130 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096921317 562801389 /nfs/dbraw/zinc/80/13/89/562801389.db2.gz CIZNQLQZHULKAK-PZKYTKABSA-N 2 0 571.853 7.916 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CC1CCC(C)CC1 ZINC000096921312 562801390 /nfs/dbraw/zinc/80/13/90/562801390.db2.gz ZKXNCXUTYPVWSS-NYHGRFICSA-N 2 0 507.766 6.740 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(-c2c3ccc(OCC[NH+](CC)CC)cc3oc(=O)c2-c2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC000096922060 562801648 /nfs/dbraw/zinc/80/16/48/562801648.db2.gz JFSPDGQFBMIWGT-UHFFFAOYSA-N 3 0 643.869 7.289 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCC3)ccc2c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC000096922047 562801675 /nfs/dbraw/zinc/80/16/75/562801675.db2.gz BWTGOSUFBQIILK-UHFFFAOYSA-N 2 0 524.661 6.076 1 0 KKAFRP Cc1ccc(-c2cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)cc1 ZINC000096922778 562801875 /nfs/dbraw/zinc/80/18/75/562801875.db2.gz MLPOZINERCSPNE-UHFFFAOYSA-N 4 0 612.815 5.906 1 0 KKAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3cccc4ccccc43)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2cccc3ccccc32)[C@@H]1OCc1cccc2ccccc21 ZINC000096929563 562803098 /nfs/dbraw/zinc/80/30/98/562803098.db2.gz BGSMYISTVNBWDO-NGTUMBJYSA-N 4 0 742.917 5.018 1 0 KKAFRP CC[NH+](CC)CCNc1cccc(-c2ncc(-c3cccc(-c4cnc(-c5cccc(NCC[NH+](CC)CC)c5)o4)c3)o2)c1 ZINC000096935084 562804041 /nfs/dbraw/zinc/80/40/41/562804041.db2.gz RINXKDPKUOJWKZ-UHFFFAOYSA-N 2 0 592.788 7.838 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000100043223 562806326 /nfs/dbraw/zinc/80/63/26/562806326.db2.gz UOCGAYIFCNPMRN-RFRSNRLQSA-N 2 0 590.721 5.508 1 0 KKAFRP CCC1=C[NH+]2CC[C@]34c5ccccc5N=C3[C@@]3(CC5=C6N(C3)c3ccccc3[C@@]63CC[N@H+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000102176986 562812892 /nfs/dbraw/zinc/81/28/92/562812892.db2.gz IBWDDURZGONIOT-UNFWSFJASA-N 2 0 554.782 6.948 1 0 KKAFRP CN1CCc2c3ccccc3[nH]c2[C@H]1C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000102240718 562812988 /nfs/dbraw/zinc/81/29/88/562812988.db2.gz SXCGYMQYLYUUDT-NHGYEBAOSA-N 2 0 566.834 6.380 1 0 KKAFRP COc1ccc(CNC(=O)C[C@H]2c3ccccc3[NH+]=C(N(C)CCCCC[NH+](C)C)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240397 562819477 /nfs/dbraw/zinc/81/94/77/562819477.db2.gz PVTQXYSLRQKPEP-BHVANESWSA-N 2 0 603.811 7.281 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=[NH2+])N1CCc1cccc(F)c1 ZINC000103251684 562820402 /nfs/dbraw/zinc/82/04/02/562820402.db2.gz AAPZSPRLZTTYLQ-IOWSJCHKSA-N 2 0 625.675 6.644 1 0 KKAFRP CN1CCC[NH+]=C1c1ccc2cc(-c3ccc(-c4cc5ccc(C6=[NH+]CCCN6C)cc5[nH]4)cc3)[nH]c2c1 ZINC000139747981 562832732 /nfs/dbraw/zinc/83/27/32/562832732.db2.gz NOSSKBHHQORPPD-UHFFFAOYSA-N 2 0 500.650 6.147 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599117 562846955 /nfs/dbraw/zinc/84/69/55/562846955.db2.gz QZSFQPHEUVUELH-JHOUSYSJSA-N 2 0 720.587 8.237 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599130 562846974 /nfs/dbraw/zinc/84/69/74/562846974.db2.gz LZKCQRVREPOZNT-IOWSJCHKSA-N 2 0 710.581 8.781 1 0 KKAFRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)[NH+](CC)CC)cc2)cc1)c1ccccc1 ZINC000150601024 562847215 /nfs/dbraw/zinc/84/72/15/562847215.db2.gz VEBMGQFZMFBZTK-ATUXXYJQSA-N 2 0 756.992 7.379 1 0 KKAFRP CC(C)c1ccc(N2C(N3CCN(CC[NH+](C)C)CC3)=[NH+]c3ccccc3[C@H]2CC(=O)NCc2ccccc2)cc1 ZINC000169307078 562853683 /nfs/dbraw/zinc/85/36/83/562853683.db2.gz YUHSOBUIGBFDIM-JGCGQSQUSA-N 2 0 552.767 5.245 1 0 KKAFRP C[NH+](C)CCCOc1ccc(C(=O)c2nc3ccccc3cc2-c2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000169312703 562855411 /nfs/dbraw/zinc/85/54/11/562855411.db2.gz WTTHLGLMWCBKNN-UHFFFAOYSA-N 2 0 511.666 5.794 1 0 KKAFRP Cc1cc(C)c(NC(=O)OC2CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1 ZINC000169323315 562857004 /nfs/dbraw/zinc/85/70/04/562857004.db2.gz XKANEACQXQNDQP-BHVANESWSA-N 2 0 745.383 7.473 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4C)cc3)c(C)c2)c1 ZINC000169330361 562858685 /nfs/dbraw/zinc/85/86/85/562858685.db2.gz SMJCOMUEFJKPEX-UHFFFAOYSA-P 2 0 642.760 5.927 1 0 KKAFRP CN(C(=O)[C@](C)(CC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000169331967 562859077 /nfs/dbraw/zinc/85/90/77/562859077.db2.gz IOIJNSLWZAOUPA-CYEXUTLASA-N 2 0 698.667 5.503 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)COc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)ccc21 ZINC000169333037 562859224 /nfs/dbraw/zinc/85/92/24/562859224.db2.gz QEWMXUFMRMGCIS-UHFFFAOYSA-P 2 0 534.660 5.658 1 0 KKAFRP CN(CCCC(=O)Nc1cccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000169685070 562865049 /nfs/dbraw/zinc/86/50/49/562865049.db2.gz KVMMKDMMCQUAMU-KDXMTYKHSA-N 2 0 774.919 6.004 1 0 KKAFRP C[NH+]1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448915 562871890 /nfs/dbraw/zinc/87/18/90/562871890.db2.gz FFFZTEDRBPFNSJ-OETVIHDQSA-N 2 0 529.769 5.532 1 0 KKAFRP C[NH+]1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447797 562871893 /nfs/dbraw/zinc/87/18/93/562871893.db2.gz NWCDXZDSLNCFBZ-UZBSQRRVSA-N 2 0 515.742 5.142 1 0 KKAFRP C[NH+]1CCC(OC(=O)Cc2ccc(NC(=O)c3cccc(-c4cc(C(=O)Nc5ccncc5F)ccc4C[NH3+])c3)cc2)CC1 ZINC000206458019 562876471 /nfs/dbraw/zinc/87/64/71/562876471.db2.gz MTHCVKWAIVCBAE-UHFFFAOYSA-N 2 0 595.675 5.031 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)c2)cc1 ZINC000220988564 562878708 /nfs/dbraw/zinc/87/87/08/562878708.db2.gz TZEQURTUCFGROG-KNQAVFIVSA-N 2 0 511.626 5.492 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)c2)cc1 ZINC000220988502 562878712 /nfs/dbraw/zinc/87/87/12/562878712.db2.gz TZEQURTUCFGROG-DENIHFKCSA-N 2 0 511.626 5.492 1 0 KKAFRP CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(CC[NH+](C)C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844640 562889387 /nfs/dbraw/zinc/88/93/87/562889387.db2.gz MPMIEQKPTIKNPN-UHFFFAOYSA-N 2 0 518.729 5.646 1 0 KKAFRP CCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000299849128 562890412 /nfs/dbraw/zinc/89/04/12/562890412.db2.gz RCGLGZGPDWJTFH-UBFVSLLYSA-N 3 0 529.814 6.041 1 0 KKAFRP O=C(NCCC[NH2+]CCCCC[NH2+]CCCNC(=O)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000299853754 562891221 /nfs/dbraw/zinc/89/12/21/562891221.db2.gz PHXRNBAPWQWFIU-UHFFFAOYSA-N 2 0 634.869 6.294 1 0 KKAFRP CCOc1cc(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299858010 562892340 /nfs/dbraw/zinc/89/23/40/562892340.db2.gz FZVNQFHQTVISSR-UHFFFAOYSA-N 2 0 556.707 5.117 1 0 KKAFRP Cc1c(Cl)c(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299858070 562892409 /nfs/dbraw/zinc/89/24/09/562892409.db2.gz GDFJHAWHVPWSSH-UHFFFAOYSA-N 2 0 561.126 5.680 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863850 562893945 /nfs/dbraw/zinc/89/39/45/562893945.db2.gz LRIVUPRHLMQOGF-ZVZYGMPWSA-N 2 0 606.166 6.980 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc43)N(CCCCC3CCCCC3)C2=[NH2+])N1CCc1cccc(C(F)(F)F)c1 ZINC000299864214 562894037 /nfs/dbraw/zinc/89/40/37/562894037.db2.gz QVTUYHZDKWGAPU-MPQUPPDSSA-N 2 0 674.900 8.694 1 0 KKAFRP O=c1ccc2ccc(OCCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299865301 562894371 /nfs/dbraw/zinc/89/43/71/562894371.db2.gz TWJIVHLWRFWASS-UHFFFAOYSA-N 2 0 554.735 5.889 1 0 KKAFRP C1=C\c2ccc(cc2)CN2C=CC(=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4ccc/1cc4)c1ccccc13)c1ccccc12 ZINC000377803477 562895980 /nfs/dbraw/zinc/89/59/80/562895980.db2.gz XEMPJHUQLPZELF-RJBHHOQMSA-N 2 0 630.880 10.637 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4ccc(cc4)CCc4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377838554 562896249 /nfs/dbraw/zinc/89/62/49/562896249.db2.gz PWKOKPCVDQPYGH-UHFFFAOYSA-N 2 0 632.896 10.252 1 0 KKAFRP Cc1c2c(C)c3c(C)c1CN1C=CC(=[NH+]Cc4cc(cc(c4)C[NH+]=C4C=CN(C=C4)C3)C[NH+]=C3C=CN(C=C3)C2)C=C1 ZINC000377838550 562896258 /nfs/dbraw/zinc/89/62/58/562896258.db2.gz FVRNRSYKCIDCAK-UHFFFAOYSA-N 3 0 552.726 6.691 1 0 KKAFRP Clc1cc(Cl)c2c(c1)N1C=CC2=[NH+]Cc2ccc(cc2)C[NH+]=C2C=CN(Cc3cccc(c3)C1)c1cc(Cl)cc(Cl)c12 ZINC000377848798 562896413 /nfs/dbraw/zinc/89/64/13/562896413.db2.gz LNQGLGVFJNOOBQ-UHFFFAOYSA-N 2 0 630.406 9.660 1 0 KKAFRP C[N@@H+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117129 562899181 /nfs/dbraw/zinc/89/91/81/562899181.db2.gz XUCRUGYJRDTBOP-CONSDPRKSA-O 3 0 508.771 6.331 1 0 KKAFRP C[N@@H+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCC[NH2+]C[C@H]2CCc3ccc(O)cc3O2)c1 ZINC000473117137 562899192 /nfs/dbraw/zinc/89/91/92/562899192.db2.gz XUCRUGYJRDTBOP-JSOSNVBQSA-O 3 0 508.771 6.331 1 0 KKAFRP C[C@H](COC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc3)nc(Oc3ccc(C(=O)OC[C@H](C)[NH+](C)C)cc3)n2)cc1)[NH+](C)C ZINC000653747708 562910502 /nfs/dbraw/zinc/91/05/02/562910502.db2.gz WYCXGHBIJHDQCV-PFBJBMPXSA-N 3 0 744.846 5.569 1 0 KKAFRP c1c2ccccc2oc1C[NH+](CCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)Cc1cc2ccccc2o1 ZINC000653775552 562911939 /nfs/dbraw/zinc/91/19/39/562911939.db2.gz TWJOHEVVRIJHJT-UHFFFAOYSA-N 2 0 571.765 9.093 1 0 KKAFRP COC(=O)[C@@H](CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCC[NH3+])n1Cc1ccc(OC)cc1 ZINC000653856883 562915759 /nfs/dbraw/zinc/91/57/59/562915759.db2.gz ZPCUFYOWDKVSHD-WUELQPERSA-N 2 0 789.982 5.389 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)[NH2+]CC3 ZINC000085493292 565128379 /nfs/dbraw/zinc/12/83/79/565128379.db2.gz QUNLCUCOOQVXQM-NSOVKSMOSA-N 2 0 624.734 6.526 1 0 biogenic,in-vitro KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCC2)nc1 ZINC000003814126 561682927 /nfs/dbraw/zinc/68/29/27/561682927.db2.gz DZKKCXFAEARBHV-UHFFFAOYSA-N 2 0 543.733 6.209 1 0 KKAFRP Ic1ccc(CC[NH+]2CCC(CCCn3c4cccc(OCCC[NH+]5CCCCC5)c4nc3COc3ccccc3)CC2)cc1 ZINC000003922139 561685856 /nfs/dbraw/zinc/68/58/56/561685856.db2.gz AKUPTCFWDTYGOJ-UHFFFAOYSA-N 2 0 720.740 8.210 1 0 KKAFRP C(=C/Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCCC2)cc1)\Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000003935645 561688407 /nfs/dbraw/zinc/68/84/07/561688407.db2.gz RTRBUDIKCGJLKP-VAWYXSNFSA-N 2 0 722.978 9.486 1 0 KKAFRP CCNC(=[NH2+])CCNC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(=[NH2+])NCC)n(CCC(C)C)c3)cc2)cn1CCC(C)C ZINC000003965795 561691557 /nfs/dbraw/zinc/69/15/57/561691557.db2.gz BXWOIBLMEJCBRC-UHFFFAOYSA-N 2 0 716.932 5.300 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1Oc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1 ZINC000005882795 561699849 /nfs/dbraw/zinc/69/98/49/561699849.db2.gz UHYCXSGUNAWVBW-SAIUNTKASA-N 2 0 638.805 7.065 1 0 in-vivo KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCNc2c3ccccc3[nH+]c3c2CCCCC3)CCCCC1 ZINC000013473795 561714486 /nfs/dbraw/zinc/71/44/86/561714486.db2.gz SDPGWLDAXDUDLE-UHFFFAOYSA-N 2 0 506.738 8.405 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCC3)cc2)cc(-c2cccc(C[n+]3ccc(N4CCCCC4)cc3)c2)c1 ZINC000013584359 561720339 /nfs/dbraw/zinc/72/03/39/561720339.db2.gz XYGKCUFPPNMELX-UHFFFAOYSA-N 2 0 504.722 6.006 1 0 KKAFRP CC(C)C=C(c1ccc(OCC[NH+](C(C)C)C(C)C)cc1)c1ccc(OCC[NH+](C(C)C)C(C)C)cc1 ZINC000013605649 561721754 /nfs/dbraw/zinc/72/17/54/561721754.db2.gz JZRULYGGBGXJAM-UHFFFAOYSA-N 2 0 508.791 7.770 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@H]3CCCC[NH2+]3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780305 561729039 /nfs/dbraw/zinc/72/90/39/561729039.db2.gz VPLRZVPDJKVALG-ISKFKSNPSA-N 2 0 511.110 5.960 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@@H]3CCCC[NH2+]3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780308 561729046 /nfs/dbraw/zinc/72/90/46/561729046.db2.gz MZDQVOUAJWXYFT-NOZRDPDXSA-N 2 0 525.137 6.350 1 0 KKAFRP CCCCCC[NH+](CCCCCC)CCCCCN1c2ccccc2O[C@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834520 561734198 /nfs/dbraw/zinc/73/41/98/561734198.db2.gz DYDAGYSZFYAYOM-SSEXGKCCSA-N 2 0 520.762 7.070 1 0 KKAFRP CCCCCC[NH+](CCCCCC)CCCCCN1c2ccccc2O[C@@H](c2cccc(C(N)=[NH2+])c2)C1=O ZINC000013834521 561734250 /nfs/dbraw/zinc/73/42/50/561734250.db2.gz DYDAGYSZFYAYOM-PMERELPUSA-N 2 0 520.762 7.070 1 0 KKAFRP Fc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2c3ccc(F)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000014946308 561743477 /nfs/dbraw/zinc/74/34/77/561743477.db2.gz LGPLUMZTSHOAFT-UHFFFAOYSA-N 2 0 542.718 8.683 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947316 561744733 /nfs/dbraw/zinc/74/47/33/561744733.db2.gz YNGVZJKKHQZTOO-RPWUZVMVSA-N 2 0 599.650 10.049 1 0 in-vivo KKAFRP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4cc(OCC[NH+]5CCCC5)cc(C(F)(F)F)c4)[nH+]c3c2)ccn1 ZINC000014965250 561749419 /nfs/dbraw/zinc/74/94/19/561749419.db2.gz NVUDZLHYERBWHX-UHFFFAOYSA-N 2 0 540.546 5.347 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@]2(C)[NH2+]Cc3ccccc32)CC1 ZINC000023249198 561761399 /nfs/dbraw/zinc/76/13/99/561761399.db2.gz XEJWRNRUPWQYOB-MENXEMIHSA-N 2 0 634.240 5.142 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccc(NC(=O)C(=O)Nc3ccc4[nH+]ccc(N[C@H](C)CCC[NH+](CC)CC)c4c3)cc12 ZINC000026160535 561768563 /nfs/dbraw/zinc/76/85/63/561768563.db2.gz BJAHSSRTDMJHKT-VSGBNLITSA-N 4 0 654.904 7.205 1 0 KKAFRP COc1cc(Cn2c3ccc(C[NH3+])cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000026396240 561787031 /nfs/dbraw/zinc/78/70/31/561787031.db2.gz DKXVFANXQNFDLB-UHFFFAOYSA-N 3 0 539.724 5.289 1 0 KKAFRP COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)cc3c[nH+]ccc32)ccc1C(=O)N1CCCC1 ZINC000026398209 561787641 /nfs/dbraw/zinc/78/76/41/561787641.db2.gz GFYUWNDCKSTPFU-UHFFFAOYSA-N 2 0 524.665 5.471 1 0 KKAFRP C[N@@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026579412 561804737 /nfs/dbraw/zinc/80/47/37/561804737.db2.gz VAYCSJFLMOOEMT-MUVVOIGYSA-N 2 0 541.588 6.754 1 0 KKAFRP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3C[N@H+](C)CC[C@H]3c3ccc(Cl)cc3)cc2)C1 ZINC000026652742 561808729 /nfs/dbraw/zinc/80/87/29/561808729.db2.gz SEIQXEMHCYOXBR-GASGPIRDSA-N 2 0 607.626 5.697 1 0 KKAFRP O[C@@H](C[NH2+]CCCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2ccccc21 ZINC000027090112 561837052 /nfs/dbraw/zinc/83/70/52/561837052.db2.gz KBMBOHPENBGFSY-BBLOSTOYSA-N 2 0 628.785 6.782 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(CCC[NH+]2CCCC2)cc1 ZINC000027187167 561842844 /nfs/dbraw/zinc/84/28/44/561842844.db2.gz LDWVEYVNIAILLO-UHFFFAOYSA-N 2 0 524.774 7.662 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1nc2cc3nc(N[C@@H](C)CCC[NH+](CC)CC)sc3cc2s1 ZINC000027187722 561842931 /nfs/dbraw/zinc/84/29/31/561842931.db2.gz MWIWYLDDMXUERN-BGYRXZFFSA-N 2 0 504.814 6.751 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209068 561846669 /nfs/dbraw/zinc/84/66/69/561846669.db2.gz PGEFKDAJUTWFED-HDYHEZILSA-N 2 0 633.790 5.620 1 0 KKAFRP O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000027214936 561848053 /nfs/dbraw/zinc/84/80/53/561848053.db2.gz LLJUTRQUTPARKU-UHFFFAOYSA-N 2 0 665.322 7.354 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(C)cc4)CC3)c2)C1C(=O)OC ZINC000027216733 561848495 /nfs/dbraw/zinc/84/84/95/561848495.db2.gz SMJLNIGKMMYLNJ-SKDBZILTSA-N 2 0 589.737 5.140 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027298687 561848592 /nfs/dbraw/zinc/84/85/92/561848592.db2.gz PJRQMRHTTDMHGX-ONLUTYIHSA-N 2 0 574.722 5.889 1 0 KKAFRP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccc(-c5ccc(-c6nc7cc(C(N)=[NH2+])ccc7[nH]6)cc5)o4)cc3)nc2c1 ZINC000027308740 561850249 /nfs/dbraw/zinc/85/02/49/561850249.db2.gz ZPPGYHJWOCWXBR-UHFFFAOYSA-N 2 0 536.599 6.268 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425219 561858291 /nfs/dbraw/zinc/85/82/91/561858291.db2.gz KJKZOKVFJPDHQM-LIVHHCORSA-N 2 0 679.906 6.291 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517539 561861270 /nfs/dbraw/zinc/86/12/70/561861270.db2.gz SIRMQLLMKUZYMJ-KYJUHHDHSA-N 2 0 609.699 7.382 1 0 KKAFRP CNC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1F ZINC000027526256 561866117 /nfs/dbraw/zinc/86/61/17/561866117.db2.gz DCGSNFHTNRDXFG-GDLZYMKVSA-N 2 0 566.693 5.137 1 0 KKAFRP Brc1c[n+](CCCCCCCCCC[n+]2cc(Br)c3ccccc3c2)cc2ccccc12 ZINC000027657132 561877942 /nfs/dbraw/zinc/87/79/42/561877942.db2.gz GDLYMWOYJQWWJY-UHFFFAOYSA-N 2 0 556.386 7.914 1 0 KKAFRP OCCC[N@H+](CCN(Cc1ccccc1)Cc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 561885401 /nfs/dbraw/zinc/88/54/01/561885401.db2.gz NNVBKPALZBJMDB-UHFFFAOYSA-N 2 0 598.835 7.171 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(NC(=O)C[NH3+])cc2)ccc1C[NH+]1CCCC1 ZINC000027860701 561887002 /nfs/dbraw/zinc/88/70/02/561887002.db2.gz OFQKPOKHNFJIMX-UHFFFAOYSA-N 2 0 501.652 5.366 1 0 KKAFRP [NH3+]Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028220430 561907261 /nfs/dbraw/zinc/90/72/61/561907261.db2.gz YJQFUOPHSUCEMH-UHFFFAOYSA-N 3 0 541.761 6.394 1 0 KKAFRP CC[NH+](CC)Cc1ccc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1OC ZINC000028224805 561907770 /nfs/dbraw/zinc/90/77/70/561907770.db2.gz HTRARARNSILPGK-UHFFFAOYSA-N 2 0 544.761 7.190 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000028225097 561907799 /nfs/dbraw/zinc/90/77/99/561907799.db2.gz XWMIDWUJKUXATI-UHFFFAOYSA-N 2 0 547.164 7.589 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256402 561911496 /nfs/dbraw/zinc/91/14/96/561911496.db2.gz QXXXZTFUFKESQI-LOYHVIPDSA-N 2 0 620.842 6.939 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028255839 561911526 /nfs/dbraw/zinc/91/15/26/561911526.db2.gz WJEYQCJEIFEUFW-ACHIHNKUSA-N 2 0 648.896 7.719 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257900 561911894 /nfs/dbraw/zinc/91/18/94/561911894.db2.gz LXWHNYYETIMYQL-VMPREFPWSA-N 2 0 606.815 6.549 1 0 KKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(CCCCCCn3c4cc(Cl)c(Cl)cc4nc3C3CC[NH2+]CC3)c2cc1Cl ZINC000028229891 561908993 /nfs/dbraw/zinc/90/89/93/561908993.db2.gz HMPHQJXUZJHWJC-UHFFFAOYSA-N 2 0 622.472 8.194 1 0 KKAFRP CC(=[NH2+])N1CCC(Oc2ccc(OCc3nc4cc(C(N)=[NH2+])ccc4n3CC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000028370838 561918281 /nfs/dbraw/zinc/91/82/81/561918281.db2.gz TWEOHCQZZFYPOE-UHFFFAOYSA-N 2 0 608.530 5.685 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028456253 561923818 /nfs/dbraw/zinc/92/38/18/561923818.db2.gz QOVORVCMPAUEEK-PSXMRANNSA-N 2 0 738.683 6.348 1 0 KKAFRP CCc1c(C)nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2c1Cl ZINC000028456258 561923831 /nfs/dbraw/zinc/92/38/31/561923831.db2.gz ITVJGPQRNBWHLA-KXQOOQHDSA-N 2 0 737.301 6.505 1 0 KKAFRP CN(c1cc[n+](Cc2cccc(C[n+]3ccc(N(C)c4cc(Cl)cc(Cl)c4)cc3)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000028460882 561925161 /nfs/dbraw/zinc/92/51/61/561925161.db2.gz XPWXMLHEHNFMAW-UHFFFAOYSA-N 2 0 610.416 8.508 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4C(F)(F)F)CC3)c2)C1C(=O)OC ZINC000028463236 561925750 /nfs/dbraw/zinc/92/57/50/561925750.db2.gz BSGDTKDVQLDCLE-SVNRFNMRSA-N 2 0 629.680 5.507 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12 ZINC000028473316 561927413 /nfs/dbraw/zinc/92/74/13/561927413.db2.gz BSMUGWWQLVDEKV-UHFFFAOYSA-N 2 0 717.744 11.174 1 0 in-vivo KKAFRP CN(C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)C)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000028475176 561927716 /nfs/dbraw/zinc/92/77/16/561927716.db2.gz XVDKPOWCTFDCDS-UHFFFAOYSA-N 2 0 552.766 6.582 1 0 in-vivo KKAFRP COc1ccc2cc3[n+](cc2c1OCCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028475126 561927739 /nfs/dbraw/zinc/92/77/39/561927739.db2.gz AOMDJTYUICYNJP-UHFFFAOYSA-N 2 0 684.745 6.337 1 0 in-vivo KKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000028476436 561928271 /nfs/dbraw/zinc/92/82/71/561928271.db2.gz XECDAQKXQGCBQG-UHFFFAOYSA-N 2 0 676.908 9.986 1 0 in-vivo KKAFRP COc1ccc2cc3[n+](cc2c1OCCCCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028520957 561929190 /nfs/dbraw/zinc/92/91/90/561929190.db2.gz WXSJRCINMNCFNM-UHFFFAOYSA-N 2 0 712.799 7.117 1 0 KKAFRP COc1ccc2cc3[n+](cc2c1OCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028521592 561929294 /nfs/dbraw/zinc/92/92/94/561929294.db2.gz GHQNBODFDQQYQR-UHFFFAOYSA-N 2 0 656.691 5.904 1 0 KKAFRP O=C1c2c3ccccc3n(CCC[NH+]3CCCCC3)c2[C@H](Oc2ccc(Cl)cc2)C[C@@H]1N1CC[NH2+]CC1 ZINC000028572395 561940001 /nfs/dbraw/zinc/94/00/01/561940001.db2.gz ZZVHSBGUJDNNFG-RRPNLBNLSA-N 2 0 521.105 5.151 1 0 KKAFRP COc1cccc(-c2ccccc2)c1CCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646364 561945156 /nfs/dbraw/zinc/94/51/56/561945156.db2.gz QQIBGMDABOGKGQ-UMSFTDKQSA-N 2 0 558.786 5.819 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)C2CC[NH+](C(C)C)CC2)CC1 ZINC000028645909 561944622 /nfs/dbraw/zinc/94/46/22/561944622.db2.gz YQAIQMBVUVSWQU-UMSFTDKQSA-N 2 0 545.787 6.832 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3cccc(F)c3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645920 561944659 /nfs/dbraw/zinc/94/46/59/561944659.db2.gz QZSJYHCBUZIVJV-XIFFEERXSA-N 2 0 545.762 7.086 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028645983 561944707 /nfs/dbraw/zinc/94/47/07/561944707.db2.gz BXMQVSMCTWXOEI-PGUFJCEWSA-N 2 0 545.762 7.086 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645963 561944763 /nfs/dbraw/zinc/94/47/63/561944763.db2.gz AWNPJZLYWXFSRD-PGUFJCEWSA-N 2 0 545.762 7.086 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646113 561944775 /nfs/dbraw/zinc/94/47/75/561944775.db2.gz HACIOHWUGCOLEL-JGCGQSQUSA-N 2 0 502.722 5.298 1 0 KKAFRP CCOc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646269 561944908 /nfs/dbraw/zinc/94/49/08/561944908.db2.gz SWWNCLLHMVBWRH-UUWRZZSWSA-N 2 0 560.802 6.085 1 0 KKAFRP CC[NH+](CC)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000028650165 561945902 /nfs/dbraw/zinc/94/59/02/561945902.db2.gz RYKUCGZOIHVSPY-WHPNFGMDSA-N 2 0 571.225 7.784 1 0 KKAFRP CCC(=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc(OCC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000028821486 561966458 /nfs/dbraw/zinc/96/64/58/561966458.db2.gz DJGRPCMFVIBSFC-UHFFFAOYSA-N 2 0 538.776 7.785 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824069 561968864 /nfs/dbraw/zinc/96/88/64/561968864.db2.gz ZMEBQZIGXQLVSL-YPKYBTACSA-N 2 0 613.168 6.969 1 0 KKAFRP COc1ccc([C@@H]2C[N@@H+](C(C)C)C[C@H]2C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000028824072 561968871 /nfs/dbraw/zinc/96/88/71/561968871.db2.gz SZEHNEVYJPISLX-IARZGTGTSA-N 2 0 560.705 5.533 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC[NH+]2CCC(c3c4ccc(F)cc4sc3C(=O)NCC[NH3+])CC2)C1 ZINC000028824397 561969521 /nfs/dbraw/zinc/96/95/21/561969521.db2.gz RYGMHJYKQHAHIH-UHFFFAOYSA-N 2 0 706.832 5.199 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C2CC[NH2+]CC2)CC1 ZINC000028825741 561970934 /nfs/dbraw/zinc/97/09/34/561970934.db2.gz QOBFFKATRNHSSE-RRPNLBNLSA-N 2 0 642.594 5.434 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864189 561972770 /nfs/dbraw/zinc/97/27/70/561972770.db2.gz QJMYPUOUIDONAU-MHZLTWQESA-N 2 0 576.732 5.309 1 0 KKAFRP CN(CCCCC[NH+]1CCCC1)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccccc1 ZINC000028885510 561977562 /nfs/dbraw/zinc/97/75/62/561977562.db2.gz DKHAGFIMNLTLHC-HKBQPEDESA-N 2 0 523.725 6.140 1 0 in-vivo KKAFRP CC(C)C[C@H](NC(=O)CC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960154 561983915 /nfs/dbraw/zinc/98/39/15/561983915.db2.gz MNHIMAXVJTXTPI-NHKHRBQYSA-N 2 0 636.203 5.684 1 0 KKAFRP CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000029482102 562027513 /nfs/dbraw/zinc/02/75/13/562027513.db2.gz OYZKEUGCOIDWKC-UWXQCODUSA-N 2 0 640.913 6.466 1 0 KKAFRP CC(C)CC[N@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000029482993 562027741 /nfs/dbraw/zinc/02/77/41/562027741.db2.gz KRZIBAVPXAEWJT-LQJZCPKCSA-N 2 0 578.842 5.288 1 0 KKAFRP CCCN(CCC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000029546739 562030104 /nfs/dbraw/zinc/03/01/04/562030104.db2.gz LCBHQIDVXKUJSD-LOYHVIPDSA-N 2 0 526.810 5.408 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036284618 562053163 /nfs/dbraw/zinc/05/31/63/562053163.db2.gz QLNOYTUKDZUEOD-SLGZMBILSA-N 2 0 636.668 5.483 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036284635 562053307 /nfs/dbraw/zinc/05/33/07/562053307.db2.gz QLNOYTUKDZUEOD-WIHCDAFUSA-N 2 0 636.668 5.483 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000036284717 562053371 /nfs/dbraw/zinc/05/33/71/562053371.db2.gz NSFFFSYEDFVOOT-CKOYEXALSA-N 2 0 634.240 5.011 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000036284689 562053382 /nfs/dbraw/zinc/05/33/82/562053382.db2.gz CXNCKVKDTNIURI-CKOYEXALSA-N 2 0 634.240 5.311 1 0 KKAFRP O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(C[NH+]3CCC(CC[NH+]4CCCC4)CC3)ccc2c1 ZINC000038149732 562066223 /nfs/dbraw/zinc/06/62/23/562066223.db2.gz YTPPVLMNPFESTM-UHFFFAOYSA-N 2 0 584.189 7.014 1 0 KKAFRP CCN(CC)C(=O)[C@H]1CCC[NH+](CCCCCCCCCC[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000040375321 562073285 /nfs/dbraw/zinc/07/32/85/562073285.db2.gz VUAPWEZMELHKGR-NSOVKSMOSA-N 2 0 506.820 5.268 1 0 KKAFRP c1cc(C2=[NH+]CCN2)cc2nc(-c3ccc(CCc4ccc(-c5nc6cc(C7=[NH+]CCN7)ccc6[nH]5)cc4)cc3)[nH]c12 ZINC000042807003 562089968 /nfs/dbraw/zinc/08/99/68/562089968.db2.gz PRBYPIAHFVLPCP-UHFFFAOYSA-N 2 0 550.670 5.258 1 0 KKAFRP COc1cc2c3cc1Cc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000070454202 560048539 /nfs/dbraw/zinc/04/85/39/560048539.db2.gz OAYMPFKYWUYPSQ-IOWSJCHKSA-N 2 0 592.736 6.355 1 0 biogenic,in-vitro KKAFRP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[NH+]2C/C(=C\C)[C@@H]6C[C@H]21 ZINC000103579839 560051788 /nfs/dbraw/zinc/05/17/88/560051788.db2.gz XISKMNBBUQQBBE-NYKLSZDKSA-N 2 0 552.766 6.129 1 0 biogenic,in-vitro KKAFRP CCCC[C@H]([NH3+])CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@H]1CC[NH+]=C(N)N1 ZINC000085510054 560074053 /nfs/dbraw/zinc/07/40/53/560074053.db2.gz XLGONYPSBVKQLI-JDVBVGCISA-N 2 0 581.785 5.927 1 0 biogenic,in-vitro KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000043175204 562646582 /nfs/dbraw/zinc/64/65/82/562646582.db2.gz YANGEESWIGIKOP-UUWRZZSWSA-N 2 0 641.300 7.773 1 0 investigational KKAFRP COc1c(OC)c2c(c(CC[NH+](C)C)c1SC)Sc1c(CC[NH+](C)C)c(SC)c(OC)c(OC)c1S2 ZINC000044018545 562651538 /nfs/dbraw/zinc/65/15/38/562651538.db2.gz RKXCFLRMPUNAQQ-UHFFFAOYSA-N 2 0 570.868 5.989 1 0 KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652389 /nfs/dbraw/zinc/65/23/89/562652389.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 2 0 564.774 6.259 1 0 in-vivo KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CCCC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000044305230 562653380 /nfs/dbraw/zinc/65/33/80/562653380.db2.gz JNTCRFXUAJQADD-UHFFFAOYSA-N 2 0 554.739 6.015 1 0 KKAFRP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000044351735 562654795 /nfs/dbraw/zinc/65/47/95/562654795.db2.gz NXSCWSXZIHLCCS-UWPCBWMYSA-N 2 0 578.801 6.864 1 0 KKAFRP CSCCC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@@H]([NH3+])CC(C)C)CC1 ZINC000044387780 562656178 /nfs/dbraw/zinc/65/61/78/562656178.db2.gz ZYMBKUCZHDGLGX-IZZNHLLZSA-N 2 0 551.628 5.642 1 0 KKAFRP COc1cccc2cc(C[NH2+]CCCCCC[NH2+]Cc3cc4cccc(OC)c4cc3OC)c(OC)cc21 ZINC000045193881 562658763 /nfs/dbraw/zinc/65/87/63/562658763.db2.gz IBJHGZBNLVGFES-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP c1cc(C2=[NH+][C@H]3CCCC[C@H]3N2)ccc1OCCCCCOc1ccc(C2=[NH+][C@H]3CCCC[C@H]3N2)cc1 ZINC000045227891 562659394 /nfs/dbraw/zinc/65/93/94/562659394.db2.gz GNKDQOCCBGUANW-FXCIUYFGSA-N 2 0 500.687 5.637 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]C4CCCC4)cc3)c2)C(=O)CCC2CCCC2)CC1 ZINC000045228381 562659472 /nfs/dbraw/zinc/65/94/72/562659472.db2.gz DKXWMSUOLJDOQF-UHFFFAOYSA-N 2 0 544.828 6.322 1 0 KKAFRP COc1ccc2c(ccc(C[NH2+]CCCCCC[NH2+]Cc3ccc4cc(OC)ccc4c3OC)c2OC)c1 ZINC000045228337 562659505 /nfs/dbraw/zinc/65/95/05/562659505.db2.gz OXHPEFZLDHGSNX-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP CC(=O)N(Cc1cccc(-c2cccc(C[NH2+]CCc3ccccc3)c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000045302574 562660687 /nfs/dbraw/zinc/66/06/87/562660687.db2.gz AQWMXFQHHVVSHC-UHFFFAOYSA-N 2 0 531.744 6.699 1 0 KKAFRP C[NH+](C)CCOc1ccc(NC(=O)OC[C@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000045366544 562662119 /nfs/dbraw/zinc/66/21/19/562662119.db2.gz DLXQMELVHFKJOP-DEOSSOPVSA-N 2 0 518.639 5.495 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000048307284 562662871 /nfs/dbraw/zinc/66/28/71/562662871.db2.gz OYVRVYNBIGOURF-UHFFFAOYSA-N 2 0 666.866 7.791 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(C[N@@H+]5CCN(c6cccc(C)c6)C[C@H]5C)cc4)CC3)c2c1 ZINC000048307370 562663060 /nfs/dbraw/zinc/66/30/60/562663060.db2.gz BHJFUMAOFFPDFT-YHZWMNSLSA-N 2 0 607.799 5.190 1 0 KKAFRP CCC[N@H+](CCC[NH+](C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 562663879 /nfs/dbraw/zinc/66/38/79/562663879.db2.gz XOJOTGJAUPIDAC-RUZDIDTESA-N 3 0 511.759 6.709 1 0 KKAFRP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](CCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067590 562663988 /nfs/dbraw/zinc/66/39/88/562663988.db2.gz WHPDQMKLUXKLEA-SSEXGKCCSA-N 2 0 502.666 5.765 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1cccc(-c2cccc(C[NH2+]CCc3ccccc3)c2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049604990 562665185 /nfs/dbraw/zinc/66/51/85/562665185.db2.gz ZQJUAWWWVKOSMN-UHFFFAOYSA-N 2 0 608.830 8.385 1 0 KKAFRP FC(F)(F)COc1c(C[NH2+]CCCCCC[NH2+]Cc2ccc3ccccc3c2OCC(F)(F)F)ccc2ccccc21 ZINC000049605282 562665608 /nfs/dbraw/zinc/66/56/08/562665608.db2.gz FFXRWLFSERFNOU-UHFFFAOYSA-N 2 0 592.624 8.315 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605385 562665823 /nfs/dbraw/zinc/66/58/23/562665823.db2.gz HNSGUCXPDVWMRV-MNNSJKJDSA-N 2 0 562.076 5.814 1 0 KKAFRP O=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626745 562667314 /nfs/dbraw/zinc/66/73/14/562667314.db2.gz TUODMOQBZUIRNU-UHFFFAOYSA-N 2 0 665.882 8.250 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000049626674 562667328 /nfs/dbraw/zinc/66/73/28/562667328.db2.gz JYNDMWCVGRRWML-UHFFFAOYSA-N 2 0 618.851 6.925 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)CCCCC[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049627064 562667531 /nfs/dbraw/zinc/66/75/31/562667531.db2.gz ZDQZRHIAICGCCU-IZZNHLLZSA-N 2 0 568.633 7.867 1 0 KKAFRP C[C@@H]1C[C@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8C[C@H](C)C[C@H](C)C8)ccc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000049677858 562668363 /nfs/dbraw/zinc/66/83/63/562668363.db2.gz YOTKYPMFBCPZTK-KMKVIZFGSA-N 2 0 678.885 9.172 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1cccc(-c2ccc(C[NH2+]C3CCCC3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049722513 562672139 /nfs/dbraw/zinc/67/21/39/562672139.db2.gz IMCOXGSYXNYFBP-UHFFFAOYSA-N 2 0 578.845 7.895 1 0 KKAFRP CCCCOc1cc(OC)c2ccccc2c1CC[NH2+]CCCC[NH2+]CCc1c(OCCCC)cc(OC)c2ccccc21 ZINC000049722647 562672348 /nfs/dbraw/zinc/67/23/48/562672348.db2.gz AVBCVJLMNMVXKP-UHFFFAOYSA-N 2 0 600.844 8.113 1 0 KKAFRP O=C(Nc1ccc(Oc2ccccc2)cc1)N(CC[NH+]1CCCC1)Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC000049722761 562672499 /nfs/dbraw/zinc/67/24/99/562672499.db2.gz ZWYWGTZZIFDHJB-UHFFFAOYSA-N 2 0 589.784 6.681 1 0 KKAFRP FC(F)(F)COc1ccc(CC[NH2+]CCCC[NH2+]CCc2ccc(OCC(F)(F)F)c3ccccc23)c2ccccc12 ZINC000049723303 562673198 /nfs/dbraw/zinc/67/31/98/562673198.db2.gz OTYNUIMUSWOTKD-UHFFFAOYSA-N 2 0 592.624 7.620 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000049745498 562673911 /nfs/dbraw/zinc/67/39/11/562673911.db2.gz BUHIRWAXBSXCMW-UHFFFAOYSA-N 2 0 560.786 7.798 1 0 KKAFRP CC(C)c1ccc(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@H](CC(=O)c2ccc(C(C)C)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746162 562674304 /nfs/dbraw/zinc/67/43/04/562674304.db2.gz PIQAJRNFDVDTPE-NCRNUEESSA-N 2 0 730.994 9.314 1 0 KKAFRP Cc1ccc(C)c(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2cc(C)ccc2C)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000049746152 562674312 /nfs/dbraw/zinc/67/43/12/562674312.db2.gz UTCQLOUOUVXDCL-LQDDJWCHSA-N 2 0 702.940 8.300 1 0 KKAFRP C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049746951 562674667 /nfs/dbraw/zinc/67/46/67/562674667.db2.gz HMUKMFSLLRDOBR-FTJBHMTQSA-N 2 0 624.678 7.321 1 0 KKAFRP C[NH+]1CCN(Cc2ccc(NC(=O)OC[C@@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762225 562676405 /nfs/dbraw/zinc/67/64/05/562676405.db2.gz BNADKFGPICFCAD-AREMUKBSSA-N 2 0 543.693 5.302 1 0 KKAFRP CC(C)(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771665 562678280 /nfs/dbraw/zinc/67/82/80/562678280.db2.gz DQFXAHSDICSTPD-UPDQMOMGSA-N 2 0 647.908 7.840 1 0 KKAFRP CCCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771667 562678289 /nfs/dbraw/zinc/67/82/89/562678289.db2.gz FIDKUWYSRPPSGC-ADHKUKJBSA-N 2 0 675.962 8.765 1 0 KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CCCCCCCCCCCC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000049776277 562679335 /nfs/dbraw/zinc/67/93/35/562679335.db2.gz BQCCESCADFCCQW-UHFFFAOYSA-N 2 0 666.955 9.136 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)[NH2+]2)CC1 ZINC000049778356 562681218 /nfs/dbraw/zinc/68/12/18/562681218.db2.gz HEILVIDOVAHKRM-SXLOSVNLSA-N 2 0 648.267 5.183 1 0 KKAFRP C[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](C)[NH3+])c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049778351 562681251 /nfs/dbraw/zinc/68/12/51/562681251.db2.gz OUTNYNQSKKGABP-FGZHOGPDSA-N 4 0 751.036 5.459 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=[NH2+] ZINC000049780515 562681782 /nfs/dbraw/zinc/68/17/82/562681782.db2.gz RFAPAGLZKXSKCD-ZQWQDMLBSA-N 3 0 631.913 5.867 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000049808291 562686643 /nfs/dbraw/zinc/68/66/43/562686643.db2.gz CIZPSODVAFXITO-LHEWISCISA-N 2 0 681.947 6.720 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049817535 562686822 /nfs/dbraw/zinc/68/68/22/562686822.db2.gz ZHNVEXZKXNWTHM-KIORWJHZSA-N 3 0 725.911 7.980 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccc(NC(=O)CC[NH+]5CCCC5)c4)cc3)cc2)c1 ZINC000049823243 562687112 /nfs/dbraw/zinc/68/71/12/562687112.db2.gz PGDCSNHCYLJIIM-UHFFFAOYSA-N 2 0 730.870 6.684 1 0 KKAFRP C[NH+](C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841451 562688370 /nfs/dbraw/zinc/68/83/70/562688370.db2.gz VGPHGBKROHTXGE-UHFFFAOYSA-N 2 0 650.835 6.449 1 0 KKAFRP CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCC[NH+]3C)c3ccccc23)C1 ZINC000049917892 562694054 /nfs/dbraw/zinc/69/40/54/562694054.db2.gz MKVLXLJEYVNCLW-QYDYLWNGSA-N 2 0 612.840 6.063 1 0 KKAFRP Cc1cccc(NC(=O)c2ccc(CNC(=O)CCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c3ccccc3)c3ccccc3)cc2)c1 ZINC000049918040 562694361 /nfs/dbraw/zinc/69/43/61/562694361.db2.gz SFEXLYMBWLEXHL-UHFFFAOYSA-N 2 0 717.999 7.892 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)NCc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049918191 562694626 /nfs/dbraw/zinc/69/46/26/562694626.db2.gz MVLHSUZWHPZITR-RRPNLBNLSA-N 2 0 602.650 7.450 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)c4ccc(C[N@@H+]5CCN(c6cccc(C)c6)C[C@@H]5C)cc4)CC3)c2c1 ZINC000058582924 562700038 /nfs/dbraw/zinc/70/00/38/562700038.db2.gz BHJFUMAOFFPDFT-WMELESEDSA-N 2 0 607.799 5.190 1 0 KKAFRP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000058598786 562700762 /nfs/dbraw/zinc/70/07/62/562700762.db2.gz DOVNDOSDULTCGE-NPLMNSEMSA-N 2 0 624.821 5.213 1 0 KKAFRP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685409 562701539 /nfs/dbraw/zinc/70/15/39/562701539.db2.gz RMUPNRJFGFALOJ-ZEWQTRQVSA-N 3 0 685.846 7.200 1 0 KKAFRP CC1(C)C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@](C)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059686684 562702135 /nfs/dbraw/zinc/70/21/35/562702135.db2.gz QOVZCEMZNPLLEY-LBHUVFDKSA-N 2 0 602.868 5.499 1 0 KKAFRP COc1ccc(C(=[NH2+])NCCCCCCCCCCCCNC(=[NH2+])c2ccc(OC)c(OC)c2)cc1OC ZINC000064539517 562707558 /nfs/dbraw/zinc/70/75/58/562707558.db2.gz UFKJSOFWZIQZJX-UHFFFAOYSA-N 2 0 526.722 6.152 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066065957 562709224 /nfs/dbraw/zinc/70/92/24/562709224.db2.gz KXDZFZWHYIWOHI-XIFFEERXSA-N 2 0 612.771 6.187 1 0 KKAFRP CC(C)(c1ccc(NC(=O)C[NH+]2CCCC2)cc1)c1ccc(C(C)(C)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000066066561 562709449 /nfs/dbraw/zinc/70/94/49/562709449.db2.gz URVBAAUQHXMRHC-UHFFFAOYSA-N 2 0 566.790 6.407 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066077237 562710274 /nfs/dbraw/zinc/71/02/74/562710274.db2.gz OXHFCAMGABAVGJ-XIFFEERXSA-N 2 0 606.815 6.000 1 0 KKAFRP CC(C)(c1ccc(NC(=O)C[NH+]2CCCC2)cc1)c1cccc(C(C)(C)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)c1 ZINC000066098036 562710868 /nfs/dbraw/zinc/71/08/68/562710868.db2.gz ZZMIUFDQXILGIZ-UHFFFAOYSA-N 2 0 566.790 6.407 1 0 KKAFRP CC(C)[C@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066102907 562711507 /nfs/dbraw/zinc/71/15/07/562711507.db2.gz FUXHIPGFKSLPTJ-RACKDBBVSA-N 3 0 563.879 5.264 3 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104360 562711690 /nfs/dbraw/zinc/71/16/90/562711690.db2.gz VZDMPXBUIWEQHN-UUWRZZSWSA-N 2 0 620.842 6.043 1 0 KKAFRP C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066123404 562712440 /nfs/dbraw/zinc/71/24/40/562712440.db2.gz LJMVLBUUPQXAJD-JWDVHEBFSA-N 3 0 583.869 5.215 3 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@H+](CCCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000068087725 562715741 /nfs/dbraw/zinc/71/57/41/562715741.db2.gz QLOCEFPHCAKSLE-PGUFJCEWSA-N 2 0 655.327 8.336 1 0 KKAFRP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C ZINC000068087687 562715743 /nfs/dbraw/zinc/71/57/43/562715743.db2.gz TZASHOBYSUICIA-WGYIJZORSA-N 2 0 705.940 7.848 1 0 KKAFRP [NH3+]CCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1OC(=O)c1cc2ccccc2cc1OCCC[NH3+] ZINC000068203305 562715986 /nfs/dbraw/zinc/71/59/86/562715986.db2.gz AIPZUMFOUJCOBM-UHFFFAOYSA-N 2 0 598.099 6.573 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(O)cc2)nn1C[C@H]1CCC[N@@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000071319156 562718739 /nfs/dbraw/zinc/71/87/39/562718739.db2.gz IMKMPTLRTHMERW-MGBGTMOVSA-N 2 0 622.854 6.825 1 0 KKAFRP S=C(NCCC[NH2+]CCCCCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000072104793 562720623 /nfs/dbraw/zinc/72/06/23/562720623.db2.gz MPRZKNODUWCNAA-UHFFFAOYSA-N 2 0 681.032 7.014 1 0 KKAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000072118249 562723437 /nfs/dbraw/zinc/72/34/37/562723437.db2.gz OYCHJCLVGXOSOL-DEOSSOPVSA-N 2 0 575.557 6.639 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCC[N@H+](C)CC1)nc2NC1CC[NH+](C2CCCCC2)CC1 ZINC000072118184 562723460 /nfs/dbraw/zinc/72/34/60/562723460.db2.gz IIMUZXZNXNSSBG-UHFFFAOYSA-N 3 0 593.861 5.244 1 0 KKAFRP CC[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147672 562729801 /nfs/dbraw/zinc/72/98/01/562729801.db2.gz KXNILSUQHBEFOR-IHLOFXLRSA-N 2 0 659.098 7.449 1 0 KKAFRP CC[NH+](CC)CCCc1cc(CCCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1Cl ZINC000073196676 562735153 /nfs/dbraw/zinc/73/51/53/562735153.db2.gz YHNTXMADPCPYPH-SJHOIFEDSA-N 2 0 618.209 5.998 1 0 KKAFRP c1ccc(COc2ccc(C[NH2+]CCCCCCCCCC[NH2+]Cc3ccc(OCc4ccccc4)cc3)cc2)cc1 ZINC000073199829 562736050 /nfs/dbraw/zinc/73/60/50/562736050.db2.gz FLFYOVZBXIRXQE-UHFFFAOYSA-N 2 0 564.814 8.845 1 0 KKAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084603246 562744126 /nfs/dbraw/zinc/74/41/26/562744126.db2.gz KDTJORYHBNCAEH-UHFFFAOYSA-N 2 0 564.778 6.124 1 0 KKAFRP NC(=[NH2+])c1cccc(C2CCN(C(=O)c3cccc(CCCCc4cccc(C(=O)N5CCC(c6cccc(C(N)=[NH2+])c6)CC5)c4)c3)CC2)c1 ZINC000084618047 562745024 /nfs/dbraw/zinc/74/50/24/562745024.db2.gz LBELZFIPFWYWNB-UHFFFAOYSA-N 2 0 668.886 6.860 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccncc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084653370 562746823 /nfs/dbraw/zinc/74/68/23/562746823.db2.gz ZCPUOMYHGVBIQD-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2cccnc2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084654879 562747386 /nfs/dbraw/zinc/74/73/86/562747386.db2.gz UTUGYXULTQVXHB-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP Clc1ccc2c(c1)nccc2NC(c1ccccc1)(c1ccc(C[NH+]2CCCC2)c(Cl)c1)c1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000095553758 562761069 /nfs/dbraw/zinc/76/10/69/562761069.db2.gz JSMIBJFABMSSHB-UHFFFAOYSA-N 2 0 656.101 9.791 1 0 KKAFRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@H]([NH3+])CN4C(=O)OCc4ccccc4)cc3)cc2)N(C(=O)OCc2ccccc2)C1 ZINC000095564272 562764259 /nfs/dbraw/zinc/76/42/59/562764259.db2.gz WEQLVWFAGVZPRV-CVLVZWLMSA-N 2 0 702.812 5.211 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095572073 562769282 /nfs/dbraw/zinc/76/92/82/562769282.db2.gz CKRFXXHUTPXEDZ-UHFFFAOYSA-N 2 0 527.738 6.780 1 0 KKAFRP CC[N@H+](CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095574980 562770168 /nfs/dbraw/zinc/77/01/68/562770168.db2.gz JTEVTVVXIIHVBV-UHFFFAOYSA-N 2 0 541.765 7.170 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000095576134 562770515 /nfs/dbraw/zinc/77/05/15/562770515.db2.gz IVJZUABZNFOIQZ-UHFFFAOYSA-N 2 0 646.872 9.513 1 0 KKAFRP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCC[N@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095592328 562775920 /nfs/dbraw/zinc/77/59/20/562775920.db2.gz QZOVWRZQIPGHOQ-UHFFFAOYSA-N 2 0 602.867 7.521 1 0 KKAFRP COCCc1sc[n+](CCCCc2cccc(CCCC[n+]3csc(CCOC)c3C)c2)c1C ZINC000095594793 562776554 /nfs/dbraw/zinc/77/65/54/562776554.db2.gz OPWUPALPXJNHIN-UHFFFAOYSA-N 2 0 502.790 5.425 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccn1 ZINC000095610226 562784280 /nfs/dbraw/zinc/78/42/80/562784280.db2.gz BEWLPDVTVIFJAJ-ZPGRZCPFSA-N 2 0 791.731 6.148 1 0 KKAFRP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095615043 562787027 /nfs/dbraw/zinc/78/70/27/562787027.db2.gz IZCZXQSGSYYKSO-MDOFDWFASA-N 3 0 761.944 8.423 1 0 KKAFRP CC[n+]1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)cc2)c1 ZINC000095882143 562790129 /nfs/dbraw/zinc/79/01/29/562790129.db2.gz GUWDKMRHJPABMV-UHFFFAOYSA-P 2 0 545.643 5.212 1 0 KKAFRP C[n+]1cccc2cc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6c(ccc[n+]6C)c5)cc4)cc3)ccc21 ZINC000095882124 562790137 /nfs/dbraw/zinc/79/01/37/562790137.db2.gz DBSFLOVKZFRCJT-UHFFFAOYSA-P 2 0 567.649 5.399 1 0 KKAFRP COCC[NH+]1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(N6CC[NH+](C)CC6)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000096175773 562792010 /nfs/dbraw/zinc/79/20/10/562792010.db2.gz MGIAEOVHWGNHJW-UHFFFAOYSA-N 2 0 680.801 5.276 1 0 KKAFRP COc1cccc(CN2CC[NH+](C[C@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907753 562799180 /nfs/dbraw/zinc/79/91/80/562799180.db2.gz JIZBSLOZXTWCDC-NXNCUQCYSA-N 2 0 838.891 8.357 1 0 KKAFRP COc1cccc(CN2CC[NH+](C[C@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907754 562799228 /nfs/dbraw/zinc/79/92/28/562799228.db2.gz JIZBSLOZXTWCDC-RLNZFLKDSA-N 2 0 838.891 8.357 1 0 KKAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CC[NH+]3CCCC3)cc2)nc2ccccc21 ZINC000096908890 562799462 /nfs/dbraw/zinc/79/94/62/562799462.db2.gz VBZWPPKBDNETFS-UHFFFAOYSA-N 2 0 600.167 5.991 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096908889 562799469 /nfs/dbraw/zinc/79/94/69/562799469.db2.gz HQLMDJGTYWASMS-UHFFFAOYSA-N 2 0 602.183 6.237 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)[NH2+]C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096917597 562801306 /nfs/dbraw/zinc/80/13/06/562801306.db2.gz CIZNQLQZHULKAK-BIPSGFNESA-N 2 0 571.853 7.916 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922774 562801883 /nfs/dbraw/zinc/80/18/83/562801883.db2.gz RDPRMSCRQQNPFJ-UHFFFAOYSA-N 4 0 694.877 5.594 1 0 KKAFRP C[C@@H](c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](C)c3ccccc3)cc2)cc1 ZINC000096926974 562802462 /nfs/dbraw/zinc/80/24/62/562802462.db2.gz VLZNXMNXKJRQGR-PJBIELPXSA-N 2 0 612.818 8.185 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100034003 562806245 /nfs/dbraw/zinc/80/62/45/562806245.db2.gz IYIDBWPTUDDXMP-MTKDXCPMSA-N 2 0 602.820 6.497 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000100043227 562806321 /nfs/dbraw/zinc/80/63/21/562806321.db2.gz RUWSRYAWUBPMPO-IQKFOVTFSA-N 2 0 560.695 5.499 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4cccc(Cl)c4)CC3)c2)C1C(=O)OC ZINC000100058444 562806482 /nfs/dbraw/zinc/80/64/82/562806482.db2.gz IKCFQTJZXOQWND-NPAJZZOTSA-N 2 0 596.128 5.141 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1 ZINC000103251704 562820375 /nfs/dbraw/zinc/82/03/75/562820375.db2.gz XDQXQLGRBQNRHS-VJUQQTGUSA-N 2 0 571.858 6.019 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000103251707 562820385 /nfs/dbraw/zinc/82/03/85/562820385.db2.gz XDQXQLGRBQNRHS-FBVYBBNNSA-N 2 0 571.858 6.019 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=[NH2+])N1CCc1cccc(F)c1 ZINC000103251676 562820394 /nfs/dbraw/zinc/82/03/94/562820394.db2.gz KETHCTYCUDJRDS-IOWSJCHKSA-N 2 0 619.627 5.916 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000103262577 562821635 /nfs/dbraw/zinc/82/16/35/562821635.db2.gz KVCFSMWUAOERAX-UHFFFAOYSA-N 2 0 521.108 6.513 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000103262579 562821643 /nfs/dbraw/zinc/82/16/43/562821643.db2.gz NMMZAGGRXUCXES-UHFFFAOYSA-N 2 0 549.162 6.631 1 0 KKAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114979144 562828568 /nfs/dbraw/zinc/82/85/68/562828568.db2.gz MPWIOTFPHONUMI-YTTGMZPUSA-N 2 0 594.221 5.612 1 0 KKAFRP O=C1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885486 562831101 /nfs/dbraw/zinc/83/11/01/562831101.db2.gz IGFCCVGOXSJNQX-BHVANESWSA-N 2 0 558.766 6.369 1 0 KKAFRP O[C@H]1CC[N@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885550 562831114 /nfs/dbraw/zinc/83/11/14/562831114.db2.gz XISVXJWNLOWHCO-AARKOHAPSA-N 2 0 560.782 6.160 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)C[NH2+]C(C)(C)C)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144525661 562836354 /nfs/dbraw/zinc/83/63/54/562836354.db2.gz FNTKIGXRRNDBFK-PYSFBUAXSA-N 2 0 607.598 5.138 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H]2CC[C@H]([NH3+])C2)[C@H](c2cccc(Cl)c2F)[C@]12c1cc(F)c(Cl)cc1NC2=O ZINC000147021806 562839037 /nfs/dbraw/zinc/83/90/37/562839037.db2.gz XLNRKVVOIJBASQ-YZLIUWOKSA-N 2 0 593.546 5.656 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1ccncc1 ZINC000150351788 562843251 /nfs/dbraw/zinc/84/32/51/562843251.db2.gz JLDXHAUSADAHOL-WNKBNXJDSA-N 2 0 678.918 8.086 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](CCCCC)C1C(=O)OCCCc1ccccn1 ZINC000150351832 562843254 /nfs/dbraw/zinc/84/32/54/562843254.db2.gz DEQWYFQOFSBLFO-WNKBNXJDSA-N 2 0 678.918 8.086 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1ccncc1 ZINC000150351790 562843258 /nfs/dbraw/zinc/84/32/58/562843258.db2.gz JLDXHAUSADAHOL-BNMQLMAQSA-N 2 0 678.918 8.086 1 0 KKAFRP O=C([C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524262 562843653 /nfs/dbraw/zinc/84/36/53/562843653.db2.gz XOWSSUSVVZAUSO-HEVIKAOCSA-N 2 0 717.786 6.115 1 0 KKAFRP CCCC[NH+](CCCC)C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[NH+](CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559785 562844849 /nfs/dbraw/zinc/84/48/49/562844849.db2.gz XILSMSISXMCKEO-KYJUHHDHSA-N 2 0 914.497 10.346 1 0 KKAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl ZINC000163093118 562849310 /nfs/dbraw/zinc/84/93/10/562849310.db2.gz LOCRWCHVWSBTGW-DHUJRADRSA-N 2 0 710.231 6.419 1 0 KKAFRP C[C@@H](Cc1cccc(NC(=O)CCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000163608237 562849386 /nfs/dbraw/zinc/84/93/86/562849386.db2.gz LUGDEMWQBDECKF-BMWXWXOGSA-N 2 0 802.973 6.435 1 0 KKAFRP CN(CCCCC(=O)Nc1ccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163643649 562849405 /nfs/dbraw/zinc/84/94/05/562849405.db2.gz MNNPZOILVIICPF-RWYGWLOXSA-N 2 0 802.973 6.437 1 0 KKAFRP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[NH+](CC6CC[NH+](C)CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165275631 562849997 /nfs/dbraw/zinc/84/99/97/562849997.db2.gz UPKYYVVGGHRRGU-UHFFFAOYSA-N 2 0 649.722 5.215 1 0 KKAFRP COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[NH+](CC5CC[NH+](C)CC5)CC4)nc32)c1 ZINC000165275384 562850036 /nfs/dbraw/zinc/85/00/36/562850036.db2.gz ZKEAQCPXPQRYLL-UHFFFAOYSA-N 2 0 649.722 5.215 1 0 KKAFRP COc1ccc(CNC(=O)C[C@@H]2c3ccccc3[NH+]=C(N(C)CCCCCC[NH+](C)C)N2c2ccc3ccccc3c2)cc1 ZINC000169307066 562853706 /nfs/dbraw/zinc/85/37/06/562853706.db2.gz UHSZBGURGQNOEP-PGUFJCEWSA-N 2 0 591.800 7.158 1 0 KKAFRP COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)n1 ZINC000169310612 562854868 /nfs/dbraw/zinc/85/48/68/562854868.db2.gz SQVQPFVHUAQBBA-UHFFFAOYSA-N 2 0 580.133 5.241 1 0 KKAFRP CC[C@@H]1C[NH+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CC[N@H+]6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169318829 562856131 /nfs/dbraw/zinc/85/61/31/562856131.db2.gz GGSYKGUIQXQSOF-OIYPNHHMSA-N 2 0 618.866 5.643 1 0 KKAFRP CC(C)([NH3+])COc1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 ZINC000169326260 562857725 /nfs/dbraw/zinc/85/77/25/562857725.db2.gz HJLOLWXGFOKVSM-HKBQPEDESA-N 2 0 578.713 5.626 1 0 KKAFRP C[C@H]1C=C(CCCCCCC[C@H](O)C[NH+](C)CCC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000169349363 562862498 /nfs/dbraw/zinc/86/24/98/562862498.db2.gz DUVCBEMHQGRCPF-FXZOGHEHSA-N 2 0 578.835 5.167 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)c2)cc1 ZINC000169353143 562863376 /nfs/dbraw/zinc/86/33/76/562863376.db2.gz TZEQURTUCFGROG-SIKLNZKXSA-N 2 0 511.626 5.492 1 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c1 ZINC000221588997 562879086 /nfs/dbraw/zinc/87/90/86/562879086.db2.gz ZHVZSKZRPGTWQL-XDZVQPMWSA-N 4 0 514.803 5.058 1 0 KKAFRP CC[NH+](CC)CCN1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(-c5csc(C6CC[NH2+]CC6)n5)cc43)c(C)c2C1=O ZINC000221965901 562879413 /nfs/dbraw/zinc/87/94/13/562879413.db2.gz RQGLOIHPDRXODA-MOHJPFBDSA-N 2 0 572.779 5.137 1 0 KKAFRP CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CC[NH+](CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299826155 562883779 /nfs/dbraw/zinc/88/37/79/562883779.db2.gz FNCJWKNHUAURLL-UHFFFAOYSA-N 2 0 649.990 8.399 1 0 KKAFRP CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[NH+]2C[C@@H](CCO)[C@@H]6C[C@H]21 ZINC000299827879 562884263 /nfs/dbraw/zinc/88/42/63/562884263.db2.gz QAVRQLXVMMTXOP-RNRDQSGXSA-N 2 0 572.797 5.261 1 0 KKAFRP C[C@@H]1[NH2+][C@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833143 562886114 /nfs/dbraw/zinc/88/61/14/562886114.db2.gz HSQBZWURRKNSMR-LGGPFLRQSA-N 2 0 509.698 5.959 1 0 KKAFRP COc1cc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299855598 562891712 /nfs/dbraw/zinc/89/17/12/562891712.db2.gz AYCMGWISFMUMQW-DHUJRADRSA-N 2 0 705.812 6.187 1 0 KKAFRP Cc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1N(C)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000299869733 562895373 /nfs/dbraw/zinc/89/53/73/562895373.db2.gz VIJLXHRRASBMEY-QNGWXLTQSA-N 2 0 703.840 6.511 1 0 KKAFRP COc1ccc(C[NH2+]C[C@H](O)CN2CN(c3ccccc3)C3(CC[NH+](CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 ZINC000299870184 562895444 /nfs/dbraw/zinc/89/54/44/562895444.db2.gz VZCPVUYGEXPLKF-HKBQPEDESA-N 2 0 610.824 5.258 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(CCCCCCCCCCN2C=C1)c1ccccc13 ZINC000377482984 562895899 /nfs/dbraw/zinc/89/58/99/562895899.db2.gz FYFABISZPRODDF-UHFFFAOYSA-N 2 0 564.862 9.888 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)-c3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc(cc4)-c4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377808483 562896010 /nfs/dbraw/zinc/89/60/10/562896010.db2.gz ZZOSMVRIXIVHPH-UHFFFAOYSA-N 2 0 644.822 10.380 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4ccc(cc4)Cc4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377820358 562896178 /nfs/dbraw/zinc/89/61/78/562896178.db2.gz SXDHPHPRCINSFL-UHFFFAOYSA-N 2 0 618.869 10.058 1 0 KKAFRP FC(F)(F)Oc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(OC(F)(F)F)cc13 ZINC000377846418 562896371 /nfs/dbraw/zinc/89/63/71/562896371.db2.gz DPXCGALZLHWSDO-UHFFFAOYSA-N 2 0 660.618 8.844 1 0 KKAFRP CCN(c1cc(-c2ccc(N3CC[NH+](C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245112 562904915 /nfs/dbraw/zinc/90/49/15/562904915.db2.gz VIAIEQMSVTZQEI-WXUXXXNLSA-N 2 0 613.851 5.155 1 0 KKAFRP C[C@@H](COC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC[C@H](C)[NH+](C)C)cc3)nc(Oc3ccc(C(=O)OC[C@H](C)[NH+](C)C)cc3)n2)cc1)[NH+](C)C ZINC000653747709 562910527 /nfs/dbraw/zinc/91/05/27/562910527.db2.gz WYCXGHBIJHDQCV-QKDODKLFSA-N 3 0 744.846 5.569 1 0 KKAFRP COc1cccc2cc(C[NH+](CCCCCCNc3c4c([nH+]c5ccccc53)CCC4)Cc3cc4cccc(OC)c4o3)oc21 ZINC000653764378 562911555 /nfs/dbraw/zinc/91/15/55/562911555.db2.gz TYNDGSBNGKLNDC-UHFFFAOYSA-N 2 0 603.763 8.330 1 0 KKAFRP C[C@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@@H](C)CC4)c2C1 ZINC000653907644 562917665 /nfs/dbraw/zinc/91/76/65/562917665.db2.gz WFTOWPHCMOXYKS-VXKWHMMOSA-N 2 0 575.628 8.268 1 0 KKAFRP CCO[C@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@@H](OCC)CC4)c2C1 ZINC000653913888 562917782 /nfs/dbraw/zinc/91/77/82/562917782.db2.gz OQYUUFBXSSRQOH-VMPREFPWSA-N 2 0 677.761 8.976 1 0 KKAFRP C[NH+](C)CCOc1ncc(Nc2cc(N3CC[C@@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc32)cc1F ZINC000653915596 562917858 /nfs/dbraw/zinc/91/78/58/562917858.db2.gz AZLINZKGCNELEI-QGZVFWFLSA-N 2 0 542.005 6.378 1 0 KKAFRP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000084668877 565122432 /nfs/dbraw/zinc/12/24/32/565122432.db2.gz ODCYIKWOTVSPKB-IHLOFXLRSA-N 2 0 622.762 6.743 1 0 biogenic,in-vitro KKAFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000085507925 565132294 /nfs/dbraw/zinc/13/22/94/565132294.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 2 0 608.735 6.859 1 0 biogenic,in-vitro KKAFRP CC[NH2+]COc1cc(OC)c2c3c1[C@H](C[NH2+]C1CCCCC1)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567502 291940642 /nfs/dbraw/zinc/94/06/42/291940642.db2.gz CKMPQGWGTADUIG-IFHXEKIQSA-N 2 0 645.797 5.728 1 0 biogenic,in-vitro KKAFRP Cc1sc2c(cc(Cl)cc2Cl)c1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000001494078 561676457 /nfs/dbraw/zinc/67/64/57/561676457.db2.gz CDCONTWJOGMNAX-UHFFFAOYSA-N 2 0 507.468 5.275 1 0 KKAFRP c1ccc(N(c2ccccc2)c2ccc(C[NH2+]CCCC[NH2+]Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1 ZINC000003963579 561691245 /nfs/dbraw/zinc/69/12/45/561691245.db2.gz AOXYPJCPQVRSPI-UHFFFAOYSA-N 2 0 602.826 10.286 1 0 KKAFRP [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CC[NH+](C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000003979814 561692351 /nfs/dbraw/zinc/69/23/51/561692351.db2.gz AAPRNHKWNGDTOT-DSDVGVRMSA-N 2 0 584.805 5.986 1 0 KKAFRP CC[NH+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013612196 561721966 /nfs/dbraw/zinc/72/19/66/561721966.db2.gz JFRYPNLJVPMTIS-UHFFFAOYSA-N 3 0 521.753 7.167 1 0 KKAFRP C[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCSc1c2ccccc2nc2c1CCCC2 ZINC000013612214 561721994 /nfs/dbraw/zinc/72/19/94/561721994.db2.gz IIQODJRESHGVGO-UHFFFAOYSA-N 2 0 524.778 7.457 1 0 KKAFRP CN(C)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)C)c5ccccc54)c3)c2)c2ccccc12 ZINC000013643624 561722442 /nfs/dbraw/zinc/72/24/42/561722442.db2.gz DKNDWHNPXWHTKH-UHFFFAOYSA-N 2 0 524.712 6.464 1 0 in-vivo KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@H]3CCCC[NH2+]3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780303 561729022 /nfs/dbraw/zinc/72/90/22/561729022.db2.gz VPLRZVPDJKVALG-LADGPHEKSA-N 2 0 511.110 5.960 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000014946310 561743489 /nfs/dbraw/zinc/74/34/89/561743489.db2.gz UAGMFLGLVVWYFR-UHFFFAOYSA-N 2 0 561.601 9.322 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(c(O)c1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000017611838 561757094 /nfs/dbraw/zinc/75/70/94/561757094.db2.gz JEKDOWMTUCHNIR-KYJUHHDHSA-N 2 0 608.735 6.859 1 0 aggregator KKAFRP CC[NH+](CC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000023247614 561761361 /nfs/dbraw/zinc/76/13/61/561761361.db2.gz TYSIODYUHDFTRK-GKRYNVPLSA-N 2 0 532.764 5.214 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026396423 561787056 /nfs/dbraw/zinc/78/70/56/561787056.db2.gz UHKHNEASGWWACL-UHFFFAOYSA-N 2 0 540.729 6.749 1 0 KKAFRP c1c2ccccc2n(Cc2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026399381 561787941 /nfs/dbraw/zinc/78/79/41/561787941.db2.gz CNVACRPMAKOBRT-UHFFFAOYSA-N 2 0 509.694 6.306 1 0 KKAFRP Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H]([NH3+])Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026936704 561827511 /nfs/dbraw/zinc/82/75/11/561827511.db2.gz PAHVPEPWQTXJBD-CWTKIQHKSA-N 2 0 689.688 5.268 1 0 KKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(C[NH2+]CCc4cc5ccccc5[nH]4)cc3)c2cc1Cl ZINC000026980032 561831271 /nfs/dbraw/zinc/83/12/71/561831271.db2.gz DZTPVTPDUOPQBW-UHFFFAOYSA-N 2 0 532.519 6.672 1 0 KKAFRP O[C@@H](C[NH2+]CCCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc21 ZINC000027090020 561837071 /nfs/dbraw/zinc/83/70/71/561837071.db2.gz UHJHHXUEKLRVRI-SXQNJKPJSA-N 2 0 617.762 6.110 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)nc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027091893 561837335 /nfs/dbraw/zinc/83/73/35/561837335.db2.gz ZNYDDOLPVCQTEB-UHFFFAOYSA-N 2 0 541.717 6.144 1 0 KKAFRP NC(=O)c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027102613 561839098 /nfs/dbraw/zinc/83/90/98/561839098.db2.gz YIERRYAWOIXMMQ-UHFFFAOYSA-N 2 0 597.781 6.238 1 0 KKAFRP O=C(C[NH2+]C1CCCCCC1)Nc1nc2cc3nc(NC(=O)C[NH2+]C4CCCCCC4)sc3cc2s1 ZINC000027181976 561841910 /nfs/dbraw/zinc/84/19/10/561841910.db2.gz QMYZPXXGUKGNNE-UHFFFAOYSA-N 2 0 528.748 5.408 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)C1C(=O)OC ZINC000027209310 561846695 /nfs/dbraw/zinc/84/66/95/561846695.db2.gz BCRJYBZKKYLRPH-GTPRLXIXSA-N 2 0 644.600 6.138 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027210069 561846935 /nfs/dbraw/zinc/84/69/35/561846935.db2.gz RUWSRYAWUBPMPO-SLPYKNDMSA-N 2 0 560.695 5.499 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000027298337 561848617 /nfs/dbraw/zinc/84/86/17/561848617.db2.gz GRXSDRJYYRPFLB-IQKFOVTFSA-N 2 0 576.694 5.205 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2ccc(/C=C/C(=O)NCCCC[NH+]3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000027308979 561850355 /nfs/dbraw/zinc/85/03/55/561850355.db2.gz ICGNIALTNZWGJF-FLFKKZLDSA-N 2 0 708.948 5.167 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027440594 561860673 /nfs/dbraw/zinc/86/06/73/561860673.db2.gz VFTBMHHOSKDGPC-VWLOTQADSA-N 2 0 541.580 6.075 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517538 561861293 /nfs/dbraw/zinc/86/12/93/561861293.db2.gz SIRMQLLMKUZYMJ-XZWHSSHBSA-N 2 0 609.699 7.382 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526620 561866399 /nfs/dbraw/zinc/86/63/99/561866399.db2.gz HXUMKMQRTFHLCC-LJAQVGFWSA-N 2 0 577.638 7.256 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027547128 561867078 /nfs/dbraw/zinc/86/70/78/561867078.db2.gz ZOBKHHUMXIJHCW-LJAQVGFWSA-N 2 0 567.677 5.564 1 0 KKAFRP CC[NH+](CC)CCCCCCCCCCCCNc1cc[nH+]c2cc(I)ccc12 ZINC000027551369 561868053 /nfs/dbraw/zinc/86/80/53/561868053.db2.gz BJVAGPVZXOXNPO-UHFFFAOYSA-N 2 0 509.520 7.494 1 0 KKAFRP Clc1ccc(C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000027650794 561876605 /nfs/dbraw/zinc/87/66/05/561876605.db2.gz WCDHSWNZABELAC-UHFFFAOYSA-N 3 0 507.594 6.173 1 0 KKAFRP CC(C)CC[NH+]1CCC(CCCn2c3cccc(OCCC[NH+]4CCCCC4)c3nc2COc2ccccc2)CC1 ZINC000027730097 561881317 /nfs/dbraw/zinc/88/13/17/561881317.db2.gz ZYEDUAIORZVGTL-UHFFFAOYSA-N 2 0 560.827 7.408 1 0 KKAFRP Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1O[C@@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000027860484 561886962 /nfs/dbraw/zinc/88/69/62/561886962.db2.gz YOBHJWOWMBSVMO-QZCRLSDHSA-N 2 0 610.864 8.434 1 0 KKAFRP C[N@@H+]1CCCC[C@@H]1COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027868330 561887999 /nfs/dbraw/zinc/88/79/99/561887999.db2.gz DIXISCIHDAFNGJ-MUUNZHRXSA-N 2 0 540.773 7.497 1 0 KKAFRP CC(C)(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028116352 561903803 /nfs/dbraw/zinc/90/38/03/561903803.db2.gz SNGIHLKZTCMMNQ-GDLZYMKVSA-N 2 0 515.708 6.827 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256396 561911527 /nfs/dbraw/zinc/91/15/27/561911527.db2.gz QXXXZTFUFKESQI-KYJUHHDHSA-N 2 0 620.842 6.939 1 0 KKAFRP Clc1cc(Cl)cc(-c2cc[n+](Cc3ccc(-c4ccc(C[n+]5ccc(-c6cc(Cl)cc(Cl)c6)cc5)cc4)cc3)cc2)c1 ZINC000028383792 561920696 /nfs/dbraw/zinc/92/06/96/561920696.db2.gz IFQFJEJYAMAOLB-UHFFFAOYSA-N 2 0 628.430 9.973 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028384429 561920798 /nfs/dbraw/zinc/92/07/98/561920798.db2.gz UEYNPXHRIVDTQZ-BHVANESWSA-N 2 0 659.787 5.586 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028386641 561921201 /nfs/dbraw/zinc/92/12/01/561921201.db2.gz SYHPRKMTOXGCJT-YTTGMZPUSA-N 2 0 688.623 5.195 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028386636 561921205 /nfs/dbraw/zinc/92/12/05/561921205.db2.gz SYHPRKMTOXGCJT-JGCGQSQUSA-N 2 0 688.623 5.195 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000028468038 561926454 /nfs/dbraw/zinc/92/64/54/561926454.db2.gz POSNNZQZGCCFGA-VSJLXWSYSA-N 2 0 531.744 6.380 1 0 KKAFRP Cc1cc(Cl)c2cc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)ccc2n1 ZINC000028455607 561923608 /nfs/dbraw/zinc/92/36/08/561923608.db2.gz AFMIYSIQIPKOSA-BHVANESWSA-N 2 0 709.247 5.942 1 0 KKAFRP CCc1c(C)nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2c1Cl ZINC000028456261 561923845 /nfs/dbraw/zinc/92/38/45/561923845.db2.gz ITVJGPQRNBWHLA-LHEWISCISA-N 2 0 737.301 6.505 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cn2)cc1)C(=O)CCC1CCCC1 ZINC000028468713 561926580 /nfs/dbraw/zinc/92/65/80/561926580.db2.gz VNZHXAMFPMNAKC-UHFFFAOYSA-N 2 0 512.742 5.942 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)C)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000028477439 561928554 /nfs/dbraw/zinc/92/85/54/561928554.db2.gz NREKJLPSUAOOGM-UHFFFAOYSA-N 2 0 621.656 7.889 1 0 in-vivo KKAFRP Cc1c(CCOCCCCCCOCCc2sc[n+](Cc3ccccc3)c2C)sc[n+]1Cc1ccccc1 ZINC000028521283 561929306 /nfs/dbraw/zinc/92/93/06/561929306.db2.gz UKFIXDOTNQDBCZ-UHFFFAOYSA-N 2 0 550.834 6.477 1 0 KKAFRP FC(F)(F)c1ccc([C@@H](C[NH2+]CCc2cc(Cl)cc(Cl)c2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523952 561930638 /nfs/dbraw/zinc/93/06/38/561930638.db2.gz LBQJLYPJBGFFKQ-AREMUKBSSA-N 2 0 528.490 6.836 1 0 KKAFRP CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000028528405 561933009 /nfs/dbraw/zinc/93/30/09/561933009.db2.gz AYCGNXRJKLUATE-SSEXGKCCSA-N 2 0 531.785 5.919 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3cccc(F)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646376 561945121 /nfs/dbraw/zinc/94/51/21/561945121.db2.gz OSBBNXANCGTXBW-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP c1ccc2cc(CCC[NH2+]CCCCCCCCCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028642053 561943554 /nfs/dbraw/zinc/94/35/54/561943554.db2.gz WJLOFGCSOZRFPB-UHFFFAOYSA-N 2 0 508.794 8.858 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000028646289 561944888 /nfs/dbraw/zinc/94/48/88/561944888.db2.gz SFMOJNODHLUPIP-DHUJRADRSA-N 2 0 572.813 6.229 1 0 KKAFRP c1ccc2c(NCCCNc3cc(OCCCNc4cc[nH+]c5ccccc45)cc(OCCCNc4cc[nH+]c5ccccc45)c3)cc[nH+]c2c1 ZINC000028650133 561945953 /nfs/dbraw/zinc/94/59/53/561945953.db2.gz LMDBEORWUFCLSK-UHFFFAOYSA-N 3 0 677.853 9.007 1 0 KKAFRP [NH2+]=C(Nc1ccc(-c2ccc(-c3ccc(NC(=[NH2+])NC4CCCCC4)cc3)s2)cc1)NC1CCCCC1 ZINC000028707673 561950114 /nfs/dbraw/zinc/95/01/14/561950114.db2.gz PPRNOPURLFMFQK-UHFFFAOYSA-N 2 0 514.743 7.620 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714106 561954719 /nfs/dbraw/zinc/95/47/19/561954719.db2.gz UMGQDRKIBLYRBN-UNPBUSPFSA-N 2 0 576.801 5.875 1 0 KKAFRP Cc1ccccc1[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(CCc3ccccc3Cl)[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000028823658 561968332 /nfs/dbraw/zinc/96/83/32/561968332.db2.gz PHVXTQIROLEEDB-URLMMPGGSA-N 2 0 516.129 6.075 1 0 in-vitro KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824068 561968807 /nfs/dbraw/zinc/96/88/07/561968807.db2.gz MWOKFIWZFMODNQ-VJGNERBWSA-N 2 0 565.124 6.177 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CC[NH+](CC(C)C)CC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824142 561969122 /nfs/dbraw/zinc/96/91/22/561969122.db2.gz KTWJIKZJTCIIJJ-MVIDNBQJSA-N 3 0 594.288 5.789 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000028824187 561969309 /nfs/dbraw/zinc/96/93/09/561969309.db2.gz UPSSNSWHMHYASA-UNRZKBSHSA-N 2 0 549.134 5.699 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824188 561969319 /nfs/dbraw/zinc/96/93/19/561969319.db2.gz UPSSNSWHMHYASA-LXQNXJGFSA-N 2 0 549.134 5.699 1 0 KKAFRP Cc1cc(C)c[n+](CCCCCc2cc(CCCCC[n+]3cc(C)cc(C)c3)cc(CCCCC[n+]3cc(C)cc(C)c3)c2)c1 ZINC000028861873 561971822 /nfs/dbraw/zinc/97/18/22/561971822.db2.gz YGWAUUYXRCRNPR-UHFFFAOYSA-N 3 0 606.963 8.639 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCC[NH+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864229 561972786 /nfs/dbraw/zinc/97/27/86/561972786.db2.gz NZSDKYVGCXLJBU-VWLOTQADSA-N 2 0 576.732 5.166 1 0 KKAFRP COc1cc(C(=[NH2+])NC(C)C)cc2cc(CCCCCc3cc4cc(C(=[NH2+])NC(C)C)cc(OC)c4o3)oc21 ZINC000028870153 561974023 /nfs/dbraw/zinc/97/40/23/561974023.db2.gz GTLURDWWMAXEGU-UHFFFAOYSA-N 2 0 532.685 6.798 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]CC4CCCCC4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953636 561982539 /nfs/dbraw/zinc/98/25/39/561982539.db2.gz XBMYHJWJLCMMKN-IHLOFXLRSA-N 2 0 543.240 5.781 1 0 KKAFRP O=C([C@H]1C[N@H+](C2CCCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953898 561982639 /nfs/dbraw/zinc/98/26/39/561982639.db2.gz KDPONUBSAYPEAF-ZWXJPIIXSA-N 2 0 563.230 5.935 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(C(F)(F)F)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953984 561982771 /nfs/dbraw/zinc/98/27/71/561982771.db2.gz YJCRHFHXSRNMBX-IHLOFXLRSA-N 2 0 605.189 6.420 1 0 KKAFRP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c(OC)c1 ZINC000028954003 561982909 /nfs/dbraw/zinc/98/29/09/561982909.db2.gz VEEVBEYBFCDOJP-JSOSNVBQSA-N 2 0 597.244 5.418 1 0 KKAFRP CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3n(CC)c21 ZINC000028970247 561985717 /nfs/dbraw/zinc/98/57/17/561985717.db2.gz ZOZMQOQRAXCUJA-DRVSHGLUSA-N 2 0 620.882 7.748 1 0 in-vivo KKAFRP O=C([C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccncc3)CCCCC2)CC1 ZINC000028953942 561982736 /nfs/dbraw/zinc/98/27/36/561982736.db2.gz RZQPQZNRTRIAIA-SAIUNTKASA-N 2 0 586.224 5.588 1 0 KKAFRP CC(=O)Oc1cccc2c3ccnc(C4=C[C@]5(OC(C)=O)CC/C=C\CCCC[N@@H+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042059 561991299 /nfs/dbraw/zinc/99/12/99/561991299.db2.gz CYJAFXVWQWMEGQ-IENUAVRKSA-N 2 0 648.848 7.352 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@]5(O)CCCCCCCC[N@@H+]6CC[C@H]4[C@@]4(C[C@H]7CCCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042150 561991341 /nfs/dbraw/zinc/99/13/41/561991341.db2.gz BHRFYFSYVSXAIC-PQWDKEBGSA-N 2 0 568.806 7.009 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029130355 562002499 /nfs/dbraw/zinc/00/24/99/562002499.db2.gz VNNQRRDLFVIBEX-PZXMZKPCSA-N 2 0 634.668 5.670 1 0 KKAFRP CC(C)[NH2+]C[C@H](O)COc1ccc(OCCCCCCCCCCOc2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)cc1 ZINC000029322552 562013119 /nfs/dbraw/zinc/01/31/19/562013119.db2.gz LPPYOGREKQQBRB-KYJUHHDHSA-N 2 0 588.830 5.741 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029390738 562017296 /nfs/dbraw/zinc/01/72/96/562017296.db2.gz HEABXBKCOZEPLO-ZRTHHSRSSA-N 2 0 615.690 6.337 1 0 KKAFRP CC(C)N(C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544987 562029452 /nfs/dbraw/zinc/02/94/52/562029452.db2.gz ALUBWPKFZRKPBI-LOYHVIPDSA-N 2 0 526.810 5.401 1 0 KKAFRP CCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)ccc21 ZINC000031460065 562036228 /nfs/dbraw/zinc/03/62/28/562036228.db2.gz MEGFAMLOEVMROT-UHFFFAOYSA-P 2 0 532.688 6.673 1 0 KKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1(C(=O)OC)C[C@@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000034774021 562040409 /nfs/dbraw/zinc/04/04/09/562040409.db2.gz GXLCMIZDIFTAHJ-UDBMDSBLSA-N 2 0 529.769 7.300 1 0 KKAFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000034802953 562042314 /nfs/dbraw/zinc/04/23/14/562042314.db2.gz UHUZETZGBNNICB-JGCGQSQUSA-N 2 0 562.843 6.902 1 0 KKAFRP C[NH+]1CCN(CCCN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C[NH+]5CCCCC5)c4)C[C@@H]3C2)CC1 ZINC000036351734 562059128 /nfs/dbraw/zinc/05/91/28/562059128.db2.gz MHCFNPUPBDQPNI-HBVNVMGMSA-N 2 0 576.780 5.781 1 0 KKAFRP CCn1c2ccc(C(=O)OCCC[NH+](CC)CC)cc2c2cc(C(=O)OCCC[NH+](CC)CC)ccc21 ZINC000039208124 562072824 /nfs/dbraw/zinc/07/28/24/562072824.db2.gz ORUNZCSIGQXYHW-UHFFFAOYSA-N 2 0 509.691 5.592 1 0 KKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040403501 562074737 /nfs/dbraw/zinc/07/47/37/562074737.db2.gz HQPWIOOFNUOPRR-PMERELPUSA-N 2 0 514.758 5.862 1 0 KKAFRP C[N@H+](CCCN1c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040862676 562080903 /nfs/dbraw/zinc/08/09/03/562080903.db2.gz UCQNMJXTWOYVNH-UHFFFAOYSA-N 2 0 536.185 7.720 1 0 in-vitro KKAFRP CCN(C(=O)c1ccccc1)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000042784687 562087714 /nfs/dbraw/zinc/08/77/14/562087714.db2.gz YCGNDFOYUIBXSD-HEVIKAOCSA-N 2 0 622.810 5.488 1 0 KKAFRP CC(=O)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000043063438 562645239 /nfs/dbraw/zinc/64/52/39/562645239.db2.gz HQPISMGZXLHBTG-PKZQBKLLSA-N 2 0 560.774 5.129 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cn4)cc3)nc2c1 ZINC000043075599 562645719 /nfs/dbraw/zinc/64/57/19/562645719.db2.gz CZUYMPZIDJERTC-UHFFFAOYSA-N 2 0 571.689 6.607 1 0 KKAFRP CCc1c(C)c2[nH]c1=Cc1[nH]c(c(CC)c1CC)C=c1[nH]c(c(C)c1CC)=CC1=[NH+][C@@H](C=C1)C(c1ccccc1)=C1C=CC(=[NH+]1)C=2 ZINC000044053339 562651973 /nfs/dbraw/zinc/65/19/73/562651973.db2.gz INLCMQQTJHFEPY-DQLHWQBXSA-N 2 0 605.830 5.871 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000044308261 562654247 /nfs/dbraw/zinc/65/42/47/562654247.db2.gz BIQLCSCFEQRHME-WDYNHAJCSA-N 2 0 608.735 6.820 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cn4)cc3)nc2c1 ZINC000044351468 562654663 /nfs/dbraw/zinc/65/46/63/562654663.db2.gz AXYRSXLUHYNDFB-UHFFFAOYSA-N 2 0 583.744 6.600 1 0 KKAFRP C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C[C@H](C)[NH2+]1 ZINC000044351801 562654848 /nfs/dbraw/zinc/65/48/48/562654848.db2.gz HUZZCXSPSDWSTD-WMPKNSHKSA-N 2 0 636.808 6.105 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(N(C)c4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044352169 562655008 /nfs/dbraw/zinc/65/50/08/562655008.db2.gz WOYQLNAUPMZPEW-UHFFFAOYSA-N 2 0 583.744 7.188 1 0 KKAFRP O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)CC1 ZINC000045188933 562658332 /nfs/dbraw/zinc/65/83/32/562658332.db2.gz GUUVZAGGNNOHMN-XBXARRHUSA-N 2 0 511.497 6.438 1 0 KKAFRP O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045202284 562659134 /nfs/dbraw/zinc/65/91/34/562659134.db2.gz ZBDZEYAECHAHIP-NDEPHWFRSA-N 2 0 528.697 6.130 1 0 KKAFRP CCCCC[C@@H]([NH2+]CCCC)c1ccc(OCCOc2ccc([C@H](CCCCC)[NH2+]CCCC)cc2)cc1 ZINC000045302701 562660673 /nfs/dbraw/zinc/66/06/73/562660673.db2.gz GLYDCQLYYHVEBW-AQOUDTPCSA-N 2 0 524.834 9.167 1 0 KKAFRP FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc2c1 ZINC000045334516 562661292 /nfs/dbraw/zinc/66/12/92/562661292.db2.gz UHBKHVADSVTRRB-UHFFFAOYSA-N 2 0 513.567 6.633 1 0 KKAFRP Cc1nn(C)c(C[NH2+]C(C)C)c1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045388719 562662473 /nfs/dbraw/zinc/66/24/73/562662473.db2.gz GHYMNVIBQBGLDY-JOCHJYFZSA-N 2 0 520.659 5.094 1 0 KKAFRP c1cc(-c2ccc(CCC[n+]3ccc4c(c3)CCCC4)cc2)ccc1CCC[n+]1ccc2c(c1)CCCC2 ZINC000045389903 562662536 /nfs/dbraw/zinc/66/25/36/562662536.db2.gz JPZDLEHIGDWROZ-UHFFFAOYSA-N 2 0 502.746 6.952 1 0 KKAFRP C[NH+](C)Cc1ccccc1NC(=O)OC[C@@H](Oc1cc(F)cc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045391457 562662565 /nfs/dbraw/zinc/66/25/65/562662565.db2.gz SMMZRDAVBONMHW-HSZRJFAPSA-N 2 0 506.603 5.755 1 0 KKAFRP COc1cc2c(cc1OC)CC(CC1CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000045495159 562662630 /nfs/dbraw/zinc/66/26/30/562662630.db2.gz QCWIFUIODMJCQB-UHFFFAOYSA-N 2 0 513.726 6.450 1 0 KKAFRP C[C@H](Cc1ccc(CNC(=O)NCc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000048307376 562663043 /nfs/dbraw/zinc/66/30/43/562663043.db2.gz BVXHSCNRCHWJCX-VSGBNLITSA-N 2 0 631.692 7.519 1 0 KKAFRP C[C@H](Cc1ccc(CNC(=O)NCc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000048307375 562663083 /nfs/dbraw/zinc/66/30/83/562663083.db2.gz BVXHSCNRCHWJCX-HNRBIFIRSA-N 2 0 631.692 7.519 1 0 KKAFRP FC(F)(F)c1ccc(N2CCC[N@H+](Cc3cccc(-c4ccccc4C[NH2+]Cc4ccc5c(c4)OCO5)c3)CC2)nc1 ZINC000049605037 562665265 /nfs/dbraw/zinc/66/52/65/562665265.db2.gz LFJFNHHZEMRJLJ-UHFFFAOYSA-N 2 0 574.647 6.498 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605079 562665328 /nfs/dbraw/zinc/66/53/28/562665328.db2.gz JZOXKXJFMJGKGZ-UHFFFAOYSA-N 2 0 610.843 6.309 1 0 KKAFRP COc1cc2ccccc2cc1OCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000049605209 562665485 /nfs/dbraw/zinc/66/54/85/562665485.db2.gz YMYIGUPBKRNGHH-HKBQPEDESA-N 2 0 548.747 5.141 1 0 KKAFRP C[C@H](Cc1ccc(COc2ccc(C[C@H](CO)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605711 562666202 /nfs/dbraw/zinc/66/62/02/562666202.db2.gz NFOBFPWDECPYDW-OOXUFLSTSA-N 2 0 591.623 7.071 1 0 KKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049605820 562666352 /nfs/dbraw/zinc/66/63/52/562666352.db2.gz JMWAICNUPCOKSO-VWLOTQADSA-N 2 0 538.519 6.041 1 0 KKAFRP CC1(C)C[C@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@](C)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000049625729 562666809 /nfs/dbraw/zinc/66/68/09/562666809.db2.gz QOVZCEMZNPLLEY-IKYOIFQTSA-N 2 0 602.868 5.499 1 0 KKAFRP C[C@H](Cc1ccc(Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049626465 562667241 /nfs/dbraw/zinc/66/72/41/562667241.db2.gz PBIUHKXRNVGQLF-KRNDDSPESA-N 2 0 593.595 7.294 1 0 KKAFRP CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(Br)c(OC)c(OC)cc21 ZINC000049626802 562667311 /nfs/dbraw/zinc/66/73/11/562667311.db2.gz ZQTZIPBQZOIPEP-DKMQYJSJSA-N 2 0 559.545 5.706 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(CC[C@H]2CCC[N@@H+]2C)Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049626927 562667438 /nfs/dbraw/zinc/66/74/38/562667438.db2.gz LEHJSOOXHVVXMH-UUWRZZSWSA-N 2 0 714.904 6.108 1 0 KKAFRP C[C@@H](CCCCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049627070 562667537 /nfs/dbraw/zinc/66/75/37/562667537.db2.gz ZDQZRHIAICGCCU-UIOOFZCWSA-N 2 0 568.633 7.867 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)Cc2cccc(F)c2)CC1 ZINC000049639252 562667697 /nfs/dbraw/zinc/66/76/97/562667697.db2.gz VFTLGZFBFJFCLI-UHFFFAOYSA-N 2 0 628.814 5.494 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]C3CCCC3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049710616 562671712 /nfs/dbraw/zinc/67/17/12/562671712.db2.gz ZTODEWJKAKAERR-UHFFFAOYSA-N 2 0 572.797 8.085 1 0 KKAFRP C[C@@H](Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)CC2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049710565 562671745 /nfs/dbraw/zinc/67/17/45/562671745.db2.gz HTQKTNRSWIAEAD-KYJUHHDHSA-N 2 0 685.740 7.118 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)NC2CCCCC2)CC1 ZINC000049722940 562672672 /nfs/dbraw/zinc/67/26/72/562672672.db2.gz KLOZLPBEPPWRFO-UHFFFAOYSA-N 2 0 611.831 5.854 1 0 KKAFRP Clc1ccc(C[NH+]2CCC(N3CCN(c4ncc(C[NH2+]Cc5ccc(Cl)c(Cl)c5)cc4Cl)CC3)CC2)cc1 ZINC000049723056 562672868 /nfs/dbraw/zinc/67/28/68/562672868.db2.gz HWXBHDJUVCXZCH-UHFFFAOYSA-N 2 0 593.430 6.772 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000049745925 562674131 /nfs/dbraw/zinc/67/41/31/562674131.db2.gz CMDCEHFXVOMIQO-UHFFFAOYSA-N 2 0 566.834 7.608 1 0 KKAFRP CC(C)c1ccc(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2ccc(C(C)C)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746160 562674284 /nfs/dbraw/zinc/67/42/84/562674284.db2.gz PIQAJRNFDVDTPE-ZRKBJOGQSA-N 2 0 730.994 9.314 1 0 KKAFRP CCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761865 562676193 /nfs/dbraw/zinc/67/61/93/562676193.db2.gz VMTOMWOLENGTLM-ZAABFZCJSA-N 2 0 633.881 7.594 1 0 KKAFRP CCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049762321 562676445 /nfs/dbraw/zinc/67/64/45/562676445.db2.gz AJIFWFPFMZMPKU-XSASESFASA-N 2 0 619.854 7.204 1 0 KKAFRP CCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762324 562676454 /nfs/dbraw/zinc/67/64/54/562676454.db2.gz VNXFBCWVBBRPMP-CCERQUPFSA-N 2 0 633.881 7.594 1 0 KKAFRP CC(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771743 562678384 /nfs/dbraw/zinc/67/83/84/562678384.db2.gz YIEAVUAOOPJZIL-KHEZBOFISA-N 2 0 633.881 7.450 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)COc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049777097 562679635 /nfs/dbraw/zinc/67/96/35/562679635.db2.gz GRJDYIAVKUZOSM-SVBPBHIXSA-N 2 0 618.649 7.538 1 0 KKAFRP S=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000049777324 562679899 /nfs/dbraw/zinc/67/98/99/562679899.db2.gz AGZBOZNOKCKMLZ-UHFFFAOYSA-N 2 0 652.978 6.233 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)c4ccc(Cl)nc4)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049778022 562680800 /nfs/dbraw/zinc/68/08/00/562680800.db2.gz ASYOZRPYYNZYGN-UHFFFAOYSA-N 2 0 708.328 6.840 1 0 KKAFRP Clc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 562685839 /nfs/dbraw/zinc/68/58/39/562685839.db2.gz QAXALPWFTFJDCV-IWWWZYECSA-N 3 0 724.865 7.357 1 0 KKAFRP CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)CN1C=[N+](CC1)Cc1cc(OC)c(cc1OC)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000049833328 562687694 /nfs/dbraw/zinc/68/76/94/562687694.db2.gz BGSUFIUQBOKVEE-UHFFFAOYSA-N 2 0 729.881 6.849 1 0 KKAFRP c1n2c3ccccc3[n+]1Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1C[n+]1cn(c3ccccc31)Cc1cccc(n1)C2 ZINC000049841372 562688315 /nfs/dbraw/zinc/68/83/15/562688315.db2.gz OGUHXBJEMAGYBH-UHFFFAOYSA-N 2 0 729.844 8.754 1 0 KKAFRP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049889351 562691996 /nfs/dbraw/zinc/69/19/96/562691996.db2.gz QCJYFNUEZUCTJK-UHFFFAOYSA-N 2 0 694.892 5.184 1 0 KKAFRP CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917584 562693636 /nfs/dbraw/zinc/69/36/36/562693636.db2.gz IKEZPWSTUBREGN-WBAOKVOOSA-N 2 0 622.851 5.212 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917696 562693805 /nfs/dbraw/zinc/69/38/05/562693805.db2.gz CVACZFYQVUKCCT-PZGXJGMVSA-N 2 0 562.076 5.814 1 0 KKAFRP COCC(=O)N(Cc1ccccc1-c1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917757 562693831 /nfs/dbraw/zinc/69/38/31/562693831.db2.gz IDHOCRMTADXEIB-UHFFFAOYSA-N 2 0 591.752 6.012 1 0 KKAFRP CC(C)(C)c1ccc(SCC[NH3+])c(NC(=O)c2cc(C(=O)Nc3cc(C(C)(C)C)ccc3SCC[NH3+])c(OCC[NH3+])cc2OCC[NH3+])c1 ZINC000049938210 562695157 /nfs/dbraw/zinc/69/51/57/562695157.db2.gz QEGBZGXEXYNNKO-UHFFFAOYSA-N 4 0 696.984 5.563 1 0 KKAFRP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049942237 562695375 /nfs/dbraw/zinc/69/53/75/562695375.db2.gz BVWCYHRUYZIHDM-BINWWWHHSA-N 3 0 729.858 7.626 1 0 KKAFRP COC(=O)C[C@@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+]2CCCC2)N1c1ccc(-c2ccccc2)cc1 ZINC000049946880 562695650 /nfs/dbraw/zinc/69/56/50/562695650.db2.gz JFAIZDYDSIRWGI-WJOKGBTCSA-N 2 0 524.709 6.663 1 0 KKAFRP CC(C)N(C[C@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000058600011 562700867 /nfs/dbraw/zinc/70/08/67/562700867.db2.gz HLKCUDXXFULFRD-VOTWKOMSSA-N 2 0 654.891 6.200 1 0 KKAFRP O=C(c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000064513441 562706367 /nfs/dbraw/zinc/70/63/67/562706367.db2.gz MBBLYOALTCWBEV-HDHBGBBSSA-N 2 0 506.650 5.540 1 0 KKAFRP COc1cc(OC)cc(C(=[NH2+])NCCCCCCCCCCCCNC(=[NH2+])c2cc(OC)cc(OC)c2)c1 ZINC000064540059 562707649 /nfs/dbraw/zinc/70/76/49/562707649.db2.gz ZDZNMCHJFJBUOW-UHFFFAOYSA-N 2 0 526.722 6.152 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)NC1CC[NH+](CCCCCCCCC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066073943 562709616 /nfs/dbraw/zinc/70/96/16/562709616.db2.gz UPYWGAGJXOCCLN-PGUFJCEWSA-N 2 0 639.841 6.541 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112395 562712015 /nfs/dbraw/zinc/71/20/15/562712015.db2.gz LKMTURFCSVFFPV-PGUFJCEWSA-N 2 0 634.869 6.433 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CC[NH2+]CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000071297147 562717771 /nfs/dbraw/zinc/71/77/71/562717771.db2.gz UUYDLXMNWLLYQV-UHFFFAOYSA-N 2 0 601.235 6.898 1 0 KKAFRP c1ccc2c(c1)CCN(c1cc[n+](Cc3cccc(C[n+]4ccc(N5CCc6ccccc6C5)cc4)c3)cc1)C2 ZINC000071359423 562720076 /nfs/dbraw/zinc/72/00/76/562720076.db2.gz MAMCUCKXECKIMG-UHFFFAOYSA-N 2 0 524.712 5.484 1 0 KKAFRP CC(C)Oc1cc(NC(=[NH2+])c2ccc[nH]2)ccc1-c1ccc(-c2ccc(NC(=[NH2+])c3ccc[nH]3)cc2OC(C)C)o1 ZINC000072112769 562722187 /nfs/dbraw/zinc/72/21/87/562722187.db2.gz YHJJZLDZDJQCDN-UHFFFAOYSA-N 2 0 550.663 7.719 1 0 KKAFRP CC(C)[NH+]1CCC(Oc2cc(NC(=N)c3ccccn3)ccc2-c2ccc(-c3ccc(NC(=N)c4ccccn4)cc3OC3CC[NH+](C(C)C)CC3)o2)CC1 ZINC000072113097 562722240 /nfs/dbraw/zinc/72/22/40/562722240.db2.gz PLMHKWRZYMYQFP-UHFFFAOYSA-N 2 0 740.953 8.782 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@@H+](C3CCCCC3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116556 562723133 /nfs/dbraw/zinc/72/31/33/562723133.db2.gz DVCHKKPWEQUYSV-UHFFFAOYSA-N 3 0 607.888 5.633 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCC[N@@H+](C(C)C)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118183 562723428 /nfs/dbraw/zinc/72/34/28/562723428.db2.gz PMHNIDJCQQOZAE-UHFFFAOYSA-N 3 0 581.850 5.098 1 0 KKAFRP O=c1ccc2c([C@@H](O)C[NH2+]CCCCCCCCC[NH+]3CCC(Oc4nn(-c5c(O)cccc5F)c5c4CCCC5)CC3)ccc(O)c2[nH]1 ZINC000072124850 562725097 /nfs/dbraw/zinc/72/50/97/562725097.db2.gz MWNIKTJZFRMVQT-UMSFTDKQSA-N 2 0 675.846 6.040 1 0 KKAFRP COc1cc2c(cc1OC)CN(c1cc[n+](Cc3ccc(C[n+]4ccc(N5CCc6cc(OC)c(OC)cc6C5)cc4)cc3)cc1)CC2 ZINC000072133973 562727033 /nfs/dbraw/zinc/72/70/33/562727033.db2.gz OYZONZIVHKAQLQ-UHFFFAOYSA-N 2 0 644.816 5.518 1 0 KKAFRP [NH2+]=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=[NH2+])c4ccc(-c5ccccc5)cc4)cc3)c2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000082139886 562739266 /nfs/dbraw/zinc/73/92/66/562739266.db2.gz YHFCFTAWJHZVDL-UHFFFAOYSA-N 2 0 650.782 11.480 1 0 KKAFRP CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000082181768 562741989 /nfs/dbraw/zinc/74/19/89/562741989.db2.gz VMZLJSJMQIJQNE-ANAOGEIGSA-N 2 0 678.705 5.631 1 0 KKAFRP COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@@H+](C)[C@@H]5C2)OCO4)CC[NH+]1C ZINC000084858031 562753066 /nfs/dbraw/zinc/75/30/66/562753066.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 2 0 606.719 6.874 1 0 KKAFRP C[NH+](CCNC(=O)CCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536866 562754201 /nfs/dbraw/zinc/75/42/01/562754201.db2.gz YZRINCXVZSNLME-UHFFFAOYSA-N 2 0 805.767 6.082 1 0 KKAFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCC[NH+](C)C)[NH+](C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095540436 562755738 /nfs/dbraw/zinc/75/57/38/562755738.db2.gz SYZOYEODDGOCTH-HKBQPEDESA-N 2 0 775.844 5.661 1 0 KKAFRP C[N@H+](CCCC[C@H](C[NH2+]Cc1ccc(-c2ccccc2)cc1)N1C[C@H](c2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C(=O)C1=O)Cc1ccc(-c2ccccc2)cc1 ZINC000095545653 562758198 /nfs/dbraw/zinc/75/81/98/562758198.db2.gz KVKJWUMNBHRFJC-NWFOJYHTSA-N 2 0 823.909 10.743 3 0 KKAFRP O=C(N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550057 562759917 /nfs/dbraw/zinc/75/99/17/562759917.db2.gz RFKDBORJIKLFCM-UYVQAEDUSA-N 2 0 767.030 9.005 1 0 KKAFRP CC[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095579507 562771561 /nfs/dbraw/zinc/77/15/61/562771561.db2.gz XFIYFWAYRZWUOS-UHFFFAOYSA-N 2 0 548.156 7.043 1 0 KKAFRP CC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095580080 562771744 /nfs/dbraw/zinc/77/17/44/562771744.db2.gz SWNXUFFUARZIDF-UHFFFAOYSA-N 2 0 548.156 7.043 1 0 KKAFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncn1)Cc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593761 562776320 /nfs/dbraw/zinc/77/63/20/562776320.db2.gz LJPZHNSFIRHOCI-UHFFFAOYSA-N 2 0 619.529 5.567 1 0 KKAFRP Fc1ccc2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3ccc(OCC[NH+]4CCCCC4)cc3)cc2c1 ZINC000095595478 562776709 /nfs/dbraw/zinc/77/67/09/562776709.db2.gz LJXPIZJDACQBAB-UHFFFAOYSA-N 2 0 553.722 7.437 1 0 KKAFRP O=C(CN(NC1CC[NH+](Cc2ccccc2)CC1)NC1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000095610816 562784641 /nfs/dbraw/zinc/78/46/41/562784641.db2.gz SQRIUKXVALYAKA-HUESYALOSA-N 2 0 821.955 7.750 1 0 KKAFRP O=C(CCC[NH+]1CCCC1)Nc1cc(NC(=O)Nc2cc(NC(=O)CCC[NH+]3CCCC3)cc(C(=O)Nc3ccccc3)c2)cc(C(=O)Nc2ccccc2)c1 ZINC000095615660 562787431 /nfs/dbraw/zinc/78/74/31/562787431.db2.gz QHIPJQWUPRQKLT-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP CC[NH+](CCCCCCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(CCCCCC[N@@H+](CC)Cc3ccccc3OC)C4=O)cc2C1=O)Cc1ccccc1OC ZINC000095615976 562787679 /nfs/dbraw/zinc/78/76/79/562787679.db2.gz BLQXTZGJGNTPNF-UHFFFAOYSA-N 2 0 787.014 8.728 1 0 KKAFRP COc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000095617279 562787947 /nfs/dbraw/zinc/78/79/47/562787947.db2.gz IPCHCZZQQMESAN-AATRIKPKSA-N 2 0 772.896 6.337 1 0 KKAFRP CCCCC[n+]1cccc2cc(NC(=O)COc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)cc3)ccc21 ZINC000095882119 562790136 /nfs/dbraw/zinc/79/01/36/562790136.db2.gz ZPCAVNZSMFQPFQ-UHFFFAOYSA-P 2 0 590.768 7.218 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6c(ccc[n+]6CCC)c5)cc4)cc3)ccc21 ZINC000095882113 562790155 /nfs/dbraw/zinc/79/01/55/562790155.db2.gz YBPQCXKMSNYJOS-UHFFFAOYSA-P 2 0 623.757 7.145 1 0 KKAFRP CCCC[n+]1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)cc2)c1 ZINC000095882157 562790184 /nfs/dbraw/zinc/79/01/84/562790184.db2.gz HNTVQPWHRZDWRR-UHFFFAOYSA-P 2 0 601.751 6.772 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)cc3)cc2)c1 ZINC000095891143 562790226 /nfs/dbraw/zinc/79/02/26/562790226.db2.gz APCRITUSMCUJIW-SSDVNMTOSA-P 2 0 640.744 5.710 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)c(N)c3)cc2)c1 ZINC000095891244 562790228 /nfs/dbraw/zinc/79/02/28/562790228.db2.gz GKMGCLWKBDKSFM-UHFFFAOYSA-P 2 0 657.775 5.673 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285562 562795832 /nfs/dbraw/zinc/79/58/32/562795832.db2.gz DDOHQRNJXWAFAL-UHFFFAOYSA-N 2 0 630.833 7.556 1 0 KKAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CCN3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000096908892 562799464 /nfs/dbraw/zinc/79/94/64/562799464.db2.gz JLJVOVRSGZHKPB-UHFFFAOYSA-N 2 0 629.209 5.142 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CCC1CCCCC1 ZINC000096921311 562801366 /nfs/dbraw/zinc/80/13/66/562801366.db2.gz XFGOMYXAKBLDHJ-OIDHKYIRSA-N 2 0 507.766 6.884 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)[NH2+]CCC1CCCCC1 ZINC000096921308 562801387 /nfs/dbraw/zinc/80/13/87/562801387.db2.gz XFGOMYXAKBLDHJ-PXLJZGITSA-N 2 0 507.766 6.884 1 0 KKAFRP CCC[NH+](CCC)C[C@H](O)COc1ccc(-c2coc3cc(OC[C@@H](O)C[NH+](CCC)CCC)ccc3c2=O)cc1 ZINC000096924091 562802240 /nfs/dbraw/zinc/80/22/40/562802240.db2.gz RZFCFUJOEZHIFR-SVBPBHIXSA-N 2 0 568.755 5.183 1 0 KKAFRP [NH3+]CCc1c2ccc(Br)cc2[nH]c1Sc1[nH]c2cc(Br)ccc2c1CC[NH3+] ZINC000096933056 562803571 /nfs/dbraw/zinc/80/35/71/562803571.db2.gz JFQVGUHBJLLLLI-UHFFFAOYSA-N 2 0 508.283 5.328 1 0 KKAFRP CN1CC[NH+](CCCNc2ccc(-n3cc(-c4ccc5ccc(-c6cn(-c7ccc(NCCC[NH+]8CCN(C)CC8)cc7)nn6)cc5c4)nn3)cc2)CC1 ZINC000096935079 562803997 /nfs/dbraw/zinc/80/39/97/562803997.db2.gz NMXJWTGBRNHQAZ-UHFFFAOYSA-N 2 0 724.962 5.434 1 0 KKAFRP COc1ccc(OC)c(C(=O)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)c2cc(OC)ccc2OC)c1 ZINC000096935029 562804011 /nfs/dbraw/zinc/80/40/11/562804011.db2.gz ZRSLKYGEDBLSSG-UHFFFAOYSA-N 2 0 642.882 5.741 1 0 KKAFRP c1nc(-c2cccc(NCC[NH+]3CCCC3)c2)oc1-c1cccc(-c2cnc(-c3cccc(NCC[NH+]4CCCC4)c3)o2)c1 ZINC000096935083 562804049 /nfs/dbraw/zinc/80/40/49/562804049.db2.gz SOQXBQURDGSEEI-UHFFFAOYSA-N 2 0 588.756 7.346 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1CC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696336 562811852 /nfs/dbraw/zinc/81/18/52/562811852.db2.gz UAUUAICBVJBOLW-HSZRJFAPSA-N 2 0 610.780 6.067 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(C[S@@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101812236 562812193 /nfs/dbraw/zinc/81/21/93/562812193.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 2 0 510.744 6.321 1 0 KKAFRP CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CCCCC[NH+](C)CCc2c[nH]c3ccccc23)c1=O ZINC000101825438 562812215 /nfs/dbraw/zinc/81/22/15/562812215.db2.gz MGVZVGPAKQTLIX-RLPLKTQASA-N 2 0 581.805 6.134 1 0 KKAFRP CCCCC(CCCC)=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000103230593 562818229 /nfs/dbraw/zinc/81/82/29/562818229.db2.gz ABGNIXWIACKXBO-UHFFFAOYSA-N 2 0 574.894 9.379 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240415 562819449 /nfs/dbraw/zinc/81/94/49/562819449.db2.gz FXCMIAWJXXHNLL-DHUJRADRSA-N 2 0 586.784 5.788 1 0 KKAFRP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[NH2+]Cc3ccc4c(c3)Cc3ccccc3-4)ccc21 ZINC000103245957 562819832 /nfs/dbraw/zinc/81/98/32/562819832.db2.gz MZCMSTHMIBWKPT-UUWRZZSWSA-N 2 0 506.665 6.802 1 0 KKAFRP Brc1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1ccc(-c2[nH]c3cc(C4=[NH+]CCN4)ccc3c2Br)cc1 ZINC000103251421 562820342 /nfs/dbraw/zinc/82/03/42/562820342.db2.gz QKWJPUSVZKQABL-UHFFFAOYSA-N 2 0 602.334 6.208 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccc(F)c3)C[C@H]2CC2CCCCC2)CC1 ZINC000103251655 562820365 /nfs/dbraw/zinc/82/03/65/562820365.db2.gz RPYLXLZFYRJJRF-IWOFXUSUSA-N 2 0 594.908 7.491 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1 ZINC000103252570 562820450 /nfs/dbraw/zinc/82/04/50/562820450.db2.gz ZVJWWFYYHLRZLE-LYBMHKGZSA-N 2 0 577.906 6.747 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@@H]2CC2CCCCC2)CC1 ZINC000103252566 562820454 /nfs/dbraw/zinc/82/04/54/562820454.db2.gz ZVJWWFYYHLRZLE-FBVYBBNNSA-N 2 0 577.906 6.747 1 0 KKAFRP CCC(=O)O[C@H]1[C@@H]([NH+]2CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118919419 562830837 /nfs/dbraw/zinc/83/08/37/562830837.db2.gz JCTBRKGARALROK-ABAFHIJKSA-N 2 0 556.832 6.211 1 0 KKAFRP CN(C)[C@@H]1CCC[N@H+](CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146442215 562838571 /nfs/dbraw/zinc/83/85/71/562838571.db2.gz UULIHMCCZFOKID-AREMUKBSSA-N 2 0 547.817 5.108 1 0 KKAFRP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@H+](C)CC5)c(O)c1-3 ZINC000150523062 562843554 /nfs/dbraw/zinc/84/35/54/562843554.db2.gz STGBYQRLSYKRRZ-KKLWWLSJSA-N 2 0 730.906 5.853 1 0 KKAFRP C[NH+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCCC(=O)NCCCOc2ccc4c(c2O)-c2cccc5c2[C@@H](C4)[N@H+](C)CC5)c(O)c1-3 ZINC000150523071 562843624 /nfs/dbraw/zinc/84/36/24/562843624.db2.gz NTQMYHKKRHULRZ-XPSQVAKYSA-N 2 0 787.014 7.413 1 0 KKAFRP C[C@@H]1C[C@H](C)C[NH+](C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)C[N@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000150572375 562845160 /nfs/dbraw/zinc/84/51/60/562845160.db2.gz MSTVIUSEPJSWBX-DPBRMJAHSA-N 2 0 882.411 8.498 1 0 KKAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000150594406 562846528 /nfs/dbraw/zinc/84/65/28/562846528.db2.gz WNSZHTAQLGVRHC-UWXQCODUSA-N 2 0 846.811 6.668 1 0 KKAFRP C[C@@H]1C[C@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8C[C@@H](C)C[C@H](C)C8)ccc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000163403405 562849367 /nfs/dbraw/zinc/84/93/67/562849367.db2.gz YOTKYPMFBCPZTK-LAJGZZDBSA-N 2 0 678.885 9.172 1 0 KKAFRP C[C@@H]1C[C@@H](C)CN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8C[C@H](C)C[C@H](C)C8)ccc7[nH]6)cc5)cc4)nc3c2)C1 ZINC000163403528 562849374 /nfs/dbraw/zinc/84/93/74/562849374.db2.gz YOTKYPMFBCPZTK-HPQIJTKRSA-N 2 0 678.885 9.172 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2Cl)c1 ZINC000169310609 562854833 /nfs/dbraw/zinc/85/48/33/562854833.db2.gz NJQUPDARRLBPKF-UHFFFAOYSA-N 2 0 568.122 5.097 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cccc(F)c3O)CC2)ccc1O ZINC000169321642 562856715 /nfs/dbraw/zinc/85/67/15/562856715.db2.gz NNDJFKAXZPUHPC-UMSFTDKQSA-N 2 0 700.874 6.342 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000169323322 562856980 /nfs/dbraw/zinc/85/69/80/562856980.db2.gz QKMFQEAWWXOBAM-BHVANESWSA-N 2 0 731.356 7.247 1 0 KKAFRP N=c1n(CCCCCn2c3ccccc3n(Cc3ccccc3)c2=N)c2ccccc2n1Cc1ccccc1 ZINC000169718107 562871286 /nfs/dbraw/zinc/87/12/86/562871286.db2.gz LYLXRWRDESAGLV-UHFFFAOYSA-N 2 0 514.677 6.125 1 0 KKAFRP CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(C[NH3+])c1 ZINC000195354429 562871692 /nfs/dbraw/zinc/87/16/92/562871692.db2.gz XHVWVRVMAWQJBS-DFXCPAKASA-N 2 0 790.026 5.299 1 0 KKAFRP CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(C[NH3+])c1 ZINC000195354433 562871697 /nfs/dbraw/zinc/87/16/97/562871697.db2.gz XHVWVRVMAWQJBS-ULXFESRUSA-N 2 0 790.026 5.299 1 0 KKAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccc4ccccc4c3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccc3ccccc3c2)[C@@H]1OCc1ccc2ccccc2c1 ZINC000198064276 562872639 /nfs/dbraw/zinc/87/26/39/562872639.db2.gz ZSAKFHKUBTUBSK-NGTUMBJYSA-N 4 0 742.917 5.018 1 0 KKAFRP C[C@H]1[NH2+][C@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833603 562886225 /nfs/dbraw/zinc/88/62/25/562886225.db2.gz HSQBZWURRKNSMR-PBBNMVCDSA-N 2 0 509.698 5.959 1 0 KKAFRP Cc1ccccc1C[NH2+]C[C@@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299867261 562894845 /nfs/dbraw/zinc/89/48/45/562894845.db2.gz QANXQUIDCAPTKB-JGCGQSQUSA-N 2 0 594.825 5.558 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccccc3)ccn(Cc3cccc(-c4cccc(Cn5ccc(N(C)c6ccccc6)c6ccc(=[NH2+])c(C)c5-6)c4)c3)c1-2 ZINC000377790563 562895939 /nfs/dbraw/zinc/89/59/39/562895939.db2.gz GRBMJQHVPCPMAD-UHFFFAOYSA-N 2 0 704.922 10.374 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4ccc(cc4)-c4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377825242 562896165 /nfs/dbraw/zinc/89/61/65/562896165.db2.gz NVFMGTWRSCHMNV-UHFFFAOYSA-N 2 0 604.842 10.134 1 0 KKAFRP Cc1cc(=[NH+]CCCCCCCCCC[NH+]=c2cc(C)n(Cc3ccccc3)c3ccccc32)c2ccccc2n1Cc1ccccc1 ZINC000377825257 562896230 /nfs/dbraw/zinc/89/62/30/562896230.db2.gz FOGYKOMUXDBHPA-UHFFFAOYSA-N 2 0 634.912 9.932 1 0 KKAFRP Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc2)cc1 ZINC000377848835 562896396 /nfs/dbraw/zinc/89/63/96/562896396.db2.gz BYMAGSVFNDZHAL-FZSIALSZSA-O 2 0 555.662 5.730 1 0 KKAFRP CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N=C4C=C(C)[N@@H+](CC)c5ccc(N)cc54)cc3N)cc2)cc1 ZINC000377848938 562896505 /nfs/dbraw/zinc/89/65/05/562896505.db2.gz QOQDLOGWNNVPTB-UHFFFAOYSA-O 2 0 532.672 5.670 1 0 KKAFRP OCCn1ccc2[n+](CCCCCCCCC[n+]3c4ccccc4c4cn(CCO)ccc3-4)c3ccccc3c-2c1 ZINC000473090874 562897635 /nfs/dbraw/zinc/89/76/35/562897635.db2.gz QBBWPKXOBZOZFR-UHFFFAOYSA-N 2 0 550.747 5.796 1 0 KKAFRP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000066156584 565116703 /nfs/dbraw/zinc/11/67/03/565116703.db2.gz ANOXEUSGZWSCQL-KYJUHHDHSA-N 2 0 622.762 7.162 3 0 biogenic,in-vitro KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)nc1 ZINC000003875331 561684432 /nfs/dbraw/zinc/68/44/32/561684432.db2.gz ZWXFJUPNUWRODU-UHFFFAOYSA-N 2 0 541.717 6.144 1 0 in-vitro KKAFRP C[C@@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(CCCC4CC[NH+](Cc5ccc(C6=[NH+]C[C@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006041082 561702231 /nfs/dbraw/zinc/70/22/31/561702231.db2.gz RISDPOWMGNIBSU-MKPDMIMOSA-N 4 0 554.827 5.458 1 0 KKAFRP c1cc2c[n+](c1)CCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2 ZINC000013430326 561711746 /nfs/dbraw/zinc/71/17/46/561711746.db2.gz UBHWHOTUTGGLGV-UHFFFAOYSA-N 2 0 506.863 9.253 1 0 KKAFRP C1=C\CCCCCC[n+]2cccc(c2)CCCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000013430335 561711843 /nfs/dbraw/zinc/71/18/43/561711843.db2.gz MKFIHQDRRUNJRF-OWOJBTEDSA-N 2 0 532.901 9.809 1 0 KKAFRP C1=C\CCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000013430332 561711863 /nfs/dbraw/zinc/71/18/63/561711863.db2.gz SYXOAOJXWNCUDJ-OWOJBTEDSA-N 2 0 518.874 9.419 1 0 in-vivo KKAFRP O=S(=O)(NCC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc21 ZINC000013439459 561712320 /nfs/dbraw/zinc/71/23/20/561712320.db2.gz PPVPMIUFXSUMPV-HHHXNRCGSA-N 2 0 526.146 5.021 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCC3)cc2)ccc1CCCc1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1 ZINC000013837709 561734477 /nfs/dbraw/zinc/73/44/77/561734477.db2.gz GUMAMGBRMKZHMF-UHFFFAOYSA-N 2 0 518.749 5.734 1 0 KKAFRP Clc1cc(Cl)c2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3c([nH+]c4cc(Cl)cc(Cl)c42)CCCC3)CCCC1 ZINC000014947265 561744521 /nfs/dbraw/zinc/74/45/21/561744521.db2.gz AXLKXPGGRMASKW-UHFFFAOYSA-N 2 0 630.491 10.629 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccc(NC(=O)C(=O)Nc3ccc4[nH+]ccc(N[C@@H](C)CCC[NH+](CC)CC)c4c3)cc12 ZINC000026160520 561768592 /nfs/dbraw/zinc/76/85/92/561768592.db2.gz BJAHSSRTDMJHKT-HNRBIFIRSA-N 4 0 654.904 7.205 1 0 KKAFRP O=C1c2cccc3cc(-c4ccco4)cc(c32)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3cc(-c4ccco4)cc(c32)C1=O ZINC000026296881 561781593 /nfs/dbraw/zinc/78/15/93/561781593.db2.gz NEMKNDOWRQSFOG-UHFFFAOYSA-N 2 0 666.734 6.365 1 0 KKAFRP CS(=O)(=O)Nc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026570206 561797865 /nfs/dbraw/zinc/79/78/65/561797865.db2.gz KIKWPYRJPAZDOF-UHFFFAOYSA-N 2 0 619.853 6.480 1 0 KKAFRP [NH2+]=C(NCc1ccccc1)c1ccc(N2CCN(c3ccc(C(=[NH2+])NCc4ccccc4)cc3)CC2)cc1 ZINC000026643847 561807073 /nfs/dbraw/zinc/80/70/73/561807073.db2.gz TZWLGVNCPJMFDM-UHFFFAOYSA-N 2 0 502.666 5.244 1 0 KKAFRP OCc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000027094040 561837699 /nfs/dbraw/zinc/83/76/99/561837699.db2.gz UFCRTMKSVKGUOF-UHFFFAOYSA-N 2 0 570.799 6.991 1 0 KKAFRP COc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2C(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027096560 561838078 /nfs/dbraw/zinc/83/80/78/561838078.db2.gz NFCSIFMPQHTIJY-UHFFFAOYSA-N 2 0 570.755 6.757 1 0 KKAFRP C[NH2+]CCCCCC[N@H+](C)Cc1ccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1 ZINC000027546572 561866944 /nfs/dbraw/zinc/86/69/44/561866944.db2.gz DEJRQWNKBLUKLC-UHFFFAOYSA-N 2 0 607.844 5.210 1 0 KKAFRP CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1[NH2+]CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027635636 561874331 /nfs/dbraw/zinc/87/43/31/561874331.db2.gz KWYPWVKRUAHLRV-WJOKGBTCSA-N 2 0 593.216 5.607 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](Cc2ccc(Oc3ccccc3)cc2)Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000027639641 561875178 /nfs/dbraw/zinc/87/51/78/561875178.db2.gz MTECXWVPBDBRLY-UHFFFAOYSA-N 2 0 726.365 9.985 1 0 KKAFRP c1ccc2c(c1)cccc2C[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]Cc1cccc2ccccc21 ZINC000027644540 561875656 /nfs/dbraw/zinc/87/56/56/561875656.db2.gz FOGODOQYAPIXIL-UHFFFAOYSA-N 4 0 538.824 7.172 1 0 KKAFRP CC(C)(C)c1cc(I)c2c(c1)C[NH2+]C1(CCC3(CC1)[NH2+]Cc1cc(C(C)(C)C)cc(I)c1O3)O2 ZINC000027651768 561876669 /nfs/dbraw/zinc/87/66/69/561876669.db2.gz BGUROOIJMCCSJS-UHFFFAOYSA-N 2 0 686.416 7.122 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1cccc(OCC[NH+]2CCCC2)c1 ZINC000027725871 561880828 /nfs/dbraw/zinc/88/08/28/561880828.db2.gz LCRYUQKWNDUUNA-UHFFFAOYSA-N 2 0 540.729 6.749 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000027854035 561886344 /nfs/dbraw/zinc/88/63/44/561886344.db2.gz ITFOXKZCPBTMPV-VLZNPVHKSA-N 2 0 664.834 9.144 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1O[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000027855134 561886483 /nfs/dbraw/zinc/88/64/83/561886483.db2.gz AZVJVVUYKOGHHD-ROJLCIKYSA-N 2 0 600.825 7.600 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)cc1 ZINC000027859981 561886989 /nfs/dbraw/zinc/88/69/89/561886989.db2.gz YNWOLWFIBCVWSN-KKLWWLSJSA-N 2 0 608.848 8.450 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)c(F)c1 ZINC000027869500 561888067 /nfs/dbraw/zinc/88/80/67/561888067.db2.gz QWKZJUJRVVGGOQ-QZCRLSDHSA-N 2 0 628.854 8.654 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCCC2)cc1 ZINC000027874683 561888487 /nfs/dbraw/zinc/88/84/87/561888487.db2.gz ANVGNUGHJLEMEH-FZNHDDJXSA-N 2 0 624.891 8.905 1 0 KKAFRP CC[N@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC(c1ccccc1)c1ccccc1 ZINC000028124450 561904799 /nfs/dbraw/zinc/90/47/99/561904799.db2.gz LYJTYWBVFKIGFN-UHFFFAOYSA-N 2 0 545.815 7.417 1 0 KKAFRP Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000028223490 561907567 /nfs/dbraw/zinc/90/75/67/561907567.db2.gz KBRDGNDCITUWJY-NDEPHWFRSA-N 2 0 556.772 6.604 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+](C)C ZINC000028224721 561907782 /nfs/dbraw/zinc/90/77/82/561907782.db2.gz LDJSCKWGVDRODV-UHFFFAOYSA-N 2 0 516.707 6.410 1 0 KKAFRP COc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028224726 561907786 /nfs/dbraw/zinc/90/77/86/561907786.db2.gz SEWRCNZLRARJGX-UHFFFAOYSA-N 2 0 526.746 7.238 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249883 561910859 /nfs/dbraw/zinc/91/08/59/561910859.db2.gz COSYVLIRDFEWDN-UIOOFZCWSA-N 2 0 564.734 5.378 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028255846 561911518 /nfs/dbraw/zinc/91/15/18/561911518.db2.gz WJEYQCJEIFEUFW-ROJLCIKYSA-N 2 0 648.896 7.719 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028257893 561911781 /nfs/dbraw/zinc/91/17/81/561911781.db2.gz LXWHNYYETIMYQL-ISILISOKSA-N 2 0 606.815 6.549 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000028468049 561926458 /nfs/dbraw/zinc/92/64/58/561926458.db2.gz POSNNZQZGCCFGA-PXLJZGITSA-N 2 0 531.744 6.380 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1 ZINC000028457537 561924207 /nfs/dbraw/zinc/92/42/07/561924207.db2.gz GYXOGLBEBKHGRB-UHFFFAOYSA-N 2 0 548.734 7.561 1 0 KKAFRP Clc1cc(Cl)cc(-c2cc[n+](Cc3cccc(-c4cccc(C[n+]5ccc(-c6cc(Cl)cc(Cl)c6)cc5)c4)c3)cc2)c1 ZINC000028458484 561924441 /nfs/dbraw/zinc/92/44/41/561924441.db2.gz LEQLZKCWQJXLDG-UHFFFAOYSA-N 2 0 628.430 9.973 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc54)c3)c2)c2ccccc12 ZINC000028475977 561928136 /nfs/dbraw/zinc/92/81/36/561928136.db2.gz UCKPIBDXYWMMNW-UHFFFAOYSA-N 2 0 648.854 9.867 1 0 in-vivo KKAFRP COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)CCCCCCCCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000028528699 561933235 /nfs/dbraw/zinc/93/32/35/561933235.db2.gz GWBCSGBBSHCUOR-UHFFFAOYSA-N 2 0 712.376 6.350 1 0 KKAFRP Cc1cccc(-c2ccccc2)c1CCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646357 561945154 /nfs/dbraw/zinc/94/51/54/561945154.db2.gz JBXYADWMJLOTTL-DHUJRADRSA-N 2 0 542.787 6.119 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000028646315 561945169 /nfs/dbraw/zinc/94/51/69/561945169.db2.gz PHGQDMRWYCPIEF-UMSFTDKQSA-N 2 0 528.760 5.810 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(N(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646430 561945305 /nfs/dbraw/zinc/94/53/05/561945305.db2.gz QAHPGFWCLSTEMJ-BHVANESWSA-N 2 0 571.829 5.876 1 0 KKAFRP COc1ccc(-c2ccccc2CCC[NH+]2CCN(C[C@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000028646397 561945364 /nfs/dbraw/zinc/94/53/64/561945364.db2.gz NCDIILRSQNVCDL-PGUFJCEWSA-N 2 0 558.786 5.819 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645960 561944637 /nfs/dbraw/zinc/94/46/37/561944637.db2.gz AWNPJZLYWXFSRD-DHUJRADRSA-N 2 0 545.762 7.086 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646159 561944684 /nfs/dbraw/zinc/94/46/84/561944684.db2.gz UESNQFLPADGGQE-MGBGTMOVSA-N 2 0 516.749 5.687 1 0 KKAFRP CCC(CC)[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3c(OC)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646280 561944942 /nfs/dbraw/zinc/94/49/42/561944942.db2.gz JUBYDLVPVPMMFB-DHUJRADRSA-N 2 0 574.829 6.475 1 0 KKAFRP CCCN(CC[NH+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CC[N@@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714056 561954657 /nfs/dbraw/zinc/95/46/57/561954657.db2.gz QYPHOWGWZYJGEX-BIWJUTDKSA-N 2 0 623.886 5.335 1 0 KKAFRP CC(C)C[C@H]([NH2+]CCC[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823906 561968608 /nfs/dbraw/zinc/96/86/08/561968608.db2.gz ZXOJJZQNCXSKSG-WUFINQPMSA-N 2 0 606.614 5.040 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824062 561968811 /nfs/dbraw/zinc/96/88/11/561968811.db2.gz SDARKJATQCCGMF-VXNXHJTFSA-N 2 0 523.043 5.057 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCCCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824115 561969040 /nfs/dbraw/zinc/96/90/40/561969040.db2.gz KWNMRUIZRGSHAC-FLBADVGZSA-N 2 0 537.192 6.001 1 0 KKAFRP CCN1CCC([N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)N3CCN(c4ccc(C)cc4[C@@H]([NH3+])C(C)C)CC3)C2)CC1 ZINC000028824140 561969192 /nfs/dbraw/zinc/96/91/92/561969192.db2.gz GIYNCSADTPBMSI-WTGSTYHVSA-N 2 0 566.234 5.153 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C3CCCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824184 561969323 /nfs/dbraw/zinc/96/93/23/561969323.db2.gz DYZKLCKHTWVRLI-REUBFRLUSA-N 2 0 527.128 5.442 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000028824336 561969566 /nfs/dbraw/zinc/96/95/66/561969566.db2.gz ACRMJAQSELDLDA-QXIHQKPUSA-N 2 0 633.586 7.232 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCCC[NH+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 561972850 /nfs/dbraw/zinc/97/28/50/561972850.db2.gz ISNGXRPSKCDGJO-LJAQVGFWSA-N 2 0 598.738 5.566 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873139 561974721 /nfs/dbraw/zinc/97/47/21/561974721.db2.gz ZLPMBEZUOFMVBR-UHFFFAOYSA-N 2 0 706.972 7.451 1 0 KKAFRP CC(C)C[C@H](NC(=O)CC[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960162 561983909 /nfs/dbraw/zinc/98/39/09/561983909.db2.gz OWQSNMHDTXCBSD-YPKYBTACSA-N 2 0 664.257 6.287 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@H](C(C)C)[NH+](C)C)c1 ZINC000028959993 561983969 /nfs/dbraw/zinc/98/39/69/561983969.db2.gz SKRQEVGQQHAXMU-LXQNXJGFSA-N 2 0 525.181 5.680 1 0 KKAFRP C[NH+](C)CCCN(c1cc[nH+]cc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964314 561984776 /nfs/dbraw/zinc/98/47/76/561984776.db2.gz BSOGETFZKSQMJK-UHFFFAOYSA-N 2 0 582.615 5.278 1 0 KKAFRP Cc1ccc(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@@H+]7CC[C@@H]5[C@]5(C[C@H]8C=CCCCC[NH+]8[C@H]56)C7)c4[nH]c32)cc1 ZINC000028970220 561985771 /nfs/dbraw/zinc/98/57/71/561985771.db2.gz YYODILDWWWVNHZ-YYCRHTIOSA-N 2 0 718.964 7.932 1 0 in-vivo KKAFRP CC[C@]1(c2cccc(O)c2)CCCC[NH+](CCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055906 561995059 /nfs/dbraw/zinc/99/50/59/561995059.db2.gz XNVOHDDYQCZZQX-CZFRINIUSA-N 2 0 506.775 7.236 1 0 in-vivo KKAFRP CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000029323998 562013276 /nfs/dbraw/zinc/01/32/76/562013276.db2.gz GOOTVQNYEGOTOF-HFTHSADSSA-N 2 0 524.743 5.276 1 0 KKAFRP CCCC[C@@H](CC)C[NH+]=c1ccn(CCCCCCCn2ccc(=[NH+]C[C@H](CC)CCCC)cc2)cc1 ZINC000029235818 562009614 /nfs/dbraw/zinc/00/96/14/562009614.db2.gz GSZHDSXJDBUCGK-FIRIVFDPSA-N 2 0 508.839 8.175 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCOC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029389947 562017175 /nfs/dbraw/zinc/01/71/75/562017175.db2.gz CVMHORUIZZDBSL-GKQHHHCTSA-N 2 0 575.577 6.021 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000029481822 562027480 /nfs/dbraw/zinc/02/74/80/562027480.db2.gz IDOBPYXTEVHMLB-HEVIKAOCSA-N 2 0 584.805 5.050 1 0 KKAFRP CC(C)N(C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C(C)C)C(C)C)C3)cc2)C1)C(C)C ZINC000029544990 562029399 /nfs/dbraw/zinc/02/93/99/562029399.db2.gz ALUBWPKFZRKPBI-RNPORBBMSA-N 2 0 526.810 5.401 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000029546380 562030004 /nfs/dbraw/zinc/03/00/04/562030004.db2.gz KTCPZYZGBDYZCM-ROJLCIKYSA-N 2 0 546.800 5.514 1 0 KKAFRP COc1ccc(CC[NH2+]CCCCCC[NH2+]CCc2ccc(OC)c(OC)c2Cl)c(Cl)c1OC ZINC000034276419 562038739 /nfs/dbraw/zinc/03/87/39/562038739.db2.gz QIXCPCMHRVJCMI-UHFFFAOYSA-N 2 0 513.506 5.553 1 0 KKAFRP c1ccc(-c2ccccc2C[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000034893611 562044102 /nfs/dbraw/zinc/04/41/02/562044102.db2.gz JAYQJSQCIORXBX-UHFFFAOYSA-N 4 0 534.792 6.640 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000036284698 562053363 /nfs/dbraw/zinc/05/33/63/562053363.db2.gz CXNCKVKDTNIURI-OUYGKKDFSA-N 2 0 634.240 5.311 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)C[N@H+](C)C4 ZINC000038147452 562065629 /nfs/dbraw/zinc/06/56/29/562065629.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 2 0 608.735 6.859 1 0 KKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040403504 562074675 /nfs/dbraw/zinc/07/46/75/562074675.db2.gz HQPWIOOFNUOPRR-SSEXGKCCSA-N 2 0 514.758 5.862 1 0 KKAFRP C[NH+]1CCC(c2c[nH]c3ccc(NC(=O)CC(=O)Nc4ccc5[nH]cc(C6CC[NH+](C)CC6)c5c4)cc32)CC1 ZINC000040423830 562076367 /nfs/dbraw/zinc/07/63/67/562076367.db2.gz BOHPIAWTYPGAGL-UHFFFAOYSA-N 2 0 526.685 5.235 1 0 KKAFRP CC(C)[NH2+]CCC[N@H+](CCCC[NH+](CCC[NH3+])Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000040763475 562079394 /nfs/dbraw/zinc/07/93/94/562079394.db2.gz MWIUPFDYMPWAGI-UHFFFAOYSA-N 4 0 524.797 6.814 1 0 KKAFRP CC(C)CC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040898100 562083133 /nfs/dbraw/zinc/08/31/33/562083133.db2.gz XMLGFWNLDRPFTA-LJAQVGFWSA-N 2 0 502.747 5.576 1 0 KKAFRP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040952931 562086355 /nfs/dbraw/zinc/08/63/55/562086355.db2.gz JXXMYXNMLBKOAF-QABMSTFYSA-N 2 0 514.117 6.894 1 0 KKAFRP O=C(NCC[NH+]1CCCCC1)c1ccc(-c2csc3nc(-c4ccc(OCC[NH+]5CCCCC5)cc4)nn23)cc1 ZINC000042807117 562090076 /nfs/dbraw/zinc/09/00/76/562090076.db2.gz NDPGEWSBBDFTAX-UHFFFAOYSA-N 2 0 558.752 5.205 1 0 KKAFRP CCc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@H]4[NH2+]CCc5cc(OC)c(O)cc54)cc3)c1)[NH2+]CC2 ZINC000095912873 560056991 /nfs/dbraw/zinc/05/69/91/560056991.db2.gz XQAIPTVXOLYLQG-LOYHVIPDSA-N 2 0 566.698 6.026 1 0 biogenic,in-vitro KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000085772804 560066827 /nfs/dbraw/zinc/06/68/27/560066827.db2.gz VPIWCSVVIJIYRD-VSGBNLITSA-N 2 0 594.708 6.517 1 0 biogenic,in-vitro KKAFRP COc1cc2c(cc1OC)CC(CC1CC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4c3CCCC4)CC1)C2 ZINC000043174938 562646591 /nfs/dbraw/zinc/64/65/91/562646591.db2.gz BLQBKXIXNYWZQU-UHFFFAOYSA-N 2 0 548.171 7.103 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)s3)nc2c1 ZINC000044358837 562655381 /nfs/dbraw/zinc/65/53/81/562655381.db2.gz SXGBSZNGVZKFCH-UHFFFAOYSA-N 2 0 588.785 7.267 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCC[NH2+]CCCCCOc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC000044430571 562657552 /nfs/dbraw/zinc/65/75/52/562657552.db2.gz NFCKRAFHWQEUBC-UHFFFAOYSA-N 2 0 541.139 8.042 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCC[NH2+]CCCCCCOc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC000044430846 562657665 /nfs/dbraw/zinc/65/76/65/562657665.db2.gz CFVHUTNSNQLFIJ-UHFFFAOYSA-N 2 0 555.166 8.433 1 0 KKAFRP O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000045167748 562658109 /nfs/dbraw/zinc/65/81/09/562658109.db2.gz FACGAOZDXJTYSK-UHFFFAOYSA-N 2 0 506.437 6.508 1 0 KKAFRP CC(C)Oc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000045191294 562658559 /nfs/dbraw/zinc/65/85/59/562658559.db2.gz FEVHFJOXEWVZKI-UHFFFAOYSA-N 2 0 512.738 8.007 1 0 KKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045193371 562658672 /nfs/dbraw/zinc/65/86/72/562658672.db2.gz RCOGEQWOFOMWGG-SSEXGKCCSA-N 2 0 517.739 6.037 1 0 KKAFRP C[NH+](C)CCN(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C(=O)NC1CCCCC1 ZINC000045196331 562658965 /nfs/dbraw/zinc/65/89/65/562658965.db2.gz JYOLVJAHDMPQAB-UHFFFAOYSA-N 2 0 512.742 6.092 1 0 KKAFRP Fc1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCC(CC[NH+]6CCCCC6)CC5)cc4)s3)nc2c1 ZINC000045201268 562659008 /nfs/dbraw/zinc/65/90/08/562659008.db2.gz IXVZYFRNCLVCHM-UHFFFAOYSA-N 2 0 502.703 7.186 1 0 KKAFRP CCCOc1c(CC[NH2+]CCCC[NH2+]CCc2ccc3ccccc3c2OCCC)ccc2ccccc21 ZINC000045202353 562659157 /nfs/dbraw/zinc/65/91/57/562659157.db2.gz VZPVFWPPJIEVPK-UHFFFAOYSA-N 2 0 512.738 7.315 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(CCCN3CC[NH+](C)CC3)C(=O)CCC3CCCC3)cc2)c1 ZINC000045203019 562659213 /nfs/dbraw/zinc/65/92/13/562659213.db2.gz CLDVWUUTHUHESI-UHFFFAOYSA-N 2 0 532.817 6.036 1 0 KKAFRP C[NH+](C)CCCOc1ccc(-c2nc3ccccc3c3c2-c2ccc(OCCC[NH+](C)C)cc2C3=O)cc1 ZINC000045349333 562661658 /nfs/dbraw/zinc/66/16/58/562661658.db2.gz FAAIXZHNURGEJZ-UHFFFAOYSA-N 2 0 509.650 5.774 1 0 KKAFRP OCCCc1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc(CCCO)c4)cc3)cc2)c1 ZINC000045369371 562662201 /nfs/dbraw/zinc/66/22/01/562662201.db2.gz LLHQUNYODGEOAB-UHFFFAOYSA-N 2 0 510.722 5.044 1 0 KKAFRP Cc1nn(C)c(C[NH2+]C(C)C)c1NC(=O)OC[C@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045388715 562662467 /nfs/dbraw/zinc/66/24/67/562662467.db2.gz GHYMNVIBQBGLDY-QFIPXVFZSA-N 2 0 520.659 5.094 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000048307338 562662996 /nfs/dbraw/zinc/66/29/96/562662996.db2.gz VOCBWTYGJFCLKF-UHFFFAOYSA-N 2 0 560.786 7.798 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)NCCc2ccccc2)CC1 ZINC000049605223 562665492 /nfs/dbraw/zinc/66/54/92/562665492.db2.gz LBEHFDNFSHZKNM-UHFFFAOYSA-N 2 0 633.837 5.764 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000049605434 562665851 /nfs/dbraw/zinc/66/58/51/562665851.db2.gz LWFMUAXAOAOMSD-UHFFFAOYSA-N 2 0 624.276 5.582 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049615798 562666720 /nfs/dbraw/zinc/66/67/20/562666720.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 2 0 686.827 6.492 1 0 KKAFRP Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000049615900 562666733 /nfs/dbraw/zinc/66/67/33/562666733.db2.gz RODRDASREBITHL-UHFFFAOYSA-N 2 0 690.933 6.386 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000049625717 562666816 /nfs/dbraw/zinc/66/68/16/562666816.db2.gz YAGXWQLEJCLTJJ-UHFFFAOYSA-N 2 0 566.834 7.608 1 0 KKAFRP Cc1ccc2c(c1)nc(N1CC[NH+](C)CC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049680007 562669068 /nfs/dbraw/zinc/66/90/68/562669068.db2.gz HNYXJJXAZKNSEF-UHFFFAOYSA-N 2 0 563.750 5.153 1 0 KKAFRP Cc1ccc2c(c1)nc(N(C)CC[NH+](C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694673 562669658 /nfs/dbraw/zinc/66/96/58/562669658.db2.gz DZFHAGXYMQJPCJ-UHFFFAOYSA-N 2 0 565.766 5.399 1 0 KKAFRP COc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049710347 562671658 /nfs/dbraw/zinc/67/16/58/562671658.db2.gz FNRVMLFYIIGIFD-MZEFUWLPSA-N 2 0 578.801 6.864 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C[C@@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)CC2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049710562 562671739 /nfs/dbraw/zinc/67/17/39/562671739.db2.gz HTQKTNRSWIAEAD-LOYHVIPDSA-N 2 0 685.740 7.118 1 0 KKAFRP CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049711066 562671904 /nfs/dbraw/zinc/67/19/04/562671904.db2.gz SNNODSZWAZYCAO-HOSLSIPZSA-N 2 0 604.883 7.985 1 0 KKAFRP O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCC(Oc2ccc(F)cc2)CC1)c1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000049711267 562672039 /nfs/dbraw/zinc/67/20/39/562672039.db2.gz CLFJUCRNTWZXOC-HKBQPEDESA-N 2 0 573.753 5.965 1 0 KKAFRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049723106 562672948 /nfs/dbraw/zinc/67/29/48/562672948.db2.gz QETBJDUNCHATJL-KAYWLYCHSA-N 2 0 611.230 7.077 1 0 KKAFRP CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049723108 562672954 /nfs/dbraw/zinc/67/29/54/562672954.db2.gz QETBJDUNCHATJL-SXOMAYOGSA-N 2 0 611.230 7.077 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3cccc(C[NH2+]C4CCCC4)c3)c2)C(=O)/C=C/c2ccccc2)CC1 ZINC000049745081 562673635 /nfs/dbraw/zinc/67/36/35/562673635.db2.gz VFAFFJBOGKUMJP-VHEBQXMUSA-N 2 0 550.791 6.065 1 0 KKAFRP CC(C)c1ccc(C(=O)C[C@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2ccc(C(C)C)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746157 562674289 /nfs/dbraw/zinc/67/42/89/562674289.db2.gz PIQAJRNFDVDTPE-COCZKOEFSA-N 2 0 730.994 9.314 1 0 KKAFRP COc1ccc(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@H](CC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746746 562674593 /nfs/dbraw/zinc/67/45/93/562674593.db2.gz PZCAJRBMLAWARR-XPSQVAKYSA-N 2 0 706.884 7.084 1 0 KKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000049757241 562675753 /nfs/dbraw/zinc/67/57/53/562675753.db2.gz VXJOOTNFWSEXEQ-MAZIBIHTSA-N 4 0 560.830 6.728 1 0 KKAFRP CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049757254 562675796 /nfs/dbraw/zinc/67/57/96/562675796.db2.gz HPLZUCRTJYQHAL-MOEOKTRKSA-N 2 0 576.829 7.349 1 0 KKAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049775771 562679238 /nfs/dbraw/zinc/67/92/38/562679238.db2.gz NSFKHZGCJSIWPO-UHFFFAOYSA-N 2 0 676.950 6.769 1 0 KKAFRP O=C(COc1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C1CC[NH2+]CC1 ZINC000049777001 562679481 /nfs/dbraw/zinc/67/94/81/562679481.db2.gz VOCYICMRNFEKHT-UHFFFAOYSA-N 2 0 545.727 5.770 1 0 KKAFRP O=C(NCCC[NH2+]CCC[NH2+]CCCNC(=O)NC(=O)N(c1ccccc1)c1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000049777131 562679680 /nfs/dbraw/zinc/67/96/80/562679680.db2.gz LZDFHUNGZBCXTJ-UHFFFAOYSA-N 2 0 664.811 5.851 1 0 KKAFRP S=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=S)NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000049777655 562680371 /nfs/dbraw/zinc/68/03/71/562680371.db2.gz RXTRQBQUOYGUBH-UHFFFAOYSA-N 2 0 709.086 7.099 1 0 KKAFRP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780086 562681357 /nfs/dbraw/zinc/68/13/57/562681357.db2.gz RMUPNRJFGFALOJ-ZWZQZIPJSA-N 3 0 685.846 7.200 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@](C[NH2+]CC2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780643 562682016 /nfs/dbraw/zinc/68/20/16/562682016.db2.gz PMHUNWICIAERSX-PSXMRANNSA-N 3 0 595.869 6.246 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCCCC2)C1 ZINC000049780747 562682192 /nfs/dbraw/zinc/68/21/92/562682192.db2.gz ZYTHVNRUMLLILA-UHFFFAOYSA-N 2 0 613.816 5.341 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1ccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049780842 562682370 /nfs/dbraw/zinc/68/23/70/562682370.db2.gz NHTHTCWTEFAIPZ-UHFFFAOYSA-N 2 0 644.860 7.881 1 0 KKAFRP CC[N@@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780916 562682494 /nfs/dbraw/zinc/68/24/94/562682494.db2.gz BNQVFVPZXLTYLM-SANMLTNESA-N 2 0 656.819 5.297 1 0 KKAFRP c1ccc2c(c1)CCN1CCc3cc(OCCCCOc4ccc5c(c4)CCN4CCc6ccccc6[C@@H]54)ccc3[C@@H]21 ZINC000049783927 562683300 /nfs/dbraw/zinc/68/33/00/562683300.db2.gz YFPJWCABOINEPJ-MAZIBIHTSA-N 2 0 556.750 6.932 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCCCCCCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049784966 562683874 /nfs/dbraw/zinc/68/38/74/562683874.db2.gz JOEFRIMLKLPXRJ-UHFFFAOYSA-N 2 0 674.886 7.746 1 0 KKAFRP C[N@H+](CCSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F)Cc1ccccc1 ZINC000049793918 562685292 /nfs/dbraw/zinc/68/52/92/562685292.db2.gz GNHDIZUBXGETER-UHFFFAOYSA-N 2 0 732.939 5.588 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CC[NH+]5CCCC5)cc4)c3)c2)cc1 ZINC000049832991 562687365 /nfs/dbraw/zinc/68/73/65/562687365.db2.gz WPGYXNGGUZQJIC-UHFFFAOYSA-N 2 0 730.870 6.684 1 0 KKAFRP Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCCC[NH+](C)C)ncn1 ZINC000049872013 562689689 /nfs/dbraw/zinc/68/96/89/562689689.db2.gz RCFMYOVNMVCRHQ-UHFFFAOYSA-N 2 0 602.665 6.892 1 0 KKAFRP CCCC[NH+](CCCC)CCCN(CCC[NH+](CCCC)CCCC)c1cc(C)nc(Nc2ccc(Br)cc2)n1 ZINC000049917747 562693836 /nfs/dbraw/zinc/69/38/36/562693836.db2.gz PEALLRRJLWQILT-UHFFFAOYSA-N 2 0 617.765 8.682 1 0 KKAFRP O=C(c1cccs1)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917798 562693930 /nfs/dbraw/zinc/69/39/30/562693930.db2.gz WQAZPXDCYYSYOG-UHFFFAOYSA-N 2 0 599.844 8.054 1 0 KKAFRP C[C@H](CCCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917888 562694074 /nfs/dbraw/zinc/69/40/74/562694074.db2.gz NXNJEADLUQDOKB-RPBOFIJWSA-N 2 0 554.606 7.476 1 0 KKAFRP CCOc1cccc2[nH+]c(NCCC[NH2+]Cc3ccc(Cl)c(Cl)c3)cc(NCCC[NH2+]Cc3ccc(Cl)c(Cl)c3)c21 ZINC000049918101 562694423 /nfs/dbraw/zinc/69/44/23/562694423.db2.gz LIJLSBRKEONNJN-UHFFFAOYSA-N 3 0 635.467 8.431 1 0 KKAFRP C[C@@H](Cc1ccc(CNC(=O)c2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049918193 562694602 /nfs/dbraw/zinc/69/46/02/562694602.db2.gz MVLHSUZWHPZITR-SVBPBHIXSA-N 2 0 602.650 7.450 1 0 KKAFRP CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058506527 562698357 /nfs/dbraw/zinc/69/83/57/562698357.db2.gz SPJRZFQSMUVKQV-ZQWQDMLBSA-N 3 0 633.929 6.113 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(CO)CC[C@@H](CO)c3c(CC[N@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000058553391 562699234 /nfs/dbraw/zinc/69/92/34/562699234.db2.gz JUIDNHMRFHXGSO-SOYKYGLFSA-N 2 0 624.914 7.057 1 0 KKAFRP CCC[NH+](CCC)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064348865 562704764 /nfs/dbraw/zinc/70/47/64/562704764.db2.gz WPFJNBQSGBXUAA-FLBADVGZSA-N 2 0 560.818 5.994 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCCCC3)c(C)c2)cc(C)c1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000064512905 562706309 /nfs/dbraw/zinc/70/63/09/562706309.db2.gz CSGHEFPBRMHRMG-HEVIKAOCSA-N 2 0 594.881 6.478 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000066065958 562709232 /nfs/dbraw/zinc/70/92/32/562709232.db2.gz YCNOXWXLGBFFOF-UMSFTDKQSA-N 2 0 626.798 6.577 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1ccc(C(c2ccc(F)cc2)(c2ccc(NC(=O)C[NH+]3CCCC3)cc2)C(F)(F)F)cc1 ZINC000066098212 562710901 /nfs/dbraw/zinc/71/09/01/562710901.db2.gz HHBVDYJPPQZRKS-UHFFFAOYSA-N 2 0 582.642 5.791 1 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1CC(C)C)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066111873 562711904 /nfs/dbraw/zinc/71/19/04/562711904.db2.gz DYYNTQLJPFNDIM-MKUCVZMMSA-N 3 0 606.731 6.181 3 0 KKAFRP OCC1([NH+]2CCC(n3c4ccccc4nc3N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)CC2)CCCCCCC1 ZINC000066112465 562712013 /nfs/dbraw/zinc/71/20/13/562712013.db2.gz ISIVFOIKEDCWTH-FQLXRVMXSA-N 2 0 541.784 5.717 1 0 KKAFRP OCC1([NH+]2CCC(n3c4ccccc4nc3N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)CCCCCCC1 ZINC000066112464 562712052 /nfs/dbraw/zinc/71/20/52/562712052.db2.gz ISIVFOIKEDCWTH-VMPREFPWSA-N 2 0 541.784 5.717 1 0 KKAFRP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066113117 562712165 /nfs/dbraw/zinc/71/21/65/562712165.db2.gz FWEGLSILLSAIEM-BENTYHEHSA-N 3 0 612.694 5.597 3 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@H+](Cc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071318852 562718585 /nfs/dbraw/zinc/71/85/85/562718585.db2.gz QYAXGGUCDQSHIT-JGCGQSQUSA-N 2 0 613.246 7.513 1 0 KKAFRP C[C@H]1C=C(CCCCCCC[C@@H](O)C[NH+](C)CCC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719534 /nfs/dbraw/zinc/71/95/34/562719534.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 2 0 578.835 5.167 1 0 KKAFRP CC(=[NH2+])Nc1ccc(-c2ccc(-c3ccc(NC(C)=[NH2+])cc3OC3CCCC3)o2)c(OC2CCCC2)c1 ZINC000072114202 562722637 /nfs/dbraw/zinc/72/26/37/562722637.db2.gz WMJWOISWOGWIRL-UHFFFAOYSA-N 2 0 500.643 8.075 1 0 KKAFRP O=C(CC[NH2+]CCCNc1c2ccccc2[nH+]c2c1CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072116740 562723202 /nfs/dbraw/zinc/72/32/02/562723202.db2.gz USRMGDJTJJOPSG-UHFFFAOYSA-N 2 0 569.709 6.684 1 0 KKAFRP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(C[C@@H](C)[NH2+]C[C@H](O)c3cc(O)cc(O)c3)c2)ccc1O)C(C)C ZINC000072134026 562727131 /nfs/dbraw/zinc/72/71/31/562727131.db2.gz LKCQOFXWGIJPPL-KPNPWFHDSA-N 2 0 695.945 6.990 1 0 KKAFRP CC[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147658 562729802 /nfs/dbraw/zinc/72/98/02/562729802.db2.gz GETZVQZESTVPJG-WDYNHAJCSA-N 2 0 645.071 7.407 1 0 KKAFRP Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CC[NH2+]C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147861 562729947 /nfs/dbraw/zinc/72/99/47/562729947.db2.gz XSXZYRYZCOSQCP-JSOSNVBQSA-N 2 0 671.109 7.592 1 0 KKAFRP CC(C)(C)c1ccc(C(=[NH2+])Nc2ccc(Oc3ccc(Oc4ccc(NC(=[NH2+])c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1 ZINC000073195965 562734964 /nfs/dbraw/zinc/73/49/64/562734964.db2.gz UKJOHDGXBSJHEU-UHFFFAOYSA-N 2 0 610.802 10.741 1 0 KKAFRP COc1cc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000073198705 562735802 /nfs/dbraw/zinc/73/58/02/562735802.db2.gz LHUBQSLBXQKSEG-UHFFFAOYSA-N 2 0 568.758 7.302 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000073369118 562738361 /nfs/dbraw/zinc/73/83/61/562738361.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 2 0 606.719 6.874 1 0 KKAFRP COc1cc(C[NH2+]CCCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000082152619 562740049 /nfs/dbraw/zinc/74/00/49/562740049.db2.gz ZGDOQIIDWYIVGP-UHFFFAOYSA-N 2 0 540.704 6.521 1 0 KKAFRP Oc1ccc(Cl)cc1C1=NC(NCN2CCN(CNC3=[NH+][C@H](c4ccccc4)CC(c4cc(Cl)ccc4O)=N3)CC2)=[NH+][C@@H](c2ccccc2)C1 ZINC000082182181 562742166 /nfs/dbraw/zinc/74/21/66/562742166.db2.gz UZOMFRBVMGNAOS-MEKGRNQZSA-N 2 0 709.682 6.397 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1c(Sc2cnc3cc(Cl)ccc3c2N[C@@H](C)CCC[NH+](CC)CC)cnc2cc(Cl)ccc21 ZINC000082186221 562742392 /nfs/dbraw/zinc/74/23/92/562742392.db2.gz DOYHRGZIVRVEAC-WMPKNSHKSA-N 2 0 669.811 10.086 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1c(Sc2cnc3cc(Cl)ccc3c2N[C@H](C)CCC[NH+](CC)CC)cnc2cc(Cl)ccc21 ZINC000082186227 562742399 /nfs/dbraw/zinc/74/23/99/562742399.db2.gz DOYHRGZIVRVEAC-CLJLJLNGSA-N 2 0 669.811 10.086 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1cc2c3cc(NC(=O)CC[NH+](CC)CC)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084670586 562748320 /nfs/dbraw/zinc/74/83/20/562748320.db2.gz JHURFEKCOVVZCL-UHFFFAOYSA-N 2 0 583.741 5.033 1 0 KKAFRP c1nc(-c2ccc(OCC[NH+]3CCCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(OCC[NH+]4CCCC4)cc3)o2)c1 ZINC000084672487 562748817 /nfs/dbraw/zinc/74/88/17/562748817.db2.gz AJQSFJBDXBUUOQ-UHFFFAOYSA-N 2 0 590.724 7.280 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)CC[NH+](CC)CC)cc6)nn5)cc4c3)nn2)cc1 ZINC000084687739 562748982 /nfs/dbraw/zinc/74/89/82/562748982.db2.gz PRUMESUIUMMPCV-UHFFFAOYSA-N 2 0 698.876 6.676 1 0 KKAFRP O=C(C[NH+]1CCCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)C[NH+]7CCCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084725221 562751251 /nfs/dbraw/zinc/75/12/51/562751251.db2.gz MTKRJYRPSLSHBS-UHFFFAOYSA-N 2 0 694.844 6.184 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12 ZINC000095535824 562753864 /nfs/dbraw/zinc/75/38/64/562753864.db2.gz VXODSULDKIRPQH-UHFFFAOYSA-N 2 0 786.634 12.481 1 0 in-vivo KKAFRP C[NH+](CCNC(=O)CCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536808 562754159 /nfs/dbraw/zinc/75/41/59/562754159.db2.gz LCYYYKXWTFZHIV-UHFFFAOYSA-N 2 0 791.740 5.692 1 0 KKAFRP [NH3+]CCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095542001 562756472 /nfs/dbraw/zinc/75/64/72/562756472.db2.gz OJRPKGHYHXYQNY-YDAXCOIMSA-N 2 0 818.797 7.533 1 0 KKAFRP CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)[NH2+]Cc1cccc(C[NH3+])c1 ZINC000095543073 562757042 /nfs/dbraw/zinc/75/70/42/562757042.db2.gz XHVWVRVMAWQJBS-DUIZBUMMSA-N 2 0 790.026 5.299 1 0 KKAFRP COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4Cc5nc6ccccc6nc5C[C@@]34CC[N@@H+]2C)c2c(c1O)[C@@]13CC[NH+](C)[C@@H](C2)[C@H]1Cc1nc2ccccc2nc1C3 ZINC000095548712 562759379 /nfs/dbraw/zinc/75/93/79/562759379.db2.gz NPWHMSGUGLSZEV-FBKDISQOSA-N 2 0 772.950 6.494 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095573990 562769848 /nfs/dbraw/zinc/76/98/48/562769848.db2.gz LUJPPSLEDAYBGR-AIMWIADMSA-N 2 0 534.785 6.120 1 0 KKAFRP COCCc1sc[n+](CCCCc2ccc3ccc(CCCC[n+]4csc(CCOC)c4C)cc3c2)c1C ZINC000095596437 562776959 /nfs/dbraw/zinc/77/69/59/562776959.db2.gz ZYWQORSIDFAVQB-UHFFFAOYSA-N 2 0 552.850 6.578 1 0 KKAFRP COCCc1sc[n+](CCCCc2ccc(-c3ccc(CCCC[n+]4csc(CCOC)c4C)cc3)cc2)c1C ZINC000095598279 562777376 /nfs/dbraw/zinc/77/73/76/562777376.db2.gz KKIBFBQRRIYUPU-UHFFFAOYSA-N 2 0 578.888 7.092 1 0 KKAFRP C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095599783 562778310 /nfs/dbraw/zinc/77/83/10/562778310.db2.gz JBTWBXKZNZMQHX-REYAJUCUSA-N 2 0 602.776 5.111 1 0 KKAFRP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095606914 562782526 /nfs/dbraw/zinc/78/25/26/562782526.db2.gz IZCZXQSGSYYKSO-GOFGAPPUSA-N 3 0 761.944 8.423 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095606941 562782532 /nfs/dbraw/zinc/78/25/32/562782532.db2.gz CISZZHPGYPWFDW-UWLBBLPVSA-N 3 0 769.923 8.406 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCCCCCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000095615904 562787628 /nfs/dbraw/zinc/78/76/28/562787628.db2.gz HXPLFONFARJCJA-UHFFFAOYSA-N 2 0 770.969 10.442 1 0 in-vitro KKAFRP COc1cc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4cc(OC)c(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CC[NH+](C)CC1 ZINC000095617213 562787917 /nfs/dbraw/zinc/78/79/17/562787917.db2.gz VRHQZPFNZWICEO-BQYQJAHWSA-N 2 0 800.950 6.953 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCCC/C=C/CCCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000095617225 562787931 /nfs/dbraw/zinc/78/79/31/562787931.db2.gz KXMQPXVTTWERBS-AATRIKPKSA-N 2 0 768.952 7.716 1 0 KKAFRP Oc1ccc2c3c1O[C@H]1C4=C(C[C@@]5(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]315)C(c1ccccc1)C1=C(O4)[C@@H]2Oc3c4c(ccc3O)C[C@H]3[N@H+](CC5CC5)CC[C@]42[C@@]3(O)C1 ZINC000096178788 562792730 /nfs/dbraw/zinc/79/27/30/562792730.db2.gz AKPAHSIBCCFBBS-BHVVMNDNSA-N 2 0 752.908 5.468 1 0 KKAFRP O=c1[nH]c2ccccc2n2c(-c3ccc[n+](CCCCCC[n+]4cccc(-c5nc(-c6ccccc6)c6c(=O)[nH]c7ccccc7n56)c4)c3)nc(-c3ccccc3)c12 ZINC000096913544 562800221 /nfs/dbraw/zinc/80/02/21/562800221.db2.gz PMDKMTWCKFXZKY-UHFFFAOYSA-P 2 0 760.902 8.993 1 0 KKAFRP CCOc1ccc(CC[NH2+][C@H](CN[C@H](C[NH2+]C)Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 ZINC000096921316 562801376 /nfs/dbraw/zinc/80/13/76/562801376.db2.gz JOQMDCCODDZKIY-ZPGRZCPFSA-N 2 0 545.771 6.555 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c1 ZINC000096922781 562801896 /nfs/dbraw/zinc/80/18/96/562801896.db2.gz NWOKWUPZIWJTKF-UHFFFAOYSA-N 4 0 734.782 7.636 1 0 KKAFRP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938528 562804518 /nfs/dbraw/zinc/80/45/18/562804518.db2.gz WUVYJJYSJQKVKA-UHFFFAOYSA-N 2 0 524.553 6.789 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)C(CCCCC)C1C(=O)OCC[NH+](C)Cc1ccccc1 ZINC000100033938 562806240 /nfs/dbraw/zinc/80/62/40/562806240.db2.gz ZRTPUCOSWVPGMB-LBCAVENHSA-N 3 0 561.767 6.525 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4SC)CC3)c2)C1C(=O)OC ZINC000100058449 562806489 /nfs/dbraw/zinc/80/64/89/562806489.db2.gz BJKLGPZVKHATJB-SLPYKNDMSA-N 2 0 607.777 5.210 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1CCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696119 562811763 /nfs/dbraw/zinc/81/17/63/562811763.db2.gz JKABQKSBPGSKAQ-JOCHJYFZSA-N 2 0 596.753 5.677 1 0 KKAFRP CC(=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000103230574 562818173 /nfs/dbraw/zinc/81/81/73/562818173.db2.gz ICTXCYLVDRAYMO-UHFFFAOYSA-N 2 0 552.803 8.175 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240393 562819465 /nfs/dbraw/zinc/81/94/65/562819465.db2.gz ZSZLFTIBFWOBBQ-UUWRZZSWSA-N 2 0 587.772 5.183 1 0 KKAFRP C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C[NH2+]Cc3ccc4c(c3)CO[C@@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21 ZINC000103245960 562819781 /nfs/dbraw/zinc/81/97/81/562819781.db2.gz IEHAMLTURQLYEH-ZAQUEYBZSA-N 3 0 639.831 7.486 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1 ZINC000103262564 562821636 /nfs/dbraw/zinc/82/16/36/562821636.db2.gz OXXBKOUHROTSGV-UHFFFAOYSA-N 2 0 506.738 5.590 1 0 in-vitro KKAFRP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000103287602 562823903 /nfs/dbraw/zinc/82/39/03/562823903.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 2 0 608.735 6.440 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH2+][C@H]3CC[C@@H]([NH3+])CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118787429 562830566 /nfs/dbraw/zinc/83/05/66/562830566.db2.gz WDKPXBMAYNJPHO-KDJDBCDDSA-N 2 0 576.181 7.125 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH2+]C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794620 562830679 /nfs/dbraw/zinc/83/06/79/562830679.db2.gz KHAYFXPJPHDPRJ-JBRBIWQXSA-N 2 0 562.154 6.607 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH2+]C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794621 562830687 /nfs/dbraw/zinc/83/06/87/562830687.db2.gz KHAYFXPJPHDPRJ-MVCRGFCOSA-N 2 0 562.154 6.607 1 0 KKAFRP [NH2+]=c1ccn(CCCC=C(CCCCn2ccc(=[NH2+])c3ccccc32)CCCCn2ccc(=[NH2+])c3ccccc32)c2ccccc12 ZINC000137880552 562831623 /nfs/dbraw/zinc/83/16/23/562831623.db2.gz RICWSWUQOVCBFE-UHFFFAOYSA-N 3 0 608.834 8.437 1 0 KKAFRP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CC[NH+](CC3CCCCC3)CC2)C1=O ZINC000140620983 562833239 /nfs/dbraw/zinc/83/32/39/562833239.db2.gz NMUZOIPKNBIZNE-WNJJXGMVSA-N 2 0 506.779 5.847 1 0 KKAFRP C[C@H]1CCCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCCCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140667693 562833252 /nfs/dbraw/zinc/83/32/52/562833252.db2.gz IKHPFDZTDRAHRJ-IGKIAQTJSA-N 2 0 560.749 6.558 1 0 KKAFRP CN(C)[C@H]1CCC[N@H+](CC2CCN(c3nc(NCC[NH+]4CCCC4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146442444 562838591 /nfs/dbraw/zinc/83/85/91/562838591.db2.gz UULIHMCCZFOKID-SANMLTNESA-N 2 0 547.817 5.108 1 0 KKAFRP Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)nc21 ZINC000148288711 562840836 /nfs/dbraw/zinc/84/08/36/562840836.db2.gz BEJBLIGQDMLAOM-UHFFFAOYSA-N 2 0 607.807 5.485 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@@H](CCCCC)C1C(=O)OCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150351785 562843269 /nfs/dbraw/zinc/84/32/69/562843269.db2.gz SFDIEKIMWTVOJP-WRLFFHEQSA-N 2 0 706.972 8.367 1 0 KKAFRP CCCCNC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552313 562844614 /nfs/dbraw/zinc/84/46/14/562844614.db2.gz PMPCCRHJWGIZEY-PWRQVIKYSA-N 2 0 653.862 7.872 1 0 KKAFRP CCCCNC(=O)[C@H](c1ccc(F)cc1)N1CCC(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2cccc(F)c2)CC1 ZINC000150552316 562844626 /nfs/dbraw/zinc/84/46/26/562844626.db2.gz PMPCCRHJWGIZEY-YUJCASBFSA-N 2 0 653.862 7.872 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599121 562847000 /nfs/dbraw/zinc/84/70/00/562847000.db2.gz QSPIBHHBZOXRSN-JHOUSYSJSA-N 2 0 720.587 8.237 1 0 KKAFRP Cc1cc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc1NC(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163063062 562849294 /nfs/dbraw/zinc/84/92/94/562849294.db2.gz GDJRFZAXEHZNNO-BHVANESWSA-N 2 0 689.813 6.074 1 0 KKAFRP CC(C)[C@@H]([NH3+])C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000164802518 562849766 /nfs/dbraw/zinc/84/97/66/562849766.db2.gz PCKWZFJFZKRZJN-GGHFKMNMSA-N 2 0 661.646 5.837 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)OCCOC(=O)c2ccc(C[C@H](C)[NH2+]C[C@@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000165291283 562850088 /nfs/dbraw/zinc/85/00/88/562850088.db2.gz ZPBCJCLQSPKINQ-ZFJIRVGWSA-N 2 0 760.772 7.246 1 0 KKAFRP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H](O)c1ccc(OCCCCCCOc2ccc([C@@H](O)[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000169293597 562852082 /nfs/dbraw/zinc/85/20/82/562852082.db2.gz HOMPZAOREXDPRP-OJIVBCTESA-N 2 0 693.756 8.520 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(I)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294825 562852272 /nfs/dbraw/zinc/85/22/72/562852272.db2.gz AUXTVTYUZQXECF-AGJHSZMPSA-N 2 0 918.870 5.401 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(Br)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294829 562852323 /nfs/dbraw/zinc/85/23/23/562852323.db2.gz VZHMBDSSJSOBQJ-AGJHSZMPSA-N 2 0 871.870 5.559 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(C3CCCCC3)cc2)CC1 ZINC000169307075 562853713 /nfs/dbraw/zinc/85/37/13/562853713.db2.gz UXXQLRYGOCERCR-PGUFJCEWSA-N 2 0 592.832 6.169 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307061 562853717 /nfs/dbraw/zinc/85/37/17/562853717.db2.gz SLTCXVQIICRRLH-PGUFJCEWSA-N 2 0 587.768 6.215 1 0 KKAFRP CN(CCCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc2ccccc2c1 ZINC000169307063 562853724 /nfs/dbraw/zinc/85/37/24/562853724.db2.gz MNBAWANRFWUGBT-UUWRZZSWSA-N 2 0 561.774 7.149 1 0 KKAFRP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCCCC3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000169308405 562854060 /nfs/dbraw/zinc/85/40/60/562854060.db2.gz NPLQRTGSIYRGHT-XLJNKUFUSA-N 2 0 543.752 6.064 1 0 KKAFRP NC(=[NH2+])c1ccc(OCCCCCCCCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1 ZINC000169318686 562856100 /nfs/dbraw/zinc/85/61/00/562856100.db2.gz RPFSOMGYWMTNHN-UHFFFAOYSA-N 2 0 568.354 6.358 1 0 KKAFRP CCCC[NH+](CCCC)CCC[NH2+]C[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318825 562856121 /nfs/dbraw/zinc/85/61/21/562856121.db2.gz GCRBXCBZFWYJAB-JZYYHHLESA-N 2 0 550.872 8.074 1 0 KKAFRP C[NH+](C)CCCn1c(=O)c(CCCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ccccc21 ZINC000169319134 562856165 /nfs/dbraw/zinc/85/61/65/562856165.db2.gz OWRPCOONNYMSMY-HHHXNRCGSA-N 2 0 525.137 5.210 1 0 KKAFRP CCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321365 562856654 /nfs/dbraw/zinc/85/66/54/562856654.db2.gz PFKHPVGEFNIPDS-KKUQBAQOSA-N 3 0 543.841 6.431 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(F)cc3O)CC2)ccc1O ZINC000169321640 562856698 /nfs/dbraw/zinc/85/66/98/562856698.db2.gz YYNSODJGHSFYEU-DHUJRADRSA-N 2 0 700.874 6.342 1 0 KKAFRP CCCC[NH+](CCCC)CCCNC(=O)c1ccc2oc3ccc(C(=O)NCCC[NH+](CCCC)CCCC)cc3c2c1 ZINC000169325291 562857583 /nfs/dbraw/zinc/85/75/83/562857583.db2.gz BNCQAIMFRJWBGK-UHFFFAOYSA-N 2 0 592.869 7.630 1 0 KKAFRP CCCC[NH+](CCCC)CCCOc1ccc2sc3ccc(OCCC[NH+](CCCC)CCCC)cc3c2c1 ZINC000169328104 562858240 /nfs/dbraw/zinc/85/82/40/562858240.db2.gz UHCLDPQKWZWEOH-UHFFFAOYSA-N 2 0 554.885 9.397 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)ccc21 ZINC000169328785 562858395 /nfs/dbraw/zinc/85/83/95/562858395.db2.gz DSKJCPFBOUMPPP-WOJGMQOQSA-P 2 0 530.672 6.292 1 0 KKAFRP CCCCSc1ccc(NC(=[NH2+])NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=[NH2+])Nc2ccc(SCCCC)cc2)cc1 ZINC000169337225 562859990 /nfs/dbraw/zinc/85/99/90/562859990.db2.gz WHDVDFHFOQVSAE-UHFFFAOYSA-N 4 0 612.918 6.653 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCCCCC[NH+]3CCN(c4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342808 562861095 /nfs/dbraw/zinc/86/10/95/562861095.db2.gz MJOOYKDRCXTTQQ-JGCGQSQUSA-N 2 0 543.752 5.895 1 0 KKAFRP CC[C@@H]1C[N@H+](C)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3cc4[nH]c5c(c4cc3OC)CC[NH+]3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169361197 562864189 /nfs/dbraw/zinc/86/41/89/562864189.db2.gz YBBXESOBDXAWTH-AATMDUHTSA-N 2 0 706.928 6.569 1 0 KKAFRP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@@H]3OC=C5[C@@H]6N3c3ccccc3[C@@]63CC[NH+]6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000169362790 562864277 /nfs/dbraw/zinc/86/42/77/562864277.db2.gz AHKFGBZDFCALED-MAVBRTSASA-N 2 0 612.818 5.751 1 0 KKAFRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)O[C@@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703937 562868929 /nfs/dbraw/zinc/86/89/29/562868929.db2.gz PLWTZHJSHDGCFT-NDEPHWFRSA-N 2 0 523.508 5.751 1 0 KKAFRP CC(C)Cc1nc(-c2ccccc2)cn2c1nnc2[C@H](Cc1cccnc1)C(=O)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)[NH2+]Cc1cccc(C[NH3+])c1 ZINC000195354442 562871694 /nfs/dbraw/zinc/87/16/94/562871694.db2.gz XHVWVRVMAWQJBS-IJLZXJCXSA-N 2 0 790.026 5.299 1 0 KKAFRP CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(CCC[NH+](C)C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844573 562889361 /nfs/dbraw/zinc/88/93/61/562889361.db2.gz GYCRPGHZRBPWHR-UHFFFAOYSA-N 2 0 532.756 6.036 1 0 KKAFRP CCCC[C@H]1CN(CCCC[C@H]2C[NH+]=C(N)N2CCc2cccc(C(F)(F)F)c2)C(=[NH2+])N1CCCCC1CCCCC1 ZINC000299855448 562891658 /nfs/dbraw/zinc/89/16/58/562891658.db2.gz BBSQFOUMGPEZNH-KYJUHHDHSA-N 2 0 590.823 7.489 1 0 KKAFRP S=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(-c2ccc(C(=S)Nc3cccc(C4=[NH+]CCN4)c3)cc2)cc1 ZINC000299856824 562892010 /nfs/dbraw/zinc/89/20/10/562892010.db2.gz CGBMOGYXAJOZDG-UHFFFAOYSA-N 2 0 560.752 5.628 1 0 KKAFRP O=c1ccc2ccc(OCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299860242 562892926 /nfs/dbraw/zinc/89/29/26/562892926.db2.gz IWYTZZGVDJBXMG-UHFFFAOYSA-N 2 0 540.708 5.499 1 0 KKAFRP Cc1cc(=O)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299865039 562894282 /nfs/dbraw/zinc/89/42/82/562894282.db2.gz SMGUTCNZXGIUCJ-UHFFFAOYSA-N 2 0 526.681 5.027 1 0 KKAFRP COc1ccc(C[NH2+]C[C@@H](O)CN2CN(c3ccccc3)C3(CC[NH+](CCc4ccccc4-c4cccs4)CC3)C2=O)cc1 ZINC000299870186 562895449 /nfs/dbraw/zinc/89/54/49/562895449.db2.gz VZCPVUYGEXPLKF-WJOKGBTCSA-N 2 0 610.824 5.258 1 0 KKAFRP Cc1cc(C(=O)NCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299870705 562895572 /nfs/dbraw/zinc/89/55/72/562895572.db2.gz WTMCCDLGHBYXDM-QNGWXLTQSA-N 2 0 703.840 6.196 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccccc3)ccn(Cc3ccc(CCc4ccc(Cn5ccc(N(C)c6ccccc6)c6ccc(=[NH2+])c(C)c5-6)cc4)cc3)c1-2 ZINC000377790972 562895957 /nfs/dbraw/zinc/89/59/57/562895957.db2.gz HONWHOZZNVXTBR-UHFFFAOYSA-N 2 0 732.976 10.493 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(CCCc3ccc(Cn4ccc(=[NH2+])c5ccccc54)cc3)cc2)c2ccccc12 ZINC000377810345 562896007 /nfs/dbraw/zinc/89/60/07/562896007.db2.gz MEIVLPSLPFEKIV-UHFFFAOYSA-N 2 0 508.669 6.827 1 0 KKAFRP Cc1cc(NCCCCCCCCCC[NH+]=c2cc(C)n(Cc3ccccc3)c3ccccc32)c2ccccc2[nH+]1 ZINC000377819928 562896138 /nfs/dbraw/zinc/89/61/38/562896138.db2.gz YJQGQNOJHGKGNA-UHFFFAOYSA-N 2 0 544.787 8.410 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)-c3ccc(cc3)C[NH+]=C3C=CN(Cc4ccc(cc4)Cc4ccc(cc4)CN2C=C1)c1ccccc13 ZINC000377840041 562896261 /nfs/dbraw/zinc/89/62/61/562896261.db2.gz JXTPJASKLIIGJS-UHFFFAOYSA-N 2 0 658.849 10.304 1 0 KKAFRP Cc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(C)cc13 ZINC000377846425 562896360 /nfs/dbraw/zinc/89/63/60/562896360.db2.gz RIUOOVHLSOPKQH-UHFFFAOYSA-N 2 0 520.680 7.663 1 0 KKAFRP FC(F)(F)c1ccc2c(c1)N1C=CC2=[NH+]Cc2ccc(cc2)C[NH+]=C2C=CN(Cc3cccc(c3)C1)c1cc(C(F)(F)F)ccc12 ZINC000377846422 562896366 /nfs/dbraw/zinc/89/63/66/562896366.db2.gz KZNYDQVJLZVDTL-UHFFFAOYSA-N 2 0 628.620 9.084 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(C(=O)Nc3ccc(N=C4C=C[N@H+](CC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377848922 562896444 /nfs/dbraw/zinc/89/64/44/562896444.db2.gz IQHMCQCNAIQBLQ-UHFFFAOYSA-N 2 0 502.622 5.782 1 0 KKAFRP CCn1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2ccc(=[NH2+])cc1-2 ZINC000377848946 562896535 /nfs/dbraw/zinc/89/65/35/562896535.db2.gz XGDPDTFHEJVFLE-UHFFFAOYSA-O 2 0 518.645 5.721 1 0 KKAFRP C[C@H](COC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC[C@H](C)[NH+](C)C)cc3)nc(Oc3ccc(C(=O)OC[C@H](C)[NH+](C)C)cc3)n2)cc1)[NH+](C)C ZINC000653747707 562910491 /nfs/dbraw/zinc/91/04/91/562910491.db2.gz WYCXGHBIJHDQCV-GMQQYTKMSA-N 3 0 744.846 5.569 1 0 KKAFRP COc1cc([C@H]2[C@@H](C(=O)O[C@@H]3C[C@@H]4[C@@H](C[NH+](C)C[C@H]4C)[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)O[C@@H]2C[C@@H]3[C@@H](C[N@H+](C)C[C@H]3C)[C@@H]2C)ccc1O ZINC000653837704 562914748 /nfs/dbraw/zinc/91/47/48/562914748.db2.gz VQKTZIKAARDZIA-IOLRLOILSA-N 2 0 718.932 5.759 1 0 KKAFRP CC1(C)CCc2c([nH+]c3ccccc3c2NCCCCCCNc2c3ccccc3[nH+]c3c2CCC(C)(C)C3)C1 ZINC000653865371 562916184 /nfs/dbraw/zinc/91/61/84/562916184.db2.gz UXXCTIUZDLNATK-UHFFFAOYSA-N 2 0 534.792 7.741 1 0 KKAFRP O=C(NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916430 /nfs/dbraw/zinc/91/64/30/562916430.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 2 0 509.588 5.129 1 0 KKAFRP NC1=[NH+]CC[C@H](C(=CC(=O)[O-])[C@@H](CC[C@@H](CCC[C@H]([NH3+])CCCCCCO)c2ccc3ccccc3c2)NC2=[NH+]CC=C2)N1 ZINC000085510132 565134321 /nfs/dbraw/zinc/13/43/21/565134321.db2.gz WOWVUJRAZXEHIN-MEBAHOFVSA-N 2 0 601.816 5.426 1 0 biogenic,in-vitro KKAFRP COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CC[NH+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@@H+](C)CC3 ZINC000085540988 565139048 /nfs/dbraw/zinc/13/90/48/565139048.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 2 0 638.761 6.868 1 0 biogenic,in-vitro KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1C(=[N+](C)CC3)C2 ZINC000085541200 565139083 /nfs/dbraw/zinc/13/90/83/565139083.db2.gz CJCMFVKPNHUORP-MUUNZHRXSA-O 2 0 607.727 6.318 1 0 biogenic,in-vitro KKAFRP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000095919025 565189155 /nfs/dbraw/zinc/18/91/55/565189155.db2.gz KHNITWQNJMUVRC-KYJUHHDHSA-N 2 0 608.735 6.859 1 0 biogenic,in-vitro KKAFRP COc1cc2c3cc1Oc1c4c(cc(OC)c1OC)[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000103570203 565196982 /nfs/dbraw/zinc/19/69/82/565196982.db2.gz KHNITWQNJMUVRC-XZWHSSHBSA-N 2 0 608.735 6.859 1 0 biogenic,in-vitro KKAFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000017611660 717112803 /nfs/dbraw/zinc/11/28/03/717112803.db2.gz GVEAYVLWDAFXET-AFJLRFCXSA-N 2 0 572.875 6.111 1 0 KKAFRP Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCCC[NH+]2CCCCC2)CC1 ZINC000003828203 561683379 /nfs/dbraw/zinc/68/33/79/561683379.db2.gz WZJMYYHCUDSVPE-UHFFFAOYSA-N 2 0 537.192 7.335 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OC[C@H]([NH3+])CO)cc2)ccc1C[NH+]1CCCC1 ZINC000003832129 561683509 /nfs/dbraw/zinc/68/35/09/561683509.db2.gz WUWCCBLBZCVFIK-HSZRJFAPSA-N 2 0 518.679 5.168 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)c(Br)c1 ZINC000003834110 561683597 /nfs/dbraw/zinc/68/35/97/561683597.db2.gz QVDZMCVSIVITGR-UHFFFAOYSA-N 2 0 591.615 7.698 1 0 in-vitro KKAFRP CC(C)(C)OC(=O)N(CCCC[NH2+]Cc1ccc2ccccc2c1)CCC[NH2+]Cc1ccc2ccccc2c1 ZINC000005834350 561698901 /nfs/dbraw/zinc/69/89/01/561698901.db2.gz VTSYHPYLTZEBSF-UHFFFAOYSA-N 2 0 525.737 7.280 1 0 KKAFRP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCC[N@@H+]5C)c4)[nH+]c3c2)ccn1 ZINC000006716045 561702945 /nfs/dbraw/zinc/70/29/45/561702945.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 2 0 590.553 5.981 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCCC3)CCCCC1 ZINC000013473797 561714438 /nfs/dbraw/zinc/71/44/38/561714438.db2.gz ZCQVAGLFOBYHQJ-UHFFFAOYSA-N 2 0 534.792 9.185 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCCC3)CCCCC1 ZINC000013473796 561714477 /nfs/dbraw/zinc/71/44/77/561714477.db2.gz SQIANBUOIQPBJW-UHFFFAOYSA-N 2 0 520.765 8.795 1 0 KKAFRP CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000013686236 561724744 /nfs/dbraw/zinc/72/47/44/561724744.db2.gz VACZJUIZGZSWET-UHFFFAOYSA-N 2 0 532.128 6.267 1 0 KKAFRP CC[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4OC)c3)CC2)(c2ccccc2)CC1 ZINC000013686231 561724760 /nfs/dbraw/zinc/72/47/60/561724760.db2.gz OIZAFWVARZBXFK-UHFFFAOYSA-N 2 0 527.709 5.622 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@@H]3CCC[NH2+]C3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780312 561728996 /nfs/dbraw/zinc/72/89/96/561728996.db2.gz ZJNOPNNJFLEQBQ-PKTZIBPZSA-N 2 0 511.110 5.817 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000013802262 561730802 /nfs/dbraw/zinc/73/08/02/561730802.db2.gz YXSIJTCCPXNLJX-GDLZYMKVSA-N 2 0 509.641 6.237 1 0 KKAFRP COc1cc(C(C)=O)ccc1OCCC[NH+]1CCC(C([NH3+])(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824939 561732826 /nfs/dbraw/zinc/73/28/26/561732826.db2.gz FRYAMFCGKCOODT-UHFFFAOYSA-N 2 0 508.609 5.559 1 0 KKAFRP CCC1=C[C@H]2Cc3[nH+]c4ccccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947307 561744561 /nfs/dbraw/zinc/74/45/61/561744561.db2.gz GXUQYCUEEMXLQZ-WDYNHAJCSA-N 2 0 572.841 9.913 1 0 in-vivo KKAFRP c1ccc2c(c1)oc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026392357 561786054 /nfs/dbraw/zinc/78/60/54/561786054.db2.gz FFRKWKSQIOMKRL-UHFFFAOYSA-N 2 0 510.678 6.640 1 0 KKAFRP COc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026509332 561797101 /nfs/dbraw/zinc/79/71/01/561797101.db2.gz FTPLHYIUWQGIJY-UHFFFAOYSA-N 2 0 556.772 7.117 1 0 KKAFRP CCNc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026569115 561797643 /nfs/dbraw/zinc/79/76/43/561797643.db2.gz TUIJBYMDJQPEHM-UHFFFAOYSA-N 2 0 569.815 7.540 1 0 KKAFRP CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(CCC)Cc4ccccc4)C3)cc2)C1 ZINC000026753095 561820107 /nfs/dbraw/zinc/82/01/07/561820107.db2.gz OPGSAPXNXKJRSG-XPSQVAKYSA-N 2 0 622.898 6.988 1 0 KKAFRP C=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027102624 561839186 /nfs/dbraw/zinc/83/91/86/561839186.db2.gz QSUZBFMNLWFWDF-UHFFFAOYSA-N 2 0 538.757 7.579 1 0 KKAFRP O=C(c1c2ccc(O)cc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027107673 561840539 /nfs/dbraw/zinc/84/05/39/561840539.db2.gz LNAKXVCIKZWCMN-UHFFFAOYSA-N 2 0 556.728 6.454 1 0 KKAFRP CCN(C(=O)C[NH+](CC)CC)c1nc2cc3nc(N(CC)C(=O)C[NH+](CC)CC)sc3c(Br)c2s1 ZINC000027181021 561841712 /nfs/dbraw/zinc/84/17/12/561841712.db2.gz ODUCHZMWPIVHNT-UHFFFAOYSA-N 2 0 583.622 5.058 1 0 KKAFRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027181860 561841870 /nfs/dbraw/zinc/84/18/70/561841870.db2.gz WLIMHZYQJNAZBO-UMSFTDKQSA-N 2 0 707.847 7.151 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1nc2cc3nc(N[C@H](C)CCC[NH+](CC)CC)sc3cc2s1 ZINC000027187732 561842929 /nfs/dbraw/zinc/84/29/29/561842929.db2.gz MWIWYLDDMXUERN-WOJBJXKFSA-N 2 0 504.814 6.751 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209064 561846654 /nfs/dbraw/zinc/84/66/54/561846654.db2.gz PGEFKDAJUTWFED-OWTDGCFZSA-N 2 0 633.790 5.620 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209793 561846837 /nfs/dbraw/zinc/84/68/37/561846837.db2.gz UOCGAYIFCNPMRN-UTDZTPKCSA-N 2 0 590.721 5.508 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420733 561857704 /nfs/dbraw/zinc/85/77/04/561857704.db2.gz XTJMLCAUNHFIRS-KTUFXOJYSA-N 2 0 653.868 5.777 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027549287 561867566 /nfs/dbraw/zinc/86/75/66/561867566.db2.gz JICRZQUVMVWMQI-PSXMRANNSA-N 2 0 613.793 8.056 1 0 KKAFRP Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CCC[N@H+]1CC[C@]24CCCC[C@H]2[C@H]1Cc1ccc(O)cc14)CC3 ZINC000027564230 561871857 /nfs/dbraw/zinc/87/18/57/561871857.db2.gz PNJOCKWLEAAKCR-QTIGFWLISA-N 2 0 526.765 6.305 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000027636639 561874580 /nfs/dbraw/zinc/87/45/80/561874580.db2.gz OTWVLBKQGYFBJS-UHFFFAOYSA-N 2 0 503.094 5.036 1 0 KKAFRP Fc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)Cc2ccc(F)cc2)cc1 ZINC000027636767 561874615 /nfs/dbraw/zinc/87/46/15/561874615.db2.gz IUUONQCDOYTTHZ-UHFFFAOYSA-N 2 0 578.151 6.679 1 0 KKAFRP Clc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)Cc2ccc(Cl)cc2)cc1 ZINC000027641170 561875277 /nfs/dbraw/zinc/87/52/77/561875277.db2.gz YSWCWIQPMZZIQG-UHFFFAOYSA-N 2 0 611.061 7.707 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](Cc2ccnc3ccccc23)Cc2ccnc3ccccc23)CC1 ZINC000027643980 561875580 /nfs/dbraw/zinc/87/55/80/561875580.db2.gz MNENSRQYBWNZDD-UHFFFAOYSA-N 2 0 644.267 7.497 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](CC2CCCCC2)CC2CCCCC2)CC1 ZINC000027645538 561875834 /nfs/dbraw/zinc/87/58/34/561875834.db2.gz FBDDPYOHKWRBDJ-UHFFFAOYSA-N 2 0 554.267 7.161 1 0 KKAFRP [NH3+]CCCSC[C@@H](COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1)SCCC[NH3+] ZINC000027655685 561877412 /nfs/dbraw/zinc/87/74/12/561877412.db2.gz FZIQVWVPTTVWKF-AREMUKBSSA-N 2 0 560.789 6.066 1 0 KKAFRP [NH3+]CCC[NH+](Cc1ccc(OCCCc2ccccc2)cc1)Cc1ccc(OCCCc2ccccc2)cc1 ZINC000027657716 561878203 /nfs/dbraw/zinc/87/82/03/561878203.db2.gz JSNHSZNFNBOGOQ-UHFFFAOYSA-N 2 0 522.733 7.061 1 0 KKAFRP [NH3+]CCCC[NH+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000027711573 561879765 /nfs/dbraw/zinc/87/97/65/561879765.db2.gz GYAMCIYFMGAHKT-UHFFFAOYSA-N 2 0 618.432 9.199 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711299 561879810 /nfs/dbraw/zinc/87/98/10/561879810.db2.gz QJEHMTISNSKIMA-XADUZJDNSA-N 2 0 642.837 5.669 1 0 in-vivo KKAFRP Fc1ccc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000027899869 561890790 /nfs/dbraw/zinc/89/07/90/561890790.db2.gz JXGFZOZAGKSZCW-UHFFFAOYSA-N 4 0 558.846 7.485 1 0 KKAFRP CN(C)c1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028222028 561907385 /nfs/dbraw/zinc/90/73/85/561907385.db2.gz IHVGSSDNWKDQCG-UHFFFAOYSA-N 2 0 555.788 7.001 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCCCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256377 561911516 /nfs/dbraw/zinc/91/15/16/561911516.db2.gz OXAAGBQBYPOTMI-KKLWWLSJSA-N 2 0 676.950 8.499 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000028468042 561926482 /nfs/dbraw/zinc/92/64/82/561926482.db2.gz POSNNZQZGCCFGA-GPOMZPHUSA-N 2 0 531.744 6.380 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2cccc(C[n+]3ccc(N(C)c4ccc(Cl)cc4)cc3)c2)cc1 ZINC000028460018 561924873 /nfs/dbraw/zinc/92/48/73/561924873.db2.gz SAFHCDDXWAHHNJ-UHFFFAOYSA-N 2 0 541.526 7.201 1 0 KKAFRP CN(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522866 561929709 /nfs/dbraw/zinc/92/97/09/561929709.db2.gz FWSPPCXTUQYBKS-MUUNZHRXSA-N 2 0 502.669 5.595 1 0 KKAFRP COc1ccc(-c2cc(SC)n(-c3nc(N4CC[NH+](Cc5ccccc5)CC4)nc(N4CC[NH+](Cc5ccccc5)CC4)n3)n2)cc1OC ZINC000028527127 561932413 /nfs/dbraw/zinc/93/24/13/561932413.db2.gz REIDTCHJGMUOJN-UHFFFAOYSA-N 2 0 677.879 5.108 1 0 KKAFRP COc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000028571204 561939197 /nfs/dbraw/zinc/93/91/97/561939197.db2.gz CZFWPLJKZPVFAU-OLQUXKRTSA-N 2 0 581.801 5.709 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028646369 561945106 /nfs/dbraw/zinc/94/51/06/561945106.db2.gz MZRITYKFWALVDP-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646382 561945116 /nfs/dbraw/zinc/94/51/16/561945116.db2.gz VDJPVMKXBQABSL-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646350 561945174 /nfs/dbraw/zinc/94/51/74/561945174.db2.gz PAVIGVDFHAXYTL-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCCCCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641939 561943357 /nfs/dbraw/zinc/94/33/57/561943357.db2.gz KRFJIXKRVLEPHN-UHFFFAOYSA-N 2 0 646.832 6.965 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646427 561945351 /nfs/dbraw/zinc/94/53/51/561945351.db2.gz VYSCESBFRQRQCI-UUWRZZSWSA-N 2 0 612.756 6.709 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645951 561944647 /nfs/dbraw/zinc/94/46/47/561944647.db2.gz AVLVOARPRGUPQW-DHUJRADRSA-N 2 0 545.762 7.086 1 0 KKAFRP CC[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646150 561944677 /nfs/dbraw/zinc/94/46/77/561944677.db2.gz ZVQKMPSKLZYTED-JGCGQSQUSA-N 2 0 502.722 5.298 1 0 KKAFRP CCC[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646152 561944713 /nfs/dbraw/zinc/94/47/13/561944713.db2.gz PUOFIUKMNQWOPF-XIFFEERXSA-N 2 0 516.749 5.688 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646195 561944750 /nfs/dbraw/zinc/94/47/50/561944750.db2.gz NJQRVTFMTFWWTH-WJOKGBTCSA-N 2 0 505.150 5.422 1 0 KKAFRP CCC[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646155 561944782 /nfs/dbraw/zinc/94/47/82/561944782.db2.gz PUOFIUKMNQWOPF-MGBGTMOVSA-N 2 0 516.749 5.688 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646228 561944881 /nfs/dbraw/zinc/94/48/81/561944881.db2.gz IHHDHTXBALMXOF-HKBQPEDESA-N 2 0 538.702 5.788 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646198 561944911 /nfs/dbraw/zinc/94/49/11/561944911.db2.gz DHBLNDNHOSFWJG-HKBQPEDESA-N 2 0 549.601 5.531 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000028646286 561944965 /nfs/dbraw/zinc/94/49/65/561944965.db2.gz SFMOJNODHLUPIP-PGUFJCEWSA-N 2 0 572.813 6.229 1 0 KKAFRP [NH3+]CCCCCCCCN(CCCNc1cc[nH+]c2ccccc12)C(=O)/C=C/C(=O)NCCCNc1cc[nH+]c2ccccc12 ZINC000028650121 561945859 /nfs/dbraw/zinc/94/58/59/561945859.db2.gz OVNDXYRFVJTLKL-ISLYRVAYSA-N 3 0 609.819 5.888 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713740 561954146 /nfs/dbraw/zinc/95/41/46/561954146.db2.gz PIPYWPQTPXCKHJ-UHFFFAOYSA-N 2 0 650.864 7.948 1 0 KKAFRP Clc1cccc([C@H]([NH2+]CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000028822343 561966900 /nfs/dbraw/zinc/96/69/00/561966900.db2.gz KQRIKZLDGZORML-DIPNUNPCSA-N 3 0 645.723 6.748 1 0 KKAFRP Cc1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc(C)c3)cc(CCCCC[n+]3cccc(C)c3)c2)c1 ZINC000028861866 561971850 /nfs/dbraw/zinc/97/18/50/561971850.db2.gz LBRPPJQOVNLDDG-UHFFFAOYSA-N 3 0 564.882 7.713 1 0 KKAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2CC2CCCCC2)C1 ZINC000028864157 561972688 /nfs/dbraw/zinc/97/26/88/561972688.db2.gz LSHRYESREHPTKJ-UHFFFAOYSA-N 2 0 585.818 5.241 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864191 561972823 /nfs/dbraw/zinc/97/28/23/561972823.db2.gz QJMYPUOUIDONAU-HHHXNRCGSA-N 2 0 576.732 5.309 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccsc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953733 561982478 /nfs/dbraw/zinc/98/24/78/561982478.db2.gz FHOMZFVESVZMEP-IZLXSDGUSA-N 2 0 543.221 5.462 1 0 KKAFRP COc1ccc(C[NH+](Cc2ccc(OC)cc2)CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954020 561982890 /nfs/dbraw/zinc/98/28/90/561982890.db2.gz IMMFFEVWPDDTMS-RGULYWFUSA-N 2 0 687.369 7.331 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(F)cc4F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954001 561982917 /nfs/dbraw/zinc/98/29/17/561982917.db2.gz FNUGGCDLZJDZDX-WDYNHAJCSA-N 2 0 573.172 5.679 1 0 KKAFRP COc1ccc(C[N@H+](CC(C)C)CC2(N3CCN(C(=O)[C@H]4C[NH+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954018 561982926 /nfs/dbraw/zinc/98/29/26/561982926.db2.gz WTMUDPZCTIRNOU-GPOMZPHUSA-N 2 0 623.326 6.778 1 0 KKAFRP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)c(F)c1 ZINC000028954006 561982944 /nfs/dbraw/zinc/98/29/44/561982944.db2.gz JTBSIVANORDZHN-IHLOFXLRSA-N 2 0 585.208 5.548 1 0 KKAFRP CC(C)C[C@H](NC(=O)C[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960105 561983921 /nfs/dbraw/zinc/98/39/21/561983921.db2.gz FUIMTGKZSKSGAU-IARZGTGTSA-N 2 0 622.176 5.294 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(F)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953975 561982732 /nfs/dbraw/zinc/98/27/32/561982732.db2.gz OYWNSCSUSYGJRN-IHLOFXLRSA-N 2 0 555.182 5.540 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029040981 561990857 /nfs/dbraw/zinc/99/08/57/561990857.db2.gz DIRBFKOANBIWMV-VTZPFEBOSA-N 2 0 523.043 5.199 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H](NC(=O)CC[NH+](C)C)C(C)C)c1 ZINC000029131368 562002998 /nfs/dbraw/zinc/00/29/98/562002998.db2.gz ZNDISASWORBMME-NGCAANIMSA-N 2 0 596.260 5.186 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029390331 562017131 /nfs/dbraw/zinc/01/71/31/562017131.db2.gz PQEPTRHVJCVMTO-XAZDILKDSA-N 2 0 587.636 5.557 1 0 KKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc([C@@H]3CCC[N@H+]3C)c2)c1 ZINC000029489728 562029219 /nfs/dbraw/zinc/02/92/19/562029219.db2.gz XTJHNJARPZHDSR-HEVIKAOCSA-N 4 0 520.850 7.176 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCC(Cc5ccccc5)CC4)C3)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000029545229 562029589 /nfs/dbraw/zinc/02/95/89/562029589.db2.gz LHMXAZXVFTUCSN-ZRKBJOGQSA-N 2 0 674.974 7.073 1 0 KKAFRP CC(C)(C[C@@H]1CCC[NH2+]1)[C@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000034803757 562042549 /nfs/dbraw/zinc/04/25/49/562042549.db2.gz CREAHOIFFJGQJC-JYUFKMNQSA-N 2 0 523.681 5.383 1 0 KKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1(C(=O)OC)C[C@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000036286968 562054580 /nfs/dbraw/zinc/05/45/80/562054580.db2.gz GXLCMIZDIFTAHJ-BLXVMTDTSA-N 2 0 529.769 7.300 1 0 KKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])C[C@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2(C)C ZINC000036286964 562054683 /nfs/dbraw/zinc/05/46/83/562054683.db2.gz VQEZQHKNDTXZIP-JGUQNTGPSA-N 3 0 514.802 7.474 1 0 KKAFRP CCCN(CCC)C(=O)[C@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CCC)CCC)C3)cc2)C1 ZINC000038433018 562071859 /nfs/dbraw/zinc/07/18/59/562071859.db2.gz LCBHQIDVXKUJSD-KYJUHHDHSA-N 2 0 526.810 5.408 1 0 KKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4cc(Cl)ccc43)CC2)C1=O ZINC000040892431 562082708 /nfs/dbraw/zinc/08/27/08/562082708.db2.gz GCQBOMHBVPHVMB-MUUNZHRXSA-N 2 0 523.165 5.983 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000040951401 562086041 /nfs/dbraw/zinc/08/60/41/562086041.db2.gz RPCUFCHJHLNWDI-QHCPKHFHSA-N 2 0 513.682 5.700 1 0 KKAFRP CC(=O)Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000042806014 562089418 /nfs/dbraw/zinc/08/94/18/562089418.db2.gz HPLGHJKHKJOKPI-PNGMXGABSA-N 2 0 606.811 6.781 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC1)C2 ZINC000040979418 562087349 /nfs/dbraw/zinc/08/73/49/562087349.db2.gz IWFRXMAENNIBJM-XMMPIXPASA-N 2 0 527.709 6.090 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454673 560048089 /nfs/dbraw/zinc/04/80/89/560048089.db2.gz QRSIKBXDEMEDLL-NSOVKSMOSA-N 2 0 594.708 6.517 1 0 biogenic,in-vitro KKAFRP C[C@@H](NC(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c1)c1ccccc1 ZINC000044352611 562655217 /nfs/dbraw/zinc/65/52/17/562655217.db2.gz LXULCPVDXVJLBH-XGZFDELHSA-N 2 0 632.849 5.772 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCCN3CC[NH+](C)CC3)C(=O)NC3CCCCC3)c2)c1 ZINC000045168744 562658162 /nfs/dbraw/zinc/65/81/62/562658162.db2.gz YECFHYZGACYZIB-UHFFFAOYSA-N 2 0 533.805 5.581 1 0 KKAFRP CCCCOc1cc2ccccc2c(C[NH2+]CCCCCC[NH2+]Cc2cc(OCCCC)cc3ccccc32)c1 ZINC000045230133 562659568 /nfs/dbraw/zinc/65/95/68/562659568.db2.gz FYWDSTKWYZTIFN-UHFFFAOYSA-N 2 0 540.792 8.791 1 0 KKAFRP COc1ccc2ccc(OC)c(C[NH2+]CCCCCC[NH2+]Cc3c(OC)ccc4ccc(OC)cc43)c2c1 ZINC000045301242 562660471 /nfs/dbraw/zinc/66/04/71/562660471.db2.gz VDYYVPVQFJTEOO-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000045337537 562661424 /nfs/dbraw/zinc/66/14/24/562661424.db2.gz WEMBLLYMFYXKGZ-VWLOTQADSA-N 2 0 526.124 6.688 1 0 KKAFRP CN1CCC=C(c2nsnc2OCCCC[NH2+]CCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368836 562662213 /nfs/dbraw/zinc/66/22/13/562662213.db2.gz MCTLLLGXTWSHKF-UHFFFAOYSA-N 2 0 520.747 5.325 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2ccc(CN(C(=O)NCCc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000049604919 562665078 /nfs/dbraw/zinc/66/50/78/562665078.db2.gz WBIOZHCVZZZTIO-UHFFFAOYSA-N 2 0 588.840 7.518 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)Cc2cccc(F)c2)CC1 ZINC000049605074 562665256 /nfs/dbraw/zinc/66/52/56/562665256.db2.gz QXHYXSXVYPSPNV-UHFFFAOYSA-N 2 0 550.722 6.091 1 0 KKAFRP C[NH+](C)CC(=O)N(Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000049605324 562665675 /nfs/dbraw/zinc/66/56/75/562665675.db2.gz OPLDPJWPOFLJFT-UHFFFAOYSA-N 2 0 553.559 6.497 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605394 562665811 /nfs/dbraw/zinc/66/58/11/562665811.db2.gz CEPFXZVOWFSJRS-UHFFFAOYSA-N 2 0 614.878 8.195 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccc(-c2cccc(C[NH2+]C3CCCC3)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605704 562666197 /nfs/dbraw/zinc/66/61/97/562666197.db2.gz MLIOCJCTRGGWNN-UHFFFAOYSA-N 2 0 572.797 8.085 1 0 KKAFRP C[C@H](Cc1ccc(COc2ccc(C[C@@H](CO)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605709 562666200 /nfs/dbraw/zinc/66/62/00/562666200.db2.gz NFOBFPWDECPYDW-SFRLIIPVSA-N 2 0 591.623 7.071 1 0 KKAFRP C[C@@H](CCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605764 562666377 /nfs/dbraw/zinc/66/63/77/562666377.db2.gz REXBUNUZTPIOJH-ZEQRLZLVSA-N 2 0 540.579 7.086 1 0 KKAFRP O=C([C@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH2+]CC1 ZINC000049614047 562666545 /nfs/dbraw/zinc/66/65/45/562666545.db2.gz HQGVZEYQUVZHFL-XDSPJLLDSA-N 2 0 543.755 6.570 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]C4CCCC4)c3)cc2)C(=O)/C=C/c2ccccc2)CC1 ZINC000049626189 562667050 /nfs/dbraw/zinc/66/70/50/562667050.db2.gz SLXYNFMRMWKXRX-LVZFUZTISA-N 2 0 550.791 6.065 1 0 KKAFRP CCOc1cc(C[NH2+]CCCCCC[NH2+]Cc2cc(OCC)c(OCC)c3ccccc23)c2ccccc2c1OCC ZINC000049626164 562667083 /nfs/dbraw/zinc/66/70/83/562667083.db2.gz XARPJLBYLQQXBR-UHFFFAOYSA-N 2 0 572.790 8.028 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(CC[C@@H]2CCC[N@@H+]2C)Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049626929 562667473 /nfs/dbraw/zinc/66/74/73/562667473.db2.gz LEHJSOOXHVVXMH-UMSFTDKQSA-N 2 0 714.904 6.108 1 0 KKAFRP Cc1ccc2c(c1)nc(N1CCC([NH+]3CCCC3)CC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049670131 562668214 /nfs/dbraw/zinc/66/82/14/562668214.db2.gz DTQNBUHVSZINJH-UHFFFAOYSA-N 2 0 617.842 6.466 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)c(C(F)(F)F)c4)cc3)nc2c1 ZINC000049678606 562668617 /nfs/dbraw/zinc/66/86/17/562668617.db2.gz LFPMSTBMFYYPRQ-UHFFFAOYSA-N 2 0 638.698 8.231 1 0 KKAFRP COc1cc(C[NH+](Cc2ccc(C[NH+](Cc3ccc(O)c(OC)c3)Cc3ccc(O)c(OC)c3)cc2)Cc2ccc(O)c(OC)c2)ccc1O ZINC000049694532 562669455 /nfs/dbraw/zinc/66/94/55/562669455.db2.gz VXMZXJKHWMYEHI-UHFFFAOYSA-N 2 0 680.798 6.948 1 0 KKAFRP C[C@H](Cc1ccc(OCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049722547 562672171 /nfs/dbraw/zinc/67/21/71/562672171.db2.gz GPEYVRVVZFOWIB-QCJHFICMSA-N 2 0 651.675 7.350 1 0 KKAFRP COc1cccc(CNC(=O)c2cc(C[NH2+]Cc3ccccc3)ccc2-c2cccc(C[NH2+]Cc3ccc(-c4ccccc4)cc3)c2)c1 ZINC000049722852 562672619 /nfs/dbraw/zinc/67/26/19/562672619.db2.gz SIZMNWNMZZEQGT-UHFFFAOYSA-N 2 0 631.820 8.539 1 0 KKAFRP CN(C)C(=O)c1cc(C[NH2+]Cc2ccccc2)ccc1-c1cccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1 ZINC000049722872 562672663 /nfs/dbraw/zinc/67/26/63/562672663.db2.gz QHTJYTUPBGTRBC-UHFFFAOYSA-N 2 0 539.723 7.302 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(C(=O)NCCc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000049723313 562673204 /nfs/dbraw/zinc/67/32/04/562673204.db2.gz RTLQOWXZVALNCC-UHFFFAOYSA-N 2 0 588.840 7.518 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccccc2CN(C(=O)Nc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000049744884 562673538 /nfs/dbraw/zinc/67/35/38/562673538.db2.gz XTOHJPAGKDAPLI-UHFFFAOYSA-N 2 0 560.786 7.798 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCC3)ccc2-c2c1c1cc(OCC[NH+]3CCCC3)ccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000049757161 562675599 /nfs/dbraw/zinc/67/55/99/562675599.db2.gz IPZYLZLYIJIJEX-UHFFFAOYSA-N 3 0 646.832 6.537 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)cc2)C(=O)c2cccs2)CC1 ZINC000049757345 562675875 /nfs/dbraw/zinc/67/58/75/562675875.db2.gz MHCSZEZWWZGBJI-UHFFFAOYSA-N 2 0 566.815 6.027 1 0 KKAFRP CCCCCC(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049762083 562676284 /nfs/dbraw/zinc/67/62/84/562676284.db2.gz FOPQJACGJDMQLD-PFSZWSAMSA-N 2 0 661.935 8.375 1 0 KKAFRP Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC(C[NH+]5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775750 562679245 /nfs/dbraw/zinc/67/92/45/562679245.db2.gz KPWDQHNHIVGGNN-YTTGMZPUSA-N 2 0 630.899 5.804 1 0 KKAFRP Fc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777638 562680331 /nfs/dbraw/zinc/68/03/31/562680331.db2.gz ZSBIPLKZQFBMTM-ITMZJIMRSA-N 3 0 673.965 6.189 1 0 KKAFRP CCC[NH+](CCC)CCCN(CCC[NH+](CCC)CCC)c1cc(C)nc(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049778093 562680879 /nfs/dbraw/zinc/68/08/79/562680879.db2.gz VMJCIOVNPAPLBD-UHFFFAOYSA-N 2 0 611.717 8.275 1 0 KKAFRP CC(C)[C@@H](C[N@@H+]1CCC[C@@H]1CN1CC[NH2+]C[C@@H]1Cc1ccccc1)N1CC[NH+](CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780538 562681882 /nfs/dbraw/zinc/68/18/82/562681882.db2.gz KKVYINJCGJEOEP-ROZBJHDGSA-N 3 0 607.931 5.464 1 0 KKAFRP COc1ccccc1C1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)c3c2CC[NH2+]C3)CC1 ZINC000049780615 562681992 /nfs/dbraw/zinc/68/19/92/562681992.db2.gz QUUKJTUMCJOCFF-VWLOTQADSA-N 2 0 657.803 5.178 1 0 KKAFRP O=C1c2ccccc2C(=O)N1CCC[NH2+]CCCCCCCCCCCC[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000049784747 562683747 /nfs/dbraw/zinc/68/37/47/562683747.db2.gz RDHPUNKFEBLYPH-UHFFFAOYSA-N 2 0 574.766 5.439 1 0 KKAFRP Brc1cccc(CCC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802593 562685833 /nfs/dbraw/zinc/68/58/33/562685833.db2.gz ITVPHDKXOSLPJK-VPQGMAAXSA-N 3 0 748.898 7.203 1 0 KKAFRP CC[C@@H](C)CN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049802962 562686006 /nfs/dbraw/zinc/68/60/06/562686006.db2.gz XBKHTHKBQDTZPE-ODGOSVICSA-N 3 0 619.902 5.723 1 0 KKAFRP C[NH+](C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049832791 562687251 /nfs/dbraw/zinc/68/72/51/562687251.db2.gz UGXRNXXGEXPELZ-UHFFFAOYSA-N 2 0 679.877 5.602 1 0 KKAFRP C[NH2+][C@H](Cc1cc(Br)c(OC)c(Br)c1)C(=O)NCCCOc1c(Br)cc(CC[NH+](C)C)cc1Br ZINC000049850664 562688740 /nfs/dbraw/zinc/68/87/40/562688740.db2.gz JQPKMCKGRRFSFB-OAQYLSRUSA-N 2 0 729.146 5.565 1 0 KKAFRP C[NH+](C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049889524 562692156 /nfs/dbraw/zinc/69/21/56/562692156.db2.gz NAYBWUJUMHRBBW-UHFFFAOYSA-N 2 0 679.877 5.602 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000049898140 562692270 /nfs/dbraw/zinc/69/22/70/562692270.db2.gz PZZMVKASPNMPKJ-UHFFFAOYSA-N 2 0 714.861 8.881 1 0 in-vitro KKAFRP CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[NH+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2 ZINC000049899533 562693217 /nfs/dbraw/zinc/69/32/17/562693217.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 2 0 666.815 7.561 1 0 KKAFRP C[C@H](Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cc(Cl)c(N)c(Cl)c2)cc1)[NH2+]C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000049917542 562693576 /nfs/dbraw/zinc/69/35/76/562693576.db2.gz HRCNKNJVGSSUQT-QRWPHRFZSA-N 2 0 600.418 5.973 1 0 KKAFRP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H](O)c1ccc(OCCCCCCOc2ccc([C@@H](O)[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000049917622 562693670 /nfs/dbraw/zinc/69/36/70/562693670.db2.gz HOMPZAOREXDPRP-WHCYFSKDSA-N 2 0 693.756 8.520 1 0 KKAFRP C[C@H](Cc1ccc(CN(CC(N)=O)Cc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917813 562693941 /nfs/dbraw/zinc/69/39/41/562693941.db2.gz XFAQNBFQMXDPNG-ISILISOKSA-N 2 0 645.719 7.008 1 0 KKAFRP c1ccc2cc(C[NH+](CCC[NH2+]CCCC[N@H+](Cc3ccc4ccccc4c3)Cc3cccc4ccccc43)Cc3cccc4ccccc43)ccc2c1 ZINC000049938183 562695095 /nfs/dbraw/zinc/69/50/95/562695095.db2.gz BMSKNYGTYLJUGX-UHFFFAOYSA-N 3 0 705.990 11.764 1 0 KKAFRP Nc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(NC(=O)[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3SCC[NH3+])c2)c1SCC[NH3+] ZINC000049938394 562695299 /nfs/dbraw/zinc/69/52/99/562695299.db2.gz DLHHWZIWAALWRH-LJAQVGFWSA-N 3 0 693.899 5.537 1 0 KKAFRP CN(CCCCC[NH+]1CCCC1)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000049949621 562695698 /nfs/dbraw/zinc/69/56/98/562695698.db2.gz SXLKSZQOUGOJGV-QNGWXLTQSA-N 2 0 599.823 7.807 1 0 in-vivo KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=[NH2+] ZINC000058538245 562698817 /nfs/dbraw/zinc/69/88/17/562698817.db2.gz XSVALKFJZFDBQU-BSUMSBOOSA-N 3 0 659.967 6.647 1 0 KKAFRP C[C@H](COC(=O)NCCC[NH2+]CCCC[NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058660962 562701416 /nfs/dbraw/zinc/70/14/16/562701416.db2.gz PLHIOSXZSRYDER-MTWWYAHWSA-N 2 0 505.788 5.087 1 0 KKAFRP C[C@H](Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(Cl)c(N)c(Cl)c2)cc1)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000059671593 562702136 /nfs/dbraw/zinc/70/21/36/562702136.db2.gz HRCNKNJVGSSUQT-DLLJSCFTSA-N 2 0 600.418 5.973 1 0 KKAFRP C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000064512811 562706288 /nfs/dbraw/zinc/70/62/88/562706288.db2.gz VKUUNUNXIVLQGO-IZLXSDGUSA-N 2 0 631.044 7.017 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCCC1 ZINC000064513120 562706327 /nfs/dbraw/zinc/70/63/27/562706327.db2.gz ZQKXKIXTORFTET-MEKGRNQZSA-N 2 0 566.827 5.697 1 0 KKAFRP CC(C)[NH+]1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064549535 562708106 /nfs/dbraw/zinc/70/81/06/562708106.db2.gz HKJUUPKKOAGVDB-UHFFFAOYSA-N 2 0 586.144 6.123 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066112394 562712032 /nfs/dbraw/zinc/71/20/32/562712032.db2.gz LKMTURFCSVFFPV-DHUJRADRSA-N 2 0 634.869 6.433 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(F)c3)CC2)ccc1O ZINC000068106044 562715750 /nfs/dbraw/zinc/71/57/50/562715750.db2.gz UKIZSSAMRMJVHP-DHUJRADRSA-N 2 0 700.874 6.342 1 0 KKAFRP Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCCCC[NH3+])cc3)ccc2[nH+]1 ZINC000071317796 562718287 /nfs/dbraw/zinc/71/82/87/562718287.db2.gz AAEIJYARJYLTIS-UHFFFAOYSA-N 3 0 567.778 7.126 1 0 KKAFRP O=C(CC[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120045 562723952 /nfs/dbraw/zinc/72/39/52/562723952.db2.gz JIGGUHFOHWJPOA-UHFFFAOYSA-N 2 0 555.682 6.294 1 0 KKAFRP O=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=O)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000072120470 562724080 /nfs/dbraw/zinc/72/40/80/562724080.db2.gz QBBKROOEBFWIJH-UHFFFAOYSA-N 2 0 662.923 7.074 1 0 KKAFRP O=C(CC[NH2+]CCCNc1c2c([nH+]c3ccccc31)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072121431 562724278 /nfs/dbraw/zinc/72/42/78/562724278.db2.gz AWJGEENOHURINO-UHFFFAOYSA-N 2 0 541.655 5.904 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@@H+]1CCCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000072131710 562726764 /nfs/dbraw/zinc/72/67/64/562726764.db2.gz GQWSXILTLUTBAJ-PGUFJCEWSA-N 2 0 655.327 8.163 1 0 KKAFRP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1O)C(C)C ZINC000072131701 562726772 /nfs/dbraw/zinc/72/67/72/562726772.db2.gz AFTLTCTXIJHBOV-RZLWBAEQSA-N 2 0 732.000 7.378 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCCCCCCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072180621 562732567 /nfs/dbraw/zinc/73/25/67/562732567.db2.gz KYSXYGWNNOZOMD-UHFFFAOYSA-N 2 0 742.914 7.160 1 0 KKAFRP COc1cc(C[NH2+]CCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000073198372 562735694 /nfs/dbraw/zinc/73/56/94/562735694.db2.gz RMFAOUFPBXLEQO-UHFFFAOYSA-N 2 0 526.677 6.131 1 0 KKAFRP CC[NH+](CC)CCC[C@H](C)Nc1c(Sc2cnc3cc(Cl)ccc3c2N[C@@H](C)CCC[NH+](CC)CC)cnc2cc(Cl)ccc21 ZINC000082186225 562742423 /nfs/dbraw/zinc/74/24/23/562742423.db2.gz DOYHRGZIVRVEAC-UIOOFZCWSA-N 2 0 669.811 10.086 1 0 KKAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084619871 562745348 /nfs/dbraw/zinc/74/53/48/562745348.db2.gz QDDFYHFHWWVLRP-UHFFFAOYSA-N 2 0 664.899 5.014 1 0 KKAFRP C[N@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCC[NH+]2CCOCC2)c1 ZINC000084654380 562747252 /nfs/dbraw/zinc/74/72/52/562747252.db2.gz SBQAIYUBGADZLI-UHFFFAOYSA-N 2 0 565.711 5.065 1 0 KKAFRP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3[NH+](C)CC2 ZINC000084669643 562748036 /nfs/dbraw/zinc/74/80/36/562748036.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 2 0 594.708 6.556 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCNc4ccnc5cc(Cl)ccc54)cc3)s2)cc1 ZINC000084670781 562748370 /nfs/dbraw/zinc/74/83/70/562748370.db2.gz TYVDEZVTBOTKKY-UHFFFAOYSA-N 2 0 703.743 9.889 1 0 KKAFRP NC(=[NH2+])c1ccc(CC[NH+]2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000084688015 562749058 /nfs/dbraw/zinc/74/90/58/562749058.db2.gz GQSOOBQMDHASHL-UHFFFAOYSA-N 2 0 504.528 5.266 1 0 KKAFRP COc1ccc(C[C@H](NC(=O)Nc2ccc3c(C[NH+]4CCCC4)cn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cc1 ZINC000095535876 562753866 /nfs/dbraw/zinc/75/38/66/562753866.db2.gz BCXNFSKGOXTNLM-YDAXCOIMSA-N 2 0 840.857 6.398 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCCCNc4ccnc5cc(Cl)ccc54)cc3)s2)cc1 ZINC000095551673 562760392 /nfs/dbraw/zinc/76/03/92/562760392.db2.gz AQGPGQQOQJXOHE-UHFFFAOYSA-N 2 0 787.905 12.229 1 0 KKAFRP C[NH+](C)[C@H]1C[C@@H](C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4C[C@H]([NH+](C)C)CN4C(=O)OCc4ccccc4)cc3)cc2)N(C(=O)OCc2ccccc2)C1 ZINC000095558270 562762404 /nfs/dbraw/zinc/76/24/04/562762404.db2.gz PJPFZMLWFOTQIN-RMLJECJBSA-N 2 0 758.920 6.417 1 0 KKAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)CCC[NH+]2CCCCC2)nc2ccccc21 ZINC000095563875 562764105 /nfs/dbraw/zinc/76/41/05/562764105.db2.gz OTNNLBGUOOJPQD-UHFFFAOYSA-N 2 0 509.098 5.518 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(Cl)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095572261 562769387 /nfs/dbraw/zinc/76/93/87/562769387.db2.gz RZUNQYVVHQEDEQ-AGJHSZMPSA-N 2 0 827.419 5.450 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCSCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095573319 562769615 /nfs/dbraw/zinc/76/96/15/562769615.db2.gz UWOSVHLQBJCRKG-BWELLIPCSA-N 2 0 538.798 5.292 1 0 KKAFRP COCCc1sc[n+](CCCCc2ccc(CCCC[n+]3csc(CCOC)c3C)s2)c1C ZINC000095595479 562776712 /nfs/dbraw/zinc/77/67/12/562776712.db2.gz ASPYFLBACANETM-UHFFFAOYSA-N 2 0 508.819 5.487 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCCc1ccccc1 ZINC000095610183 562784230 /nfs/dbraw/zinc/78/42/30/562784230.db2.gz ICVPQEZUCKYNER-UWXQCODUSA-N 2 0 804.770 6.796 1 0 KKAFRP CSCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCC[NH3+] ZINC000095610220 562784237 /nfs/dbraw/zinc/78/42/37/562784237.db2.gz YIYYFXDXKAFEEU-LQJZCPKCSA-N 2 0 774.766 5.916 1 0 KKAFRP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@@H+]7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[NH+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786273 /nfs/dbraw/zinc/78/62/73/562786273.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 2 0 799.032 6.750 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)OCCOC(=O)c2ccc(C[C@H](C)[NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000095617228 562787921 /nfs/dbraw/zinc/78/79/21/562787921.db2.gz ZPBCJCLQSPKINQ-QBLOIGBRSA-N 2 0 760.772 7.246 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc(NC(=O)c5ccc6c(ccc[n+]6CCC)c5)cc4)cc3)ccc21 ZINC000095882112 562790162 /nfs/dbraw/zinc/79/01/62/562790162.db2.gz VIURGVWIVMQTBE-UHFFFAOYSA-P 2 0 623.757 7.145 1 0 KKAFRP CCCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)cc2)c1 ZINC000095882158 562790215 /nfs/dbraw/zinc/79/02/15/562790215.db2.gz JICIPDMOKVASHW-UHFFFAOYSA-P 2 0 601.751 6.772 1 0 KKAFRP CCCC[n+]1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCCC)c5)cc4)cc3)cc2)c1 ZINC000095891209 562790222 /nfs/dbraw/zinc/79/02/22/562790222.db2.gz ISQCEVVXFGLQAY-ZMOGYAJESA-P 2 0 696.852 7.271 1 0 KKAFRP COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CC[NH+](CC6CC[NH+](C)CC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000096175727 562791885 /nfs/dbraw/zinc/79/18/85/562791885.db2.gz ATOBZEHOHXWPDP-UHFFFAOYSA-N 2 0 648.734 5.820 1 0 KKAFRP C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2NC(=O)c2ccc(NC(=O)CC[NH2+]CCC[NH+](C)C)cc2)nc2ccccc21 ZINC000096258045 562792802 /nfs/dbraw/zinc/79/28/02/562792802.db2.gz GQMOUDKJIKBGEC-UHFFFAOYSA-N 3 0 631.225 5.436 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285564 562795858 /nfs/dbraw/zinc/79/58/58/562795858.db2.gz DAQOTHBGIZARGM-UHFFFAOYSA-N 2 0 602.779 6.776 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285566 562795861 /nfs/dbraw/zinc/79/58/61/562795861.db2.gz JBVVLTRVHVGZEU-UHFFFAOYSA-N 2 0 630.833 7.556 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096903121 562797781 /nfs/dbraw/zinc/79/77/81/562797781.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 2 0 780.840 9.392 1 0 KKAFRP COc1cccc(CN2CC[NH+](C[C@@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907751 562799190 /nfs/dbraw/zinc/79/91/90/562799190.db2.gz JIZBSLOZXTWCDC-QPJRMWCKSA-N 2 0 838.891 8.357 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000096911141 562800164 /nfs/dbraw/zinc/80/01/64/562800164.db2.gz JZEVKQSFRWVQJF-JHOUSYSJSA-N 2 0 570.608 7.464 1 0 KKAFRP C[NH2+]C[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096921306 562801388 /nfs/dbraw/zinc/80/13/88/562801388.db2.gz SDWRNFICZPSBPG-QXAPNINMSA-N 2 0 527.841 7.491 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]CC1(c2ccccc2)CC1 ZINC000096921309 562801397 /nfs/dbraw/zinc/80/13/97/562801397.db2.gz DVHHMOYDTREDMK-MPQUPPDSSA-N 2 0 527.756 6.646 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCCC3)ccc2c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000096922059 562801673 /nfs/dbraw/zinc/80/16/73/562801673.db2.gz UWUGELZQGPTUPZ-UHFFFAOYSA-N 3 0 679.902 7.721 1 0 KKAFRP [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](OCc3cccc4ccccc43)[C@H](OCc3cccc4ccccc43)[C@H]2[NH3+])[C@H](O)[C@H]1OCc1cccc2ccccc21 ZINC000096932609 562803426 /nfs/dbraw/zinc/80/34/26/562803426.db2.gz YUOINHFAIUMIFL-NGTUMBJYSA-N 3 0 743.901 5.051 1 0 KKAFRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938532 562804491 /nfs/dbraw/zinc/80/44/91/562804491.db2.gz RQILENLLHWUIRZ-UHFFFAOYSA-N 2 0 525.541 5.304 1 0 KKAFRP C/C=C1/C[NH+]2CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@H]24)c1ccccc1[C@@]71CC[N@H+]2C/C(=C/C)[C@@H]6C[C@H]21 ZINC000101452481 562810748 /nfs/dbraw/zinc/81/07/48/562810748.db2.gz XISKMNBBUQQBBE-CKFFPJIXSA-N 2 0 552.766 6.129 1 0 KKAFRP CCOC(=O)N1CC[NH+](CCCCCCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1 ZINC000102172977 562812832 /nfs/dbraw/zinc/81/28/32/562812832.db2.gz ABBXOBHUMXCOGM-PKQPGRETSA-N 2 0 593.813 5.032 1 0 KKAFRP COc1ccc2ccccc2c1C[NH+]1CCOCCOCC[NH+](Cc2c(OC)ccc3ccccc32)CCOCCOCC1 ZINC000102954290 562813697 /nfs/dbraw/zinc/81/36/97/562813697.db2.gz GBWBQAOVOFAEPQ-UHFFFAOYSA-N 2 0 602.772 5.394 1 0 KKAFRP Nc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c3c([nH+]c12)CCCC3 ZINC000103228736 562818003 /nfs/dbraw/zinc/81/80/03/562818003.db2.gz GVQOVWDFVYXHFJ-UHFFFAOYSA-N 2 0 521.753 7.987 1 0 KKAFRP CN(CCCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240411 562819444 /nfs/dbraw/zinc/81/94/44/562819444.db2.gz ZXIIEFDPYXNFCM-PSXMRANNSA-N 2 0 587.812 7.663 1 0 KKAFRP CN(CCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240406 562819488 /nfs/dbraw/zinc/81/94/88/562819488.db2.gz LZNDNAOHAWHCTF-UUWRZZSWSA-N 2 0 559.758 6.883 1 0 KKAFRP CCC[N@H+](CCCC[NH+]1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000103253157 562820463 /nfs/dbraw/zinc/82/04/63/562820463.db2.gz DEEUBMPGKJRJJU-SANMLTNESA-N 2 0 519.759 5.270 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](CC1=C(c3ccccc3)C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C1)[NH2+]CC2 ZINC000105223257 562825178 /nfs/dbraw/zinc/82/51/78/562825178.db2.gz SKPRLNUWCGPXAF-FQLXRVMXSA-N 2 0 526.677 5.755 1 0 KKAFRP COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC([NH3+])CC5)nc4)c3c2)cc(Cl)c1O ZINC000114033374 562826913 /nfs/dbraw/zinc/82/69/13/562826913.db2.gz YIWKFQSELCAGGE-UHFFFAOYSA-N 2 0 544.055 5.928 1 0 KKAFRP O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114979140 562828579 /nfs/dbraw/zinc/82/85/79/562828579.db2.gz MPWIOTFPHONUMI-JGCGQSQUSA-N 2 0 594.221 5.612 1 0 KKAFRP C[NH2+]Cc1cccc(F)c1-n1cc(C[NH+]2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 ZINC000117172490 562829704 /nfs/dbraw/zinc/82/97/04/562829704.db2.gz PETZZCNIISAXSO-UHFFFAOYSA-N 2 0 511.013 5.367 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH2+][C@H]3CC[C@@H]([NH3+])CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118787435 562830559 /nfs/dbraw/zinc/83/05/59/562830559.db2.gz WDKPXBMAYNJPHO-UEBGGKPUSA-N 2 0 576.181 7.125 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[N@H+](C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795435 562830653 /nfs/dbraw/zinc/83/06/53/562830653.db2.gz OQQLKHVTFRESEW-CYUPURTHSA-N 2 0 576.181 6.949 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[N@H+](C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795436 562830696 /nfs/dbraw/zinc/83/06/96/562830696.db2.gz OQQLKHVTFRESEW-GECAFNLLSA-N 2 0 576.181 6.949 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CCCCCCc1cnnn1CCNc1c3ccccc3[nH+]c3c1CCCC3)CC2 ZINC000139479855 562832540 /nfs/dbraw/zinc/83/25/40/562832540.db2.gz CYNQBOTZAQCFGD-RRHRGVEJSA-N 2 0 644.864 7.585 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC[NH+]2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146960949 562838960 /nfs/dbraw/zinc/83/89/60/562838960.db2.gz DHBXLDIUCMEPHT-PYOQLBSMSA-N 2 0 575.556 5.485 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000150351836 562843263 /nfs/dbraw/zinc/84/32/63/562843263.db2.gz CVSHABYVKZAERD-BNMQLMAQSA-N 2 0 678.918 8.086 1 0 KKAFRP Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2Cl)CC1 ZINC000150540834 562844195 /nfs/dbraw/zinc/84/41/95/562844195.db2.gz YDSPZKYEUWKLNB-JZTDQRQXSA-N 2 0 660.284 6.514 1 0 KKAFRP CCCC[NH+](CCCC)C[C@@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)C[NH+](CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559783 562844843 /nfs/dbraw/zinc/84/48/43/562844843.db2.gz XILSMSISXMCKEO-LOYHVIPDSA-N 2 0 914.497 10.346 1 0 KKAFRP CC1(C)O[C@H]2O[C@@H](C[NH2+]CCCCCCC[NH2+]C[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000150609002 562848217 /nfs/dbraw/zinc/84/82/17/562848217.db2.gz GWOKPLIRIZBPPP-KMUSDNSSSA-N 2 0 654.845 5.040 1 0 KKAFRP CCCC[C@@H]1CN([C@@H](CC2CCCCC2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169268 562849253 /nfs/dbraw/zinc/84/92/53/562849253.db2.gz IZCZXQSGSYYKSO-NBRFXYHLSA-N 3 0 761.944 8.423 1 0 KKAFRP CN(CCCCC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163423970 562849377 /nfs/dbraw/zinc/84/93/77/562849377.db2.gz AKYUMGLGSXQSCR-FAIXQHPJSA-N 2 0 788.946 6.394 1 0 KKAFRP Cc1cc(NC(=O)CCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000164181920 562849574 /nfs/dbraw/zinc/84/95/74/562849574.db2.gz JVAHJOWFOOWVCB-RWYGWLOXSA-N 2 0 802.973 6.621 1 0 KKAFRP NC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000168101629 562851242 /nfs/dbraw/zinc/85/12/42/562851242.db2.gz XGJNHZLILDNPLT-YKLWYRCFSA-N 2 0 543.499 5.284 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307062 562853726 /nfs/dbraw/zinc/85/37/26/562853726.db2.gz SLTCXVQIICRRLH-DHUJRADRSA-N 2 0 587.768 6.215 1 0 KKAFRP CCCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321368 562856651 /nfs/dbraw/zinc/85/66/51/562856651.db2.gz PFKHPVGEFNIPDS-JIMJEQGWSA-N 3 0 543.841 6.431 1 0 KKAFRP Cc1ccc(-c2ccc(O)c(Cl)c2)c(NC(=O)OC2CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c1 ZINC000169323313 562856989 /nfs/dbraw/zinc/85/69/89/562856989.db2.gz QUPPZULLRXQLGP-BHVANESWSA-N 2 0 731.356 7.165 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000169323324 562857036 /nfs/dbraw/zinc/85/70/36/562857036.db2.gz LVPZMNAGJCNTKS-QNGWXLTQSA-N 2 0 745.383 7.637 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)C34CCC(C(=O)Nc5ccc(C(=O)Nc6ccc[n+](CC)c6)cc5)(CC3)CC4)cc2)c1 ZINC000169329264 562858500 /nfs/dbraw/zinc/85/85/00/562858500.db2.gz WGPZGHFRUGRZBS-UHFFFAOYSA-P 2 0 646.792 5.724 1 0 KKAFRP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3CCCCCCC[C@@H]1[NH2+]CCc2c3cc(OC)ccc3[nH]c21 ZINC000169330140 562858664 /nfs/dbraw/zinc/85/86/64/562858664.db2.gz XPELMGCVJSRMRA-VMPREFPWSA-N 2 0 500.687 6.471 1 0 KKAFRP NC(=[NH2+])c1ccc(OCc2c(Cl)c(Cl)c(Cl)c(COc3ccc(C(N)=[NH2+])cc3)c2Cl)cc1 ZINC000169330781 562858766 /nfs/dbraw/zinc/85/87/66/562858766.db2.gz KURXEDCRJRAFCL-UHFFFAOYSA-N 2 0 512.224 6.026 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCCCCC[NH+]3CCC(O)(Cc4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342804 562861093 /nfs/dbraw/zinc/86/10/93/562861093.db2.gz MQRDMBHMFXHDQV-MGBGTMOVSA-N 2 0 572.790 6.142 1 0 KKAFRP COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCCCCCC[NH+]3CCC(c4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342812 562861118 /nfs/dbraw/zinc/86/11/18/562861118.db2.gz ZZODKRWBFJJHGV-MGBGTMOVSA-N 2 0 542.764 6.952 1 0 KKAFRP CC[NH+]1CCN(CC[N@@H+]2CCC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356859 562863873 /nfs/dbraw/zinc/86/38/73/562863873.db2.gz KBKMCQSBCNCPIL-AOQDKHGRSA-N 3 0 500.775 5.284 1 0 KKAFRP C[C@H]([NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 ZINC000169685071 562865034 /nfs/dbraw/zinc/86/50/34/562865034.db2.gz HLFSCDINWNKPBL-BMWXWXOGSA-N 2 0 802.973 5.895 1 0 KKAFRP COc1cc(NC(=O)CCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000169694705 562865633 /nfs/dbraw/zinc/86/56/33/562865633.db2.gz BORASJFEKISWCW-KDXMTYKHSA-N 2 0 804.945 6.013 1 0 KKAFRP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716359 562871275 /nfs/dbraw/zinc/87/12/75/562871275.db2.gz XTXRFZVMWNLBLL-PPMUGQOBSA-N 2 0 698.945 7.230 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299831061 562885454 /nfs/dbraw/zinc/88/54/54/562885454.db2.gz IUFKKNRHNJARAQ-ZRTHHSRSSA-N 2 0 707.834 12.727 1 0 KKAFRP COc1ccc(CC[NH2+]C[C@@H](O)CN2CN(c3ccccc3)C3(CC[NH+](CCc4ccccc4-c4cccs4)CC3)C2=O)cc1OC ZINC000299859865 562892808 /nfs/dbraw/zinc/89/28/08/562892808.db2.gz GAVAKABTULYXGB-JGCGQSQUSA-N 2 0 654.877 5.309 1 0 KKAFRP O=c1cc(-c2ccccc2)c2ccc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299860367 562892891 /nfs/dbraw/zinc/89/28/91/562892891.db2.gz JEVDJCMWVBWXEC-UHFFFAOYSA-N 2 0 588.752 6.386 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(-c3cccc(-c4ccc(Cn5ccc(=[NH2+])c6ccccc65)cc4)n3)cc2)c2ccccc12 ZINC000377553957 562895915 /nfs/dbraw/zinc/89/59/15/562895915.db2.gz WFVSMSPEUHDGKK-UHFFFAOYSA-N 2 0 543.674 7.381 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)-c3ccc(cc3)C[NH+]=C3C=CN(CCCCCCCCCCN2C=C1)c1ccccc13 ZINC000377825237 562896152 /nfs/dbraw/zinc/89/61/52/562896152.db2.gz GMLCNHDPJLCOHX-UHFFFAOYSA-N 2 0 604.842 10.134 1 0 KKAFRP Clc1ccc2c(c1)N1C=CC2=[NH+]Cc2ccc(cc2)C[NH+]=C2C=CN(Cc3cccc(c3)C1)c1cc(Cl)ccc12 ZINC000377848803 562896384 /nfs/dbraw/zinc/89/63/84/562896384.db2.gz QWSKRKQKJOPYHW-UHFFFAOYSA-N 2 0 561.516 8.353 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1 ZINC000377848840 562896408 /nfs/dbraw/zinc/89/64/08/562896408.db2.gz FTVMFHSIQSSASU-CNHKJKLMSA-O 2 0 583.716 6.696 1 0 KKAFRP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](CCC)cc5)cc4)cc3)cc2)cc1 ZINC000377848862 562896427 /nfs/dbraw/zinc/89/64/27/562896427.db2.gz ZVPJKPXFDJOFRL-UHFFFAOYSA-O 2 0 585.732 7.076 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1 ZINC000377848861 562896439 /nfs/dbraw/zinc/89/64/39/562896439.db2.gz VVZFPHQAKLSFJM-LQGKIZFRSA-O 2 0 609.754 7.095 1 0 KKAFRP Nc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(N)cc13 ZINC000377853461 562896513 /nfs/dbraw/zinc/89/65/13/562896513.db2.gz NMRKUXYHNBZEIV-UHFFFAOYSA-N 2 0 522.656 6.211 1 0 KKAFRP COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(N[C@H]4CC[C@H](C[NH+](C)C)CC4)c3c2)cc(Cl)c1O ZINC000473152151 562901757 /nfs/dbraw/zinc/90/17/57/562901757.db2.gz WNKUFDKZDNWOCP-XGAFWQRZSA-N 2 0 510.078 6.062 1 0 KKAFRP NC(=[NH2+])c1ccc2[nH]c(-c3ccc(OCc4cccc(COc5ccc(-c6nc7cc(C(N)=[NH2+])ccc7[nH]6)cc5)c4)cc3)nc2c1 ZINC000473155014 562902340 /nfs/dbraw/zinc/90/23/40/562902340.db2.gz NZVOQDJTJXHMLN-UHFFFAOYSA-N 2 0 606.690 6.499 1 0 KKAFRP COc1cccc2cc(C[NH+](CCCCCCCNc3c4ccccc4[nH+]c4c3CCCCC4)Cc3cc4cccc(OC)c4o3)oc21 ZINC000653776581 562911935 /nfs/dbraw/zinc/91/19/35/562911935.db2.gz WAYXSSGTGMIORU-UHFFFAOYSA-N 2 0 645.844 9.500 1 0 KKAFRP Cc1c(C[NH+]2CCN(c3ccccc3)CC2)c(C[NH+]2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000653846225 562915194 /nfs/dbraw/zinc/91/51/94/562915194.db2.gz LRRYQRCXCBURMZ-UHFFFAOYSA-N 2 0 554.182 6.392 1 0 KKAFRP C[C@@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@@H](C)CC4)c2C1 ZINC000653907643 562917650 /nfs/dbraw/zinc/91/76/50/562917650.db2.gz WFTOWPHCMOXYKS-SZPZYZBQSA-N 2 0 575.628 8.268 1 0 KKAFRP C[NH2+]CCOc1cc(O[C@]23CCCC[C@H]2CC[C@@H](C)[NH2+]3)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@@H]2O ZINC000085567448 565142236 /nfs/dbraw/zinc/14/22/36/565142236.db2.gz YQVROSZBZSFQIM-GULAYAOMSA-N 2 0 687.834 5.436 1 0 biogenic,in-vitro KKAFRP CCOC(=O)c1cc2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028014412 581095579 /nfs/dbraw/zinc/09/55/79/581095579.db2.gz GZQUAMYUGNEUFF-UHFFFAOYSA-N 2 0 511.626 5.144 1 0 KKAFRP CC[n+]1cccc2cc(NC(=O)c3ccc(NC(=O)c4ccc(C(=O)Nc5ccc6c(ccc[n+]6CC)c5)cc4)cc3)ccc21 ZINC000001667884 561679337 /nfs/dbraw/zinc/67/93/37/561679337.db2.gz DZQABRVMIPPVKJ-UHFFFAOYSA-P 2 0 595.703 6.365 1 0 KKAFRP COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)ccc3OC)cc1)[NH+](C)CC2 ZINC000005438294 561695953 /nfs/dbraw/zinc/69/59/53/561695953.db2.gz MEETXPGMOAAZPG-AJQTZOPKSA-N 2 0 624.778 6.762 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000005741899 561698011 /nfs/dbraw/zinc/69/80/11/561698011.db2.gz AMSNINGPDSUBHZ-WJHDLLBFSA-N 2 0 564.774 6.561 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 ZINC000006717690 561703095 /nfs/dbraw/zinc/70/30/95/561703095.db2.gz XIMFQVXENHJKEO-OQKWZONESA-N 2 0 517.717 6.290 1 0 KKAFRP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)ccc1-2 ZINC000013557230 561718925 /nfs/dbraw/zinc/71/89/25/561718925.db2.gz WLRLTOOAYKMFCQ-SZPZYZBQSA-N 2 0 516.686 5.304 1 0 KKAFRP CC(C)[NH+](CCOc1ccc(C(c2ccc(OCC[NH+](C(C)C)C(C)C)cc2)=C2CCCCC2)cc1)C(C)C ZINC000013605651 561721744 /nfs/dbraw/zinc/72/17/44/561721744.db2.gz ONXPHFDXGCTIKL-UHFFFAOYSA-N 2 0 534.829 8.448 1 0 KKAFRP CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)C)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000013643630 561722387 /nfs/dbraw/zinc/72/23/87/561722387.db2.gz GSJXDXJLPHJETN-UHFFFAOYSA-N 2 0 524.712 6.464 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[NH+]3CCCCC3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780298 561729024 /nfs/dbraw/zinc/72/90/24/561729024.db2.gz XYZHLFVUPCKXRB-QHCPKHFHSA-N 2 0 511.110 5.913 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@@H]3CCC[NH2+]C3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780310 561729070 /nfs/dbraw/zinc/72/90/70/561729070.db2.gz ZJNOPNNJFLEQBQ-GOTSBHOMSA-N 2 0 511.110 5.817 1 0 KKAFRP CC(C)[NH+](CCOc1ccc(-c2oc3nccc(NCCN4CC[NH2+]CC4)c3c2-c2ccccc2)cc1)C(C)C ZINC000023359516 561762188 /nfs/dbraw/zinc/76/21/88/561762188.db2.gz KNNAWFQMISAWMQ-UHFFFAOYSA-N 2 0 541.740 5.977 1 0 KKAFRP CC[NH+](CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CC[NH3+])c(=O)nc1SCc1ccc(F)cc1 ZINC000026013100 561765991 /nfs/dbraw/zinc/76/59/91/561765991.db2.gz LXBKJRLFVHOULJ-UHFFFAOYSA-N 2 0 669.789 6.232 1 0 KKAFRP FC(F)(F)c1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026507734 561796838 /nfs/dbraw/zinc/79/68/38/561796838.db2.gz HLIPZCGSNLOFMQ-UHFFFAOYSA-N 2 0 594.743 8.127 1 0 KKAFRP Brc1cc(OCC[NH+]2CCCC2)ccc1Cc1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000026572696 561798477 /nfs/dbraw/zinc/79/84/77/561798477.db2.gz IKCZOVXADIQOHA-UHFFFAOYSA-N 2 0 605.642 7.871 1 0 KKAFRP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C\Cn2c3ccccc3nc2-c2ccc(OCCC[NH+](CC)CC)cc2)cc1 ZINC000026572655 561798483 /nfs/dbraw/zinc/79/84/83/561798483.db2.gz VZCQCONTEBWWMW-YPKPFQOOSA-N 2 0 698.956 9.198 1 0 KKAFRP C[NH+](C)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000026574845 561798941 /nfs/dbraw/zinc/79/89/41/561798941.db2.gz QSZLXCAZDSBUTB-MDZDMXLPSA-N 2 0 642.848 7.637 1 0 KKAFRP Cc1cc(NCc2ccccc2)c2cc(NC(=O)C(=O)Nc3ccc4[nH+]c(C)cc(NCc5ccccc5)c4c3)ccc2[nH+]1 ZINC000026576640 561800430 /nfs/dbraw/zinc/80/04/30/561800430.db2.gz LFYDSEFIVPLPLB-UHFFFAOYSA-N 2 0 580.692 7.201 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(Cc4ccccc4)Cc4ccccc4)C3)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026739789 561817922 /nfs/dbraw/zinc/81/79/22/561817922.db2.gz RISRWZCCASMJER-AWSIMMLFSA-N 2 0 718.986 8.569 1 0 KKAFRP CC[C@H](C[NH+]1CCCC1)Oc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027194450 561844121 /nfs/dbraw/zinc/84/41/21/561844121.db2.gz CWZYASBSRAWCRE-GDLZYMKVSA-N 2 0 554.800 7.887 1 0 KKAFRP O[C@@H](C[NH2+]CCCCCC[NH2+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000027089613 561837043 /nfs/dbraw/zinc/83/70/43/561837043.db2.gz BURGJUYFBCVNFV-BZKUTMRRSA-N 2 0 594.718 7.548 1 0 KKAFRP CC1CCC([NH2+]CC(=O)Nc2nc3cc4nc(NC(=O)C[NH2+]C5CCC(C)CC5)sc4cc3s2)CC1 ZINC000027181400 561841892 /nfs/dbraw/zinc/84/18/92/561841892.db2.gz PRMUWGZJVDLAMJ-UHFFFAOYSA-N 2 0 528.748 5.120 1 0 KKAFRP C[N@H+](Cc1c(-c2ccc(NC(=O)CCC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027189577 561843317 /nfs/dbraw/zinc/84/33/17/561843317.db2.gz JVBJPLUJGOISDF-UHFFFAOYSA-N 2 0 679.793 6.517 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(C4CCCCC4)CC3)c2)C1C(=O)OC ZINC000027215936 561848428 /nfs/dbraw/zinc/84/84/28/561848428.db2.gz GILJZYMGAGSBQJ-SLPYKNDMSA-N 2 0 566.743 5.912 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCC(c4ccccc4)CC3)c2)C1C(=O)OC ZINC000027298694 561848658 /nfs/dbraw/zinc/84/86/58/561848658.db2.gz PJRQMRHTTDMHGX-SKDBZILTSA-N 2 0 574.722 5.889 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421272 561857683 /nfs/dbraw/zinc/85/76/83/561857683.db2.gz IMWCKHQQVPILQC-NJLSNJMASA-N 2 0 679.906 6.213 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421200 561857708 /nfs/dbraw/zinc/85/77/08/561857708.db2.gz XWGIRFFCAHGQSB-FBQARNPHSA-N 2 0 682.262 5.006 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421205 561857721 /nfs/dbraw/zinc/85/77/21/561857721.db2.gz XWGIRFFCAHGQSB-CPBPYYNTSA-N 2 0 682.262 5.006 1 0 KKAFRP COc1ccccc1[C@H]([C@H]1CCCCN1C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027440525 561860743 /nfs/dbraw/zinc/86/07/43/561860743.db2.gz RLHGGWYQVKICLX-GRKNLSHJSA-N 2 0 625.698 7.348 1 0 KKAFRP C[n+]1cccc(Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5ccc[n+](C)c5)cc4)cc3)cc2)c1 ZINC000027523406 561865001 /nfs/dbraw/zinc/86/50/01/561865001.db2.gz STRDSRZSHYFGGK-UHFFFAOYSA-P 2 0 530.632 5.327 1 0 KKAFRP C[NH2+]CCCCCC[N@H+](C)Cc1cccc(C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1 ZINC000027551795 561868150 /nfs/dbraw/zinc/86/81/50/561868150.db2.gz VDSSOFQYDAIUHS-UHFFFAOYSA-N 2 0 607.844 5.210 1 0 KKAFRP O=C(CCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH+](CC1CC1)CC3 ZINC000027561568 561870741 /nfs/dbraw/zinc/87/07/41/561870741.db2.gz DIXHMXZSDRJNLS-UBCRSLPBSA-N 2 0 676.942 7.915 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC000027638586 561874960 /nfs/dbraw/zinc/87/49/60/561874960.db2.gz HINGSMRTJKPWEE-UHFFFAOYSA-N 2 0 502.106 5.641 1 0 KKAFRP [NH3+]CCCC[NH+](Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000027658063 561878421 /nfs/dbraw/zinc/87/84/21/561878421.db2.gz LKOILKBKFOOUNA-UHFFFAOYSA-N 2 0 692.900 9.744 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000027728846 561881120 /nfs/dbraw/zinc/88/11/20/561881120.db2.gz HOUHJGCHSMWLCM-UHFFFAOYSA-N 2 0 540.773 7.498 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Sc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000027729420 561881136 /nfs/dbraw/zinc/88/11/36/561881136.db2.gz UGNUKWBODJRGAO-UHFFFAOYSA-N 2 0 544.786 7.669 1 0 KKAFRP OCCC[NH2+]CCN(Cc1ccccc1)Cc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000027763434 561884328 /nfs/dbraw/zinc/88/43/28/561884328.db2.gz CETIZPGSFYPISD-UHFFFAOYSA-N 2 0 508.710 5.258 1 0 KKAFRP Oc1ccc2sc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(Cc3ccc(O[C@@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c2c1 ZINC000027858077 561886722 /nfs/dbraw/zinc/88/67/22/561886722.db2.gz IGYSVEXPLKWCJL-LQFQNGICSA-N 2 0 610.864 8.515 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000027861175 561887117 /nfs/dbraw/zinc/88/71/17/561887117.db2.gz YKRAKTCUKPRIIE-VSJLXWSYSA-N 2 0 612.836 7.362 1 0 KKAFRP CC[NH+](CC)[C@@H]1CCCC[C@H]1Oc1ccc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027874675 561888570 /nfs/dbraw/zinc/88/85/70/561888570.db2.gz KPFVUHZHAXFIME-VSJLXWSYSA-N 2 0 598.853 8.371 1 0 KKAFRP COc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)c(OC)c1 ZINC000028225905 561908094 /nfs/dbraw/zinc/90/80/94/561908094.db2.gz ZZKGZLSWAXKNTO-UHFFFAOYSA-N 2 0 556.772 7.247 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028455594 561923636 /nfs/dbraw/zinc/92/36/36/561923636.db2.gz AWOAPOKTAFLQRU-YTTGMZPUSA-N 2 0 678.617 5.739 1 0 KKAFRP COc1ccc2cc3[n+](cc2c1OCCCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028475129 561927762 /nfs/dbraw/zinc/92/77/62/561927762.db2.gz SJALLAIALHPUMH-UHFFFAOYSA-N 2 0 698.772 6.727 1 0 in-vivo KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028476147 561928111 /nfs/dbraw/zinc/92/81/11/561928111.db2.gz SLGLZEJKMBCODK-XIFFEERXSA-N 2 0 546.775 5.695 1 0 in-vivo KKAFRP COc1ccc2cc3[n+](cc2c1OCCCCCCOc1c(OC)ccc2cc4[n+](cc21)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028520232 561928823 /nfs/dbraw/zinc/92/88/23/561928823.db2.gz UVMCCXDDESVGMM-UHFFFAOYSA-N 2 0 726.826 7.507 1 0 KKAFRP CC(=O)OCCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CCOC(C)=O)c2C)c1C ZINC000028520843 561929078 /nfs/dbraw/zinc/92/90/78/561929078.db2.gz BATLNJILVYPJHO-UHFFFAOYSA-N 2 0 538.820 5.814 1 0 KKAFRP CC(C)C[C@H](C[NH2+]CCCCCC[NH2+]C[C@@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523667 561930287 /nfs/dbraw/zinc/93/02/87/561930287.db2.gz RXFUTRCCDZKXFK-VSGBNLITSA-N 2 0 602.820 5.643 1 0 KKAFRP Cc1cccc(-c2ccccc2)c1CCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646360 561945097 /nfs/dbraw/zinc/94/50/97/561945097.db2.gz JBXYADWMJLOTTL-PGUFJCEWSA-N 2 0 542.787 6.119 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646379 561945151 /nfs/dbraw/zinc/94/51/51/561945151.db2.gz VDJPVMKXBQABSL-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(OC(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646424 561945286 /nfs/dbraw/zinc/94/52/86/561945286.db2.gz VYSCESBFRQRQCI-UMSFTDKQSA-N 2 0 612.756 6.709 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(C(C)(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646403 561945316 /nfs/dbraw/zinc/94/53/16/561945316.db2.gz YJFGVOGMLJKANE-QNGWXLTQSA-N 2 0 584.868 7.108 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](C[NH+]2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645970 561944724 /nfs/dbraw/zinc/94/47/24/561944724.db2.gz DHUKBDYVZDFTNL-UUWRZZSWSA-N 2 0 545.762 7.086 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646192 561944736 /nfs/dbraw/zinc/94/47/36/561944736.db2.gz NJQRVTFMTFWWTH-HKBQPEDESA-N 2 0 505.150 5.422 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCC[NH2+]Cc3ccccc3OC)cc2)cc1 ZINC000028713741 561954145 /nfs/dbraw/zinc/95/41/45/561954145.db2.gz UVMQEFCIUMIZFC-UHFFFAOYSA-N 2 0 664.891 7.872 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCC[NH+]3CCN(CC[N@H+]1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)C1CC1 ZINC000028714055 561954611 /nfs/dbraw/zinc/95/46/11/561954611.db2.gz XPPYJULWDBEONT-CQLQFIPLSA-N 2 0 621.870 5.087 1 0 KKAFRP C[NH+](CCCCCC[N@@H+](C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028820425 561966051 /nfs/dbraw/zinc/96/60/51/561966051.db2.gz XZTMAHIQTUWUBD-UHFFFAOYSA-N 2 0 618.778 6.089 1 0 KKAFRP CN(CCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028824857 561970212 /nfs/dbraw/zinc/97/02/12/561970212.db2.gz QVXCZTNUVKNCGU-PGUFJCEWSA-N 2 0 573.785 7.273 1 0 in-vivo KKAFRP c1ccc2c[n+](CCCCCc3cc(CCCCC[n+]4ccc5ccccc5c4)cc(CCCCC[n+]4ccc5ccccc5c4)c3)ccc2c1 ZINC000028861885 561971886 /nfs/dbraw/zinc/97/18/86/561971886.db2.gz TYGGQOXANGOHKM-UHFFFAOYSA-N 3 0 672.981 10.248 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@H]4CCCC[NH+]4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 561972732 /nfs/dbraw/zinc/97/27/32/561972732.db2.gz ISNGXRPSKCDGJO-GDLZYMKVSA-N 2 0 598.738 5.566 1 0 KKAFRP Cc1c2ccccc2sc1C[NH+]1CCc2c(c(=O)n(CC[N@@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2C(F)(F)F)C1 ZINC000028864164 561972750 /nfs/dbraw/zinc/97/27/50/561972750.db2.gz IUUWULWFDTYCPB-UHFFFAOYSA-N 2 0 665.757 5.867 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCc2cccc(OCCOCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873155 561974661 /nfs/dbraw/zinc/97/46/61/561974661.db2.gz SUSCQNVRTVBUTE-UHFFFAOYSA-N 2 0 694.917 5.908 1 0 KKAFRP COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC[N@H+](C)Cc4ccccc4)c3=O)CC2)C(C)C)c1 ZINC000028874809 561975265 /nfs/dbraw/zinc/97/52/65/561975265.db2.gz XVXQCAYRXMTFHP-UMSFTDKQSA-N 2 0 584.805 6.383 1 0 KKAFRP C[NH+](C)[C@H]1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[NH2+]C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)C1 ZINC000028889776 561978150 /nfs/dbraw/zinc/97/81/50/561978150.db2.gz MUFWPNXNQNHXOU-XAJLNHFYSA-N 2 0 549.090 5.964 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4OC(F)(F)F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953967 561982761 /nfs/dbraw/zinc/98/27/61/561982761.db2.gz OYPQZIWOGTZHSR-WDYNHAJCSA-N 2 0 621.188 6.299 1 0 KKAFRP COc1ccc(C[N@H+](C)CC2(N3CCN(C(=O)[C@H]4C[NH+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028954013 561982977 /nfs/dbraw/zinc/98/29/77/561982977.db2.gz VADTZUSEJIPJOH-ZWXJPIIXSA-N 2 0 581.245 5.752 1 0 KKAFRP CC(C)C[NH+](Cc1ccccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)CC(C)C ZINC000028959709 561983973 /nfs/dbraw/zinc/98/39/73/561983973.db2.gz HDDGSGDDNMFTPV-IOWSJCHKSA-N 2 0 553.235 6.227 1 0 KKAFRP [NH2+]=C(NC1CCCCCC1)c1ccc(N2CCN(c3ccc(C(=[NH2+])NC4CCCCCC4)cc3)CC2)cc1 ZINC000028972428 561985998 /nfs/dbraw/zinc/98/59/98/561985998.db2.gz QCOHJGAAZRKKHV-UHFFFAOYSA-N 2 0 514.762 6.289 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953978 561982734 /nfs/dbraw/zinc/98/27/34/561982734.db2.gz DSVKUAQZLWIFGS-IHLOFXLRSA-N 2 0 571.637 6.054 1 0 KKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055766 561994974 /nfs/dbraw/zinc/99/49/74/561994974.db2.gz XFXBGPOUAKCCMC-LQFQNGICSA-N 2 0 548.856 8.406 1 0 in-vivo KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000029040979 561990900 /nfs/dbraw/zinc/99/09/00/561990900.db2.gz DIRBFKOANBIWMV-NMVJMZGASA-N 2 0 523.043 5.199 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@H]4[C@@]4(C[C@H]7C=CCCCC[NH+]7[C@@H]45)C6)c3[nH]c21 ZINC000029042148 561991334 /nfs/dbraw/zinc/99/13/34/561991334.db2.gz AMSNINGPDSUBHZ-GLVHYVLVSA-N 2 0 564.774 6.561 1 0 KKAFRP CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCC[NH2+]CCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000029052477 561994585 /nfs/dbraw/zinc/99/45/85/561994585.db2.gz GXOFIMVJGVZIDZ-UHFFFAOYSA-N 3 0 600.852 5.354 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2cccc(Cl)c2)CC1 ZINC000029130591 562002745 /nfs/dbraw/zinc/00/27/45/562002745.db2.gz PPTOSGVZGIFRJG-QXIHQKPUSA-N 2 0 600.223 5.017 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@H](C(C)C)[NH+](C)C)c1 ZINC000029131148 562002899 /nfs/dbraw/zinc/00/28/99/562002899.db2.gz ILOXRJFEOIRZEM-WTGSTYHVSA-N 2 0 567.218 5.450 1 0 KKAFRP Clc1ccc(C(c2ccc(C[NH+]3CCCC3)cc2)(c2ccc(C[NH+]3CCCC3)cc2)n2ccnc2)cc1 ZINC000029134939 562004297 /nfs/dbraw/zinc/00/42/97/562004297.db2.gz BFHIFDHTWLJYNR-UHFFFAOYSA-N 2 0 511.113 6.568 1 0 KKAFRP CC(C)[NH2+]C[C@@H](O)COc1ccccc1OCCCCCCCCCCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000029340793 562015263 /nfs/dbraw/zinc/01/52/63/562015263.db2.gz CUZAPGXPHCPHPH-RNPORBBMSA-N 2 0 588.830 5.741 1 0 KKAFRP COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000029404444 562020459 /nfs/dbraw/zinc/02/04/59/562020459.db2.gz HKJZTQIOEKZFJH-LOYHVIPDSA-N 2 0 540.708 5.197 1 0 KKAFRP [NH3+]CCCCCC[NH2+]C[C@@H]1C[N@H+](CCc2c[nH]c3ccccc23)C[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029405306 562020581 /nfs/dbraw/zinc/02/05/81/562020581.db2.gz PAQVLRWXMDPGMP-QPCXHTPLSA-N 3 0 598.832 5.283 1 0 KKAFRP [NH3+]CCCCCC[NH2+]C[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)CN1CCc1c[nH]c2ccccc12 ZINC000029408539 562021193 /nfs/dbraw/zinc/02/11/93/562021193.db2.gz CYQLEMUNTGDXFB-IHUVGRGJSA-N 2 0 584.805 5.035 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029486058 562028345 /nfs/dbraw/zinc/02/83/45/562028345.db2.gz GGHNBTBENUTEQV-UWXQCODUSA-N 2 0 654.940 6.739 1 0 KKAFRP CCCCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546209 562029937 /nfs/dbraw/zinc/02/99/37/562029937.db2.gz IKZKJTZSLURQHH-LOYHVIPDSA-N 2 0 526.810 5.408 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](CCCCCCCCCC[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)C1 ZINC000029550933 562030938 /nfs/dbraw/zinc/03/09/38/562030938.db2.gz VUAPWEZMELHKGR-HNRBIFIRSA-N 2 0 506.820 5.268 1 0 KKAFRP CCCCCCN(C)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C)CCCCCC)C3)cc2)C1 ZINC000029551888 562031173 /nfs/dbraw/zinc/03/11/73/562031173.db2.gz VASSRGYVSNRJNX-MEKGRNQZSA-N 2 0 554.864 6.188 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)CCc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)ccc21 ZINC000031291586 562036010 /nfs/dbraw/zinc/03/60/10/562036010.db2.gz ZQUYQBLJOUWELW-UHFFFAOYSA-P 2 0 532.688 6.212 1 0 KKAFRP CCc1c(CC[NH2+]CCC[C@H](C)CC[NH2+]CCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000034276410 562038689 /nfs/dbraw/zinc/03/86/89/562038689.db2.gz JGEJSVIRIBXRPM-QHCPKHFHSA-N 2 0 514.751 5.617 1 0 KKAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CCCCC1 ZINC000036285285 562053843 /nfs/dbraw/zinc/05/38/43/562053843.db2.gz ZPRSAUKSZDKCHQ-XZWHSSHBSA-N 2 0 565.202 5.495 1 0 KKAFRP CC[NH+](CC)C[C@@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036285178 562053976 /nfs/dbraw/zinc/05/39/76/562053976.db2.gz BGUKCPVRPFHBPX-PNIVXLCQSA-N 2 0 622.298 5.427 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCC[NH2+]CCCNC(=[NH2+])NCCC(c1ccccc1)c1ccccc1)NCCC(c1ccccc1)c1ccccc1 ZINC000037858551 562062160 /nfs/dbraw/zinc/06/21/60/562062160.db2.gz DOJDPTJWDGGRDZ-UHFFFAOYSA-N 4 0 660.955 6.008 1 0 KKAFRP c1ccc2c(c1)nc1c(c2SCCC[NH2+]CCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000040412813 562075466 /nfs/dbraw/zinc/07/54/66/562075466.db2.gz SINYXCPCJRMJOY-UHFFFAOYSA-N 2 0 524.778 7.505 1 0 KKAFRP CC1(C)CC[C@@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]C2CCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040897461 562083170 /nfs/dbraw/zinc/08/31/70/562083170.db2.gz CVJNNFLIBIKNFR-GDLZYMKVSA-N 2 0 500.731 5.472 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[NH2+][C@@H]4C2)CC[N@H+]1C ZINC000042804937 562088964 /nfs/dbraw/zinc/08/89/64/562088964.db2.gz REKCBEFSIKOPTD-VSGBNLITSA-N 2 0 594.708 6.517 1 0 KKAFRP COc1ccc(CC[NH+](C)C)cc1[C@@H]1[C@@H]2[C@@H]([C@@H](c3cc(CC[NH+](C)C)ccc3OC)C[C@@]2(C)O)C1(C)C ZINC000095909698 560059448 /nfs/dbraw/zinc/05/94/48/560059448.db2.gz HWNLAGBDXKGMAH-ATIVZGNNSA-N 2 0 508.747 5.206 1 0 biogenic,in-vitro KKAFRP CC(C)NC(=[NH2+])c1ccc(OCc2ccc3c(cccc3COc3ccc(C(=[NH2+])NC(C)C)cc3)c2)cc1 ZINC000043077311 562645735 /nfs/dbraw/zinc/64/57/35/562645735.db2.gz FWHIGICUXXXIEY-UHFFFAOYSA-N 2 0 508.666 6.645 1 0 KKAFRP Clc1ccc2c(c1)nccc2N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000044146197 562652462 /nfs/dbraw/zinc/65/24/62/562652462.db2.gz WMXDAWQFSVIINV-UHFFFAOYSA-N 3 0 613.980 8.125 1 0 KKAFRP C[NH+]1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1 ZINC000044281224 562653004 /nfs/dbraw/zinc/65/30/04/562653004.db2.gz VFWIKSAVDMFGRU-UHFFFAOYSA-N 2 0 622.781 5.670 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC(C)C)CC(C)C)CC1 ZINC000044358200 562655266 /nfs/dbraw/zinc/65/52/66/562655266.db2.gz GCSCFQKVZJPPIG-IGYGKHONSA-N 2 0 575.669 6.913 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000044418802 562657331 /nfs/dbraw/zinc/65/73/31/562657331.db2.gz SCMBUYRUMCHTRX-DGKNVMSKSA-N 2 0 574.806 6.626 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCCN3CC[NH+](C)CC3)C(=O)CCC3CCCC3)c2)c1 ZINC000045167432 562658000 /nfs/dbraw/zinc/65/80/00/562658000.db2.gz RUTBWYWBYBZNKR-UHFFFAOYSA-N 2 0 532.817 6.036 1 0 KKAFRP O=S(=O)(Nc1cccc(CC[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167582 562658014 /nfs/dbraw/zinc/65/80/14/562658014.db2.gz IKDJAOXFRNRZIU-MUUNZHRXSA-N 2 0 533.738 6.163 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)c2ccc(F)cc2)CC1 ZINC000045190156 562658423 /nfs/dbraw/zinc/65/84/23/562658423.db2.gz MEJKIBRHTNWGNT-JGCGQSQUSA-N 2 0 518.721 5.133 1 0 KKAFRP O=C(CC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000045194388 562658798 /nfs/dbraw/zinc/65/87/98/562658798.db2.gz JOMBAFSPQJBHFZ-UUWRZZSWSA-N 2 0 535.776 6.662 1 0 KKAFRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(c3c[nH]c4ccc(NCC5CCCCC5)cc43)CC2)cc1 ZINC000045194850 562658839 /nfs/dbraw/zinc/65/88/39/562658839.db2.gz CORZZNBXJYYTRT-UHFFFAOYSA-N 2 0 502.747 6.870 1 0 KKAFRP C[C@@H](Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201724 562659046 /nfs/dbraw/zinc/65/90/46/562659046.db2.gz UPJUYKHBVUUAHI-IADCTJSHSA-N 2 0 511.632 5.277 1 0 KKAFRP C[C@H](Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000045201730 562659122 /nfs/dbraw/zinc/65/91/22/562659122.db2.gz UPJUYKHBVUUAHI-RNWIMVQKSA-N 2 0 511.632 5.277 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045209765 562659229 /nfs/dbraw/zinc/65/92/29/562659229.db2.gz KVVPFQGDXRKBEP-KPURRNSFSA-N 2 0 528.524 5.449 1 0 KKAFRP O=C(C=Cc1c(Cl)cccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)CC1 ZINC000045228582 562659544 /nfs/dbraw/zinc/65/95/44/562659544.db2.gz WCSVJXQOTYICON-CMDGGOBGSA-N 2 0 511.497 6.438 1 0 KKAFRP Cc1ncccc1-c1cccc2c(NC(=O)Nc3ccc4[nH+]ccc(N5CC[NH+](C)CC5)c4c3)cccc21 ZINC000045231175 562659703 /nfs/dbraw/zinc/65/97/03/562659703.db2.gz XXKMOOKLEQVXIX-UHFFFAOYSA-N 2 0 502.622 6.154 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302503 562660626 /nfs/dbraw/zinc/66/06/26/562660626.db2.gz NJMRBFHKXPEDSH-UMSFTDKQSA-N 2 0 544.759 5.647 1 0 KKAFRP CCCCC[C@@H]([NH2+]CCCC)c1ccc(OCCOc2ccc([C@@H](CCCCC)[NH2+]CCCC)cc2)cc1 ZINC000045302702 562660691 /nfs/dbraw/zinc/66/06/91/562660691.db2.gz GLYDCQLYYHVEBW-KKLWWLSJSA-N 2 0 524.834 9.167 1 0 KKAFRP COc1cccc(CCc2c(CC[NH2+]CCCCCC[NH2+]CCc3ccccc3)ccc(OC)c2OC)c1 ZINC000045334918 562661325 /nfs/dbraw/zinc/66/13/25/562661325.db2.gz BQHMUJARIUWMLQ-UHFFFAOYSA-N 2 0 518.742 6.022 1 0 KKAFRP [NH3+]CCCCCC(=O)Nc1ccc(OCCCC[NH3+])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000045339691 562661586 /nfs/dbraw/zinc/66/15/86/562661586.db2.gz XDEHZQCVNKNLQT-UHFFFAOYSA-N 2 0 504.631 5.307 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(C(=O)CCC3CCCC3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000048307337 562662990 /nfs/dbraw/zinc/66/29/90/562662990.db2.gz NLWOSPVJAJASQU-UHFFFAOYSA-N 2 0 565.846 8.063 1 0 KKAFRP C[C@@H](Cc1ccc(CNC(=O)NCc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000048307377 562663085 /nfs/dbraw/zinc/66/30/85/562663085.db2.gz BVXHSCNRCHWJCX-NSOVKSMOSA-N 2 0 631.692 7.519 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCOc3ccccc3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000049604903 562665063 /nfs/dbraw/zinc/66/50/63/562665063.db2.gz CYRWZLXVCFSXNB-OIERDQCTSA-N 2 0 595.809 6.467 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3ccc(C[NH2+]CCc4ccccc4)cc3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049605212 562665525 /nfs/dbraw/zinc/66/55/25/562665525.db2.gz BHZCIWBAMXRILF-UHFFFAOYSA-N 2 0 575.801 6.358 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049605689 562666243 /nfs/dbraw/zinc/66/62/43/562666243.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 2 0 698.860 8.733 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](c4ccccc4)C3)cc2)c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000049626097 562667025 /nfs/dbraw/zinc/66/70/25/562667025.db2.gz GRPPRMZAVAEHJT-UMSFTDKQSA-N 2 0 557.782 7.128 1 0 KKAFRP C[C@H](Cc1ccc(OCCCCCCCOc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049639080 562667616 /nfs/dbraw/zinc/66/76/16/562667616.db2.gz RYBURJVANGHZLP-FQYOIHJPSA-N 2 0 707.783 8.910 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049639957 562667827 /nfs/dbraw/zinc/66/78/27/562667827.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 2 0 734.293 8.781 1 0 KKAFRP COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[NH+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)[N@H+](C)CC4)cc1 ZINC000049639918 562667845 /nfs/dbraw/zinc/66/78/45/562667845.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 2 0 742.869 8.382 1 0 KKAFRP CC1CCN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8CCC(C)CC8)ccc7[nH]6)cc5)cc4)nc3c2)CC1 ZINC000049650019 562667930 /nfs/dbraw/zinc/66/79/30/562667930.db2.gz NWTMZKJAMIRLSG-UHFFFAOYSA-N 2 0 650.831 8.680 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049650158 562668017 /nfs/dbraw/zinc/66/80/17/562668017.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 2 0 712.843 8.373 1 0 KKAFRP C[NH+](C)CCN1C(=O)c2cccc3c(NCCCCCC[NH2+]CC=C(c4ccccc4)c4ccccc4)ccc(c32)C1=O ZINC000049694873 562669953 /nfs/dbraw/zinc/66/99/53/562669953.db2.gz VNJKMLQMDHZTJQ-UHFFFAOYSA-N 2 0 574.769 6.691 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCN(CC[NH+](Cc1ccccc1)Cc1ccccc1)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000049694993 562670084 /nfs/dbraw/zinc/67/00/84/562670084.db2.gz QYKNYRVSOKBIMP-UHFFFAOYSA-N 2 0 668.329 9.007 1 0 KKAFRP C[NH+](C)CCN1C(=O)c2cccc3c(N4CC[NH+](CC=C(c5ccccc5)c5ccccc5)CC4)ccc(c32)C1=O ZINC000049695139 562670217 /nfs/dbraw/zinc/67/02/17/562670217.db2.gz UYUDUKVVIMLPSM-UHFFFAOYSA-N 2 0 544.699 5.251 1 0 KKAFRP CCOc1ccccc1CC[NH2+][C@@H](C)Cc1ccc(C(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000049710032 562671540 /nfs/dbraw/zinc/67/15/40/562671540.db2.gz YBYBHEJTYRHGER-NSOVKSMOSA-N 2 0 598.231 7.518 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)CC2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049710560 562671737 /nfs/dbraw/zinc/67/17/37/562671737.db2.gz HTQKTNRSWIAEAD-RNPORBBMSA-N 2 0 685.740 7.118 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711029 562671945 /nfs/dbraw/zinc/67/19/45/562671945.db2.gz NKILNBZJPOZQEA-MNNSJKJDSA-N 2 0 595.628 6.179 1 0 KKAFRP FC(F)(F)COc1c(CC[NH2+]CCCC[NH2+]CCc2ccc3ccccc3c2OCC(F)(F)F)ccc2ccccc21 ZINC000049722876 562672640 /nfs/dbraw/zinc/67/26/40/562672640.db2.gz QVSJMYZEZHDGHF-UHFFFAOYSA-N 2 0 592.624 7.620 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1ccc(-c2ccc(C[NH2+]C3CCCC3)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049744754 562673474 /nfs/dbraw/zinc/67/34/74/562673474.db2.gz LSLJKMMFHVQIIJ-UHFFFAOYSA-N 2 0 578.845 7.895 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2Cc3ccccc3C2)CC1 ZINC000049745486 562673928 /nfs/dbraw/zinc/67/39/28/562673928.db2.gz HIKRMUWNLAXWDE-UHFFFAOYSA-N 2 0 636.862 5.322 1 0 KKAFRP CCCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771668 562678321 /nfs/dbraw/zinc/67/83/21/562678321.db2.gz IUGSRCIKKGHTBK-WESWGPCISA-N 2 0 675.962 8.765 1 0 KKAFRP CC[n+]1ccc(-c2cc[n+](Cc3cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)c3)cc2)cc1 ZINC000049777247 562679805 /nfs/dbraw/zinc/67/98/05/562679805.db2.gz HZVUXOAMOGEYNO-UHFFFAOYSA-N 6 0 672.921 5.617 1 0 KKAFRP S=C(NCCC[NH2+]CCC[NH2+]CCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000049777267 562679861 /nfs/dbraw/zinc/67/98/61/562679861.db2.gz XWRFLUDTACUSOP-UHFFFAOYSA-N 2 0 638.951 5.843 1 0 KKAFRP Fc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777639 562680361 /nfs/dbraw/zinc/68/03/61/562680361.db2.gz ZSBIPLKZQFBMTM-XQGRUXGKSA-N 3 0 673.965 6.189 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)[NH2+]2)CC1 ZINC000049778357 562681231 /nfs/dbraw/zinc/68/12/31/562681231.db2.gz HEILVIDOVAHKRM-CKOYEXALSA-N 2 0 648.267 5.183 1 0 KKAFRP C[NH2+][C@@H](Cc1cc(Br)c(OC)c(Br)c1)C(=O)NCCCOc1c(Br)cc(CC[NH+](C)C)cc1Br ZINC000049850663 562688737 /nfs/dbraw/zinc/68/87/37/562688737.db2.gz JQPKMCKGRRFSFB-NRFANRHFSA-N 2 0 729.146 5.565 1 0 KKAFRP CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[NH+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000049841425 562688353 /nfs/dbraw/zinc/68/83/53/562688353.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 2 0 708.896 8.349 1 0 KKAFRP CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)C[n+]1ccn(c1)Cc1cccc(n1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000049888714 562691416 /nfs/dbraw/zinc/69/14/16/562691416.db2.gz SZKYUTABOZNBOG-UHFFFAOYSA-N 2 0 668.801 6.356 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2ccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000049908047 562693424 /nfs/dbraw/zinc/69/34/24/562693424.db2.gz NXZIJTPSWABLJH-UHFFFAOYSA-N 2 0 566.834 7.608 1 0 KKAFRP C[C@H](Cc1ccc(CN(CC(N)=O)Cc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917814 562693972 /nfs/dbraw/zinc/69/39/72/562693972.db2.gz XFAQNBFQMXDPNG-FQLXRVMXSA-N 2 0 645.719 7.008 1 0 KKAFRP CCc1c(CC[NH2+]CCc2cccc(CC[NH2+]CCc3ccc(OC)c(OC)c3CC)c2)ccc(OC)c1OC ZINC000049917849 562694038 /nfs/dbraw/zinc/69/40/38/562694038.db2.gz KEUQZXXUXBCPNT-UHFFFAOYSA-N 2 0 548.768 5.595 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049918042 562694380 /nfs/dbraw/zinc/69/43/80/562694380.db2.gz GTKAKBGGRSIBLH-UHFFFAOYSA-N 2 0 601.839 6.178 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000049937632 562694994 /nfs/dbraw/zinc/69/49/94/562694994.db2.gz HWYQOUFONYZMHA-LBFZIJHGSA-N 2 0 650.695 5.525 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000049937629 562695003 /nfs/dbraw/zinc/69/50/03/562695003.db2.gz HWYQOUFONYZMHA-SXLOSVNLSA-N 2 0 650.695 5.525 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942251 562695389 /nfs/dbraw/zinc/69/53/89/562695389.db2.gz ZHNVEXZKXNWTHM-GYMSUEAGSA-N 3 0 725.911 7.980 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942265 562695405 /nfs/dbraw/zinc/69/54/05/562695405.db2.gz ZHNVEXZKXNWTHM-SKQHJFOWSA-N 3 0 725.911 7.980 1 0 KKAFRP CN(CCCCC[NH+]1CCCC1)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000049949622 562695711 /nfs/dbraw/zinc/69/57/11/562695711.db2.gz SXLKSZQOUGOJGV-DIPNUNPCSA-N 2 0 599.823 7.807 1 0 in-vivo KKAFRP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])N[C@H](C)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000052800270 562695922 /nfs/dbraw/zinc/69/59/22/562695922.db2.gz OIYDUEJDAGOPOS-FGZHOGPDSA-N 2 0 598.755 7.992 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccc(F)cc2)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000058614622 562701076 /nfs/dbraw/zinc/70/10/76/562701076.db2.gz FHMRUINFYKANKP-DHUJRADRSA-N 2 0 649.877 5.706 1 0 KKAFRP Cc1c(C(=O)NCCCCC[N@H+](C)CCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064511845 562706185 /nfs/dbraw/zinc/70/61/85/562706185.db2.gz ZWEUSOIZQIEIES-UHFFFAOYSA-N 2 0 564.989 6.769 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1ccc(C(c2ccc(NC(=O)C[NH+]3CCCC3)cc2)C2CCCCCC2)cc1 ZINC000066066562 562709444 /nfs/dbraw/zinc/70/94/44/562709444.db2.gz IEKLJYUVBHJITM-UHFFFAOYSA-N 2 0 516.730 5.858 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073944 562709618 /nfs/dbraw/zinc/70/96/18/562709618.db2.gz HGSQOYNWHXVVJS-YTTGMZPUSA-N 2 0 592.788 5.610 1 0 KKAFRP CC(C)C[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066113193 562712180 /nfs/dbraw/zinc/71/21/80/562712180.db2.gz CBLCXALBXLEYGL-WZFJQBBKSA-N 3 0 549.852 5.018 3 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066166202 562714052 /nfs/dbraw/zinc/71/40/52/562714052.db2.gz XRJBVWFHDHOWJP-SKXFTCKDSA-N 3 0 611.923 5.995 3 0 KKAFRP CC(C)(C)c1ccc(NC(=O)CC[NH3+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CC[NH3+])cc2)c1 ZINC000071295363 562717196 /nfs/dbraw/zinc/71/71/96/562717196.db2.gz CSDQDKJULFUQHB-UHFFFAOYSA-N 2 0 514.714 6.190 1 0 KKAFRP Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCC[NH3+])cc3)ccc2[nH+]1 ZINC000071296443 562717492 /nfs/dbraw/zinc/71/74/92/562717492.db2.gz ZHKPGCJXEUAHBK-UHFFFAOYSA-N 3 0 539.724 6.346 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@H+](CCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071296337 562717521 /nfs/dbraw/zinc/71/75/21/562717521.db2.gz BXUKKRHEMKVWOY-XIFFEERXSA-N 2 0 627.273 7.555 1 0 KKAFRP Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCCCC[NH3+])cc3)ccc2[nH+]1 ZINC000071296998 562717680 /nfs/dbraw/zinc/71/76/80/562717680.db2.gz RZYZZBRLERPXRY-UHFFFAOYSA-N 3 0 553.751 6.736 1 0 KKAFRP Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCCC[NH3+])cc3)ccc2[nH+]1 ZINC000071329942 562719035 /nfs/dbraw/zinc/71/90/35/562719035.db2.gz NMRVGZVEYKTXLI-UHFFFAOYSA-N 3 0 525.697 5.956 1 0 KKAFRP S=C(NCCC[NH2+]CCCCCC[NH2+]CCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000072104638 562720560 /nfs/dbraw/zinc/72/05/60/562720560.db2.gz VTZOOSXTGGHSOH-UHFFFAOYSA-N 2 0 709.086 7.099 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116884 562723250 /nfs/dbraw/zinc/72/32/50/562723250.db2.gz VJMBYBQPXIEJEM-UHFFFAOYSA-N 2 0 524.754 5.168 1 0 KKAFRP O=C(CC[NH2+]CCCCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120042 562723973 /nfs/dbraw/zinc/72/39/73/562723973.db2.gz YBIZIAOYICQADS-UHFFFAOYSA-N 2 0 569.709 6.684 1 0 KKAFRP CC(C)(C)c1ccc(NC(=O)CCCCNC(N)=[NH2+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCCCNC(N)=[NH2+])cc2)c1 ZINC000072128763 562726258 /nfs/dbraw/zinc/72/62/58/562726258.db2.gz VTKOGUCIMVIRGB-UHFFFAOYSA-N 2 0 654.904 6.799 1 0 KKAFRP CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)cc2)ccc1O)C(C)C ZINC000072134027 562727180 /nfs/dbraw/zinc/72/71/80/562727180.db2.gz BBKNEJRUSCLTOC-GTZDIBSYSA-N 2 0 668.919 7.498 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072180997 562732613 /nfs/dbraw/zinc/73/26/13/562732613.db2.gz PPGIMRDWVMIQCV-UHFFFAOYSA-N 2 0 714.860 6.380 1 0 KKAFRP CC(C)[NH+]1CCN(c2cc[nH+]c3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc32)CC1 ZINC000073196261 562735066 /nfs/dbraw/zinc/73/50/66/562735066.db2.gz SHLRNAMEMGGTKI-UHFFFAOYSA-N 2 0 540.064 5.421 1 0 KKAFRP O=S(=O)(Nc1cc(-c2ccc3[nH+]ccc(N4CC[NH+](Cc5ccccc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073196610 562735189 /nfs/dbraw/zinc/73/51/89/562735189.db2.gz ANJMEARDENWYPS-UHFFFAOYSA-N 2 0 588.108 6.212 1 0 KKAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084619874 562745345 /nfs/dbraw/zinc/74/53/45/562745345.db2.gz FMIJNFTZRSVGEY-UHFFFAOYSA-N 2 0 678.926 5.404 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084756778 562752266 /nfs/dbraw/zinc/75/22/66/562752266.db2.gz STUKKPRVMQJVHH-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH2+]CC3 ZINC000085977034 562753441 /nfs/dbraw/zinc/75/34/41/562753441.db2.gz MSEKZZNGEVAPPO-NSOVKSMOSA-N 2 0 624.734 6.526 1 0 KKAFRP Ic1cc(C[NH2+]C2CCCCC2)ccc1OCc1cccc(COc2ccc(C[NH2+]C3CCCCC3)cc2I)c1 ZINC000095536982 562754305 /nfs/dbraw/zinc/75/43/05/562754305.db2.gz MXVCGDSDNCNIGF-UHFFFAOYSA-N 2 0 764.530 8.898 1 0 KKAFRP [NH3+]CC[C@@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095542918 562756935 /nfs/dbraw/zinc/75/69/35/562756935.db2.gz SWPAWRHBFNDXEU-AARKOHAPSA-N 2 0 790.743 6.753 1 0 KKAFRP CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)Oc4cccc(CC[NH+]5CCN(c6ccccc6OC)CC5)c4)c4ccccc4C3(C)C)c(=O)oc2c1 ZINC000095544724 562757831 /nfs/dbraw/zinc/75/78/31/562757831.db2.gz VADVHCUUMVARLM-UHFFFAOYSA-N 2 0 796.045 9.268 1 0 KKAFRP COc1cc(C(=O)N2CC[C@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCN4CCOCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545732 562758206 /nfs/dbraw/zinc/75/82/06/562758206.db2.gz ORBDOXUKPRMJQT-RWYGWLOXSA-N 2 0 778.778 6.470 1 0 KKAFRP CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)ccc1OC1CC[NH+](C)CC1 ZINC000095581630 562772288 /nfs/dbraw/zinc/77/22/88/562772288.db2.gz DHJMKEYAEFIEJX-UHFFFAOYSA-N 2 0 573.734 5.808 1 0 KKAFRP C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095604009 562780758 /nfs/dbraw/zinc/78/07/58/562780758.db2.gz WMQQUESCJJDFFW-BXWHCVCYSA-N 2 0 678.837 5.913 1 0 KKAFRP O=C(CCC[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4cccc(NC(=O)CCC[NH+]5CCCC5)c4)c3)c2)c1 ZINC000095614936 562786958 /nfs/dbraw/zinc/78/69/58/562786958.db2.gz ITAYUIUVYDTSTD-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](Cc4cccc(C[NH+]5CCC(c6c[nH]c7ccc(NC(=O)c8ccc(F)cc8)cc76)CC5)c4)CC3)c2c1)c1ccc(F)cc1 ZINC000095614954 562786963 /nfs/dbraw/zinc/78/69/63/562786963.db2.gz FYMYEYOPWYBNKY-UHFFFAOYSA-N 2 0 776.932 10.191 1 0 in-vitro KKAFRP O=C(CCC[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CCC[NH+]5CCCC5)cc4)c3)c2)cc1 ZINC000095615160 562787131 /nfs/dbraw/zinc/78/71/31/562787131.db2.gz MELQUPKZQBLZKT-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC[NH+](C)C)cc2C1=O ZINC000095752181 562788794 /nfs/dbraw/zinc/78/87/94/562788794.db2.gz WMQQUESCJJDFFW-HYHRRZRMSA-N 2 0 678.837 5.913 1 0 KKAFRP CC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284378 562795095 /nfs/dbraw/zinc/79/50/95/562795095.db2.gz DRWIINODRIXUJU-SSEXGKCCSA-N 2 0 537.708 5.622 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCN3CC[NH+](CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285569 562795867 /nfs/dbraw/zinc/79/58/67/562795867.db2.gz PDCBHYYTMYMYBE-UHFFFAOYSA-N 2 0 588.752 6.386 1 0 KKAFRP O=c1cc(-c2ccc(Cl)cc2)oc2cc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285554 562795879 /nfs/dbraw/zinc/79/58/79/562795879.db2.gz KODPQYQIVAWQBN-UHFFFAOYSA-N 2 0 637.224 7.429 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096887214 562796606 /nfs/dbraw/zinc/79/66/06/562796606.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 2 0 780.840 8.719 1 0 KKAFRP COc1cccc(CN2CC[NH+](C[C@@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907752 562799220 /nfs/dbraw/zinc/79/92/20/562799220.db2.gz JIZBSLOZXTWCDC-JXEGDCPISA-N 2 0 838.891 8.357 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCC[NH2+]CCCCCC[NH2+]CCCCC[NH2+]Cc1ccccc1OC ZINC000096908144 562799331 /nfs/dbraw/zinc/79/93/31/562799331.db2.gz RVOLITKRHDUTJL-UHFFFAOYSA-N 4 0 526.810 5.663 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(NC(=O)c3ccc4ccccc4c3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922775 562801902 /nfs/dbraw/zinc/80/19/02/562801902.db2.gz WPDUYPWDFYGTST-UHFFFAOYSA-N 4 0 691.873 6.337 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033934 562806221 /nfs/dbraw/zinc/80/62/21/562806221.db2.gz VTFJWOXHAJNSBJ-UFEOWHGLSA-N 2 0 533.713 6.421 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(O)c4)CC3)c2)C1C(=O)OC ZINC000100043165 562806344 /nfs/dbraw/zinc/80/63/44/562806344.db2.gz GRXSDRJYYRPFLB-SLPYKNDMSA-N 2 0 576.694 5.205 1 0 KKAFRP CCC(=C(c1ccc(OCCC[NH+]2CCCC2)cc1)c1ccc(OCCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000103224726 562817614 /nfs/dbraw/zinc/81/76/14/562817614.db2.gz BSXJLKJQYUBCQT-UHFFFAOYSA-N 2 0 538.776 7.785 1 0 KKAFRP C(=C(c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000103230577 562818172 /nfs/dbraw/zinc/81/81/72/562818172.db2.gz ACFKWUPSKYZQTM-UHFFFAOYSA-N 2 0 538.776 7.785 1 0 KKAFRP COc1ccc(CNC(=O)C[C@@H]2c3ccccc3[NH+]=C(N3CCN(CC[NH+](C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240435 562819468 /nfs/dbraw/zinc/81/94/68/562819468.db2.gz NVUOOHYUOQYRFG-PSXMRANNSA-N 2 0 616.810 5.797 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240388 562819484 /nfs/dbraw/zinc/81/94/84/562819484.db2.gz FKWTWWTVDIYNOD-UMSFTDKQSA-N 2 0 587.772 5.183 1 0 KKAFRP FC(F)(F)c1ccc(C(CCC[NH+]2CCC([NH+]3Cc4ccccc4C3)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817185 562828503 /nfs/dbraw/zinc/82/85/03/562828503.db2.gz LRAIVHXPGSVPRI-UHFFFAOYSA-N 2 0 546.599 8.117 1 0 KKAFRP O=C1CC[N@@H+](CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885449 562831085 /nfs/dbraw/zinc/83/10/85/562831085.db2.gz IGFCCVGOXSJNQX-PSXMRANNSA-N 2 0 558.766 6.369 1 0 KKAFRP C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCC4(CC[NH+](CC5CCOCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140702970 562833309 /nfs/dbraw/zinc/83/33/09/562833309.db2.gz CXKLHZUCDRRWFU-DHLKQENFSA-N 2 0 548.694 5.014 1 0 KKAFRP [NH3+]CCCNc1cc(-c2cc3ccc(C4=[NH+]CCCN4)cc3[nH]2)ccc1-c1cc2ccc(C3=[NH+]CCCN3)cc2o1 ZINC000143830683 562835346 /nfs/dbraw/zinc/83/53/46/562835346.db2.gz SECRLQHZJCTBSU-UHFFFAOYSA-N 3 0 545.691 5.489 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCCc2ccc(N(C)C)cc2)[C@H](CCCCC)C1C(=O)OCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150351786 562843247 /nfs/dbraw/zinc/84/32/47/562843247.db2.gz SFDIEKIMWTVOJP-LOZIZWORSA-N 2 0 706.972 8.367 1 0 KKAFRP O[C@@H](CNCC[NH2+]C[C@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150539976 562844154 /nfs/dbraw/zinc/84/41/54/562844154.db2.gz FHSJCBHOLCFCCC-ACHIHNKUSA-N 2 0 856.288 7.550 1 0 KKAFRP CC1(C)O[C@H]2O[C@H](C[NH2+]CCCCCCC[NH2+]C[C@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000150609007 562848216 /nfs/dbraw/zinc/84/82/16/562848216.db2.gz GWOKPLIRIZBPPP-HOZRDFSCSA-N 2 0 654.845 5.040 1 0 KKAFRP CN(CCCC(=O)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000163642942 562849382 /nfs/dbraw/zinc/84/93/82/562849382.db2.gz CSCDNAKNKBLYJF-KDXMTYKHSA-N 2 0 774.919 6.004 1 0 KKAFRP NC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3cc[nH+]cc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000168101718 562851262 /nfs/dbraw/zinc/85/12/62/562851262.db2.gz XGJNHZLILDNPLT-SZXMBJESSA-N 2 0 543.499 5.284 1 0 KKAFRP CC(=O)O[C@@H]1C[C@@H]2C[C@H]([NH3+])CC[C@]2(C)[C@H]2C[C@H](OC(C)=O)[C@]3(C)[C@@H]([C@H](C)CCC[NH2+]CCNc4ccnc5cc(Cl)ccc54)CC[C@H]3[C@H]12 ZINC000169302311 562853049 /nfs/dbraw/zinc/85/30/49/562853049.db2.gz DYUIJQKGOAOEDP-HFDNLRPQSA-N 2 0 681.362 7.375 1 0 KKAFRP Clc1ccc([C@H]2CC3([NH+]4CCCC4)C[C@H](c4ccc(Cl)cc4)C2[N@H+](CCc2ccccc2)CC3)cc1 ZINC000169302982 562853145 /nfs/dbraw/zinc/85/31/45/562853145.db2.gz OBOMXJSGFCCWHY-NXFCCEIPSA-N 2 0 519.560 7.806 1 0 KKAFRP CN1c2ccc(F)cc2C2(CC[NH+](CC[C@@](C)(C(=O)N[C@H](C(=O)NCC[NH3+])c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)OC1=O ZINC000169325206 562857558 /nfs/dbraw/zinc/85/75/58/562857558.db2.gz FXHOQFIPUVYFTM-RYCFQHDISA-N 2 0 670.613 5.290 1 0 KKAFRP CN(C(=O)[C@H](CCC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000169330665 562858730 /nfs/dbraw/zinc/85/87/30/562858730.db2.gz ZLJIJVTVACSNTN-ZUKKLESISA-N 2 0 698.667 5.719 1 0 KKAFRP COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCCCCC[NH+]3CCC(c4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342813 562861104 /nfs/dbraw/zinc/86/11/04/562861104.db2.gz ZZODKRWBFJJHGV-XIFFEERXSA-N 2 0 542.764 6.952 1 0 KKAFRP COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCCCCC[NH+]3CCN(Cc4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342811 562861115 /nfs/dbraw/zinc/86/11/15/562861115.db2.gz IRDZLYUVTZHASS-XIFFEERXSA-N 2 0 557.779 5.890 1 0 KKAFRP CN1C(=O)OC2(CC[NH+](CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169350429 562862826 /nfs/dbraw/zinc/86/28/26/562862826.db2.gz FNRNSHYJPSMLNY-RRTCDKLQSA-N 2 0 712.694 5.763 1 0 KKAFRP C[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@H](C)CN7)cc6o5)cn4)[nH]c3c2)=[NH+]C1 ZINC000206952486 562876610 /nfs/dbraw/zinc/87/66/10/562876610.db2.gz LZWRRJAKZAOWEN-UHFFFAOYSA-N 2 0 502.622 5.615 1 0 KKAFRP C[C@H]1CN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1n1cc(-c2ccsc2)nn1 ZINC000207149402 562876619 /nfs/dbraw/zinc/87/66/19/562876619.db2.gz QMBLOFSJYILYLC-SYWSQECDSA-N 2 0 590.635 5.158 1 0 KKAFRP O=C(NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2[nH+]c(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299832150 562885762 /nfs/dbraw/zinc/88/57/62/562885762.db2.gz SCHXMKVUYVNKRR-UHFFFAOYSA-N 2 0 680.724 10.176 1 0 KKAFRP CCCC[C@H]1CN(CCCC[C@H]2C[NH+]=C(N)N2CCCCC2CCCCC2)C(=[NH2+])N1CCc1ccc(-c2ccccc2)cc1 ZINC000299859044 562892586 /nfs/dbraw/zinc/89/25/86/562892586.db2.gz HHKMHEZWVRZUHN-ZPGRZCPFSA-N 2 0 598.924 8.137 1 0 KKAFRP COc1cc(NC(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299871576 562895769 /nfs/dbraw/zinc/89/57/69/562895769.db2.gz YRUGHJXUKGKYOZ-BHVANESWSA-N 2 0 719.839 6.495 1 0 KKAFRP CCCn1ccccc1=[NH+]c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([NH+]=c4ccccn4CCC)cc3)cc2)cc1 ZINC000377813738 562896060 /nfs/dbraw/zinc/89/60/60/562896060.db2.gz RMHOAQQNMUXZTC-UHFFFAOYSA-O 2 0 585.732 7.076 1 0 KKAFRP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819973 562896204 /nfs/dbraw/zinc/89/62/04/562896204.db2.gz OTXLIPAOSRLZBT-UHFFFAOYSA-N 2 0 530.676 6.562 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848916 562896478 /nfs/dbraw/zinc/89/64/78/562896478.db2.gz FKJQBAZXCDGLHA-UHFFFAOYSA-N 2 0 517.637 5.364 1 0 KKAFRP c1[nH]c2ccccc2c1C1CC[NH+](Cc2ccc(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)cc2)CC1 ZINC000473084171 562896862 /nfs/dbraw/zinc/89/68/62/562896862.db2.gz QSOKXKRTEDYLFA-UHFFFAOYSA-N 2 0 502.706 7.408 1 0 KKAFRP [NH2+]=C(NC1CCC(O)CC1)c1ccc2cc(-c3ccc(-c4cc5ccc(C(=[NH2+])NC6CCC(O)CC6)cc5[nH]4)cc3)[nH]c2c1 ZINC000473096144 562897876 /nfs/dbraw/zinc/89/78/76/562897876.db2.gz YZSLPMIUWNSDSX-UHFFFAOYSA-N 2 0 588.756 6.420 1 0 KKAFRP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236520 562904682 /nfs/dbraw/zinc/90/46/82/562904682.db2.gz RMSTWPKEPDMVNK-QXGXYANZSA-N 2 0 573.870 6.686 1 0 KKAFRP C[C@H](COC(=O)c1ccc(Oc2nc(Oc3ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc3)nc(Oc3ccc(C(=O)OC[C@@H](C)[NH+](C)C)cc3)n2)cc1)[NH+](C)C ZINC000653747710 562910492 /nfs/dbraw/zinc/91/04/92/562910492.db2.gz WYCXGHBIJHDQCV-ZONZVBGPSA-N 3 0 744.846 5.569 1 0 KKAFRP c1c2ccccc2oc1C[NH+](CCCCCCCNc1c2ccccc2[nH+]c2c1CCCCC2)Cc1cc2ccccc2o1 ZINC000653775535 562911941 /nfs/dbraw/zinc/91/19/41/562911941.db2.gz OSNBHPQSXCZVRH-UHFFFAOYSA-N 2 0 585.792 9.483 1 0 KKAFRP C[C@@H]1CCc2c([nH+]c3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CC[C@H](C)C3)C1 ZINC000653865331 562916201 /nfs/dbraw/zinc/91/62/01/562916201.db2.gz ICGFWVINGGGKCV-SZPZYZBQSA-N 2 0 575.628 8.268 1 0 KKAFRP C[C@H]1CCc2c([nH+]c3cc(Cl)ccc3c2NCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CC[C@H](C)C3)C1 ZINC000653865332 562916212 /nfs/dbraw/zinc/91/62/12/562916212.db2.gz ICGFWVINGGGKCV-VXKWHMMOSA-N 2 0 575.628 8.268 1 0 KKAFRP CCO[C@@H]1CCc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4c3C[C@H](OCC)CC4)c2C1 ZINC000653913886 562917787 /nfs/dbraw/zinc/91/77/87/562917787.db2.gz OQYUUFBXSSRQOH-FQLXRVMXSA-N 2 0 677.761 8.976 1 0 KKAFRP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[NH+](C)CC2 ZINC000042835355 565111271 /nfs/dbraw/zinc/11/12/71/565111271.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 2 0 608.735 6.440 1 0 biogenic,in-vivo KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[N@H+](C)CC5)OCO4)CC[NH+]1C ZINC000085541022 565139016 /nfs/dbraw/zinc/13/90/16/565139016.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 2 0 666.771 6.891 1 0 biogenic,in-vitro KKAFRP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3[NH+](C)CC2 ZINC000095909554 565175458 /nfs/dbraw/zinc/17/54/58/565175458.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 2 0 608.735 6.440 1 0 biogenic,in-vitro KKAFRP O=C(NCCCCCCCCCCNC(=O)Nc1ccc(C2=[NH+]CCCN2)cc1)Nc1ccc(C2=[NH+]CCCN2)cc1 ZINC000004887415 561695550 /nfs/dbraw/zinc/69/55/50/561695550.db2.gz UQNIBYRPYWJNND-UHFFFAOYSA-N 2 0 574.774 5.230 1 0 KKAFRP C[NH+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000005888494 561699922 /nfs/dbraw/zinc/69/99/22/561699922.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 2 0 578.665 6.268 1 0 KKAFRP O=S(=O)(NCC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc21 ZINC000013439463 561712333 /nfs/dbraw/zinc/71/23/33/561712333.db2.gz PPVPMIUFXSUMPV-MHZLTWQESA-N 2 0 526.146 5.021 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(CC[NH+]2CCCC2)cc1 ZINC000013557708 561718958 /nfs/dbraw/zinc/71/89/58/561718958.db2.gz TVGQLEVJDYCDCB-UHFFFAOYSA-N 2 0 510.747 7.272 1 0 KKAFRP C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])C[C@@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2(C)C ZINC000013704680 561725018 /nfs/dbraw/zinc/72/50/18/561725018.db2.gz VQEZQHKNDTXZIP-FJTYTQLDSA-N 3 0 514.802 7.474 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[NH+]3CCCCC3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780299 561729042 /nfs/dbraw/zinc/72/90/42/561729042.db2.gz XYZHLFVUPCKXRB-HSZRJFAPSA-N 2 0 511.110 5.913 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@@H]3CCCC[NH2+]3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780306 561729068 /nfs/dbraw/zinc/72/90/68/561729068.db2.gz MZDQVOUAJWXYFT-ZCYQVOJMSA-N 2 0 525.137 6.350 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC ZINC000013803019 561730936 /nfs/dbraw/zinc/73/09/36/561730936.db2.gz WRYXJERLOLLUKL-UHFFFAOYSA-N 4 0 526.810 5.663 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCC3)cc2)ccc1CCc1ccc(C[n+]2ccc(N3CCCCC3)cc2)cc1 ZINC000013837691 561734328 /nfs/dbraw/zinc/73/43/28/561734328.db2.gz WKYZKQDMHOGQOV-UHFFFAOYSA-N 2 0 532.776 6.124 1 0 KKAFRP CC(=O)N(C[C@@H](C1CCCCC1)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000014191824 561737633 /nfs/dbraw/zinc/73/76/33/561737633.db2.gz HQPISMGZXLHBTG-LXQNXJGFSA-N 2 0 560.774 5.129 1 0 KKAFRP Clc1cc(Cl)c2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947266 561744552 /nfs/dbraw/zinc/74/45/52/561744552.db2.gz YXYXCYQIHJLUHU-UHFFFAOYSA-N 2 0 561.601 9.322 1 0 KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947318 561744790 /nfs/dbraw/zinc/74/47/90/561744790.db2.gz GCPORJYZTJZXFH-LOSJGSFVSA-N 2 0 613.677 10.439 1 0 in-vivo KKAFRP CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@@H+]5C)c4)[nH+]c3c2)ccn1 ZINC000014965246 561749495 /nfs/dbraw/zinc/74/94/95/561749495.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 2 0 540.546 5.345 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000022453554 561759444 /nfs/dbraw/zinc/75/94/44/561759444.db2.gz SLGLZEJKMBCODK-MGBGTMOVSA-N 2 0 546.775 5.695 1 0 in-vivo KKAFRP COc1ccccc1C[NH2+]CCCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026250144 561773905 /nfs/dbraw/zinc/77/39/05/561773905.db2.gz CYSAQAWEGRPUEE-UHFFFAOYSA-N 2 0 612.819 5.849 1 0 KKAFRP NC(=[NH2+])c1ccc([C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026382691 561783618 /nfs/dbraw/zinc/78/36/18/561783618.db2.gz HZVJEKSIKFVOAA-DITALETJSA-N 2 0 643.681 5.861 1 0 KKAFRP CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(C)Cc4ccccc4)C3)cc2)C1 ZINC000026744191 561818525 /nfs/dbraw/zinc/81/85/25/561818525.db2.gz XNZBQOHYFIVFRF-KKLWWLSJSA-N 2 0 566.790 5.428 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H](c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000026746649 561818936 /nfs/dbraw/zinc/81/89/36/561818936.db2.gz VZJXMGYNIYBWAK-SVNRFNMRSA-N 2 0 514.626 5.186 1 0 KKAFRP CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993620 561832789 /nfs/dbraw/zinc/83/27/89/561832789.db2.gz IBLUYABUHMLNBC-JTZWTTIBSA-N 2 0 708.929 5.619 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(CCC[NH+]2CCCC2)cc1 ZINC000027096438 561838083 /nfs/dbraw/zinc/83/80/83/561838083.db2.gz HUEMBXLCPRBAHN-UHFFFAOYSA-N 2 0 538.757 7.302 1 0 KKAFRP CC[C@@H](COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCCC1 ZINC000027197167 561844542 /nfs/dbraw/zinc/84/45/42/561844542.db2.gz SGUDHSPXDRJFAN-LJAQVGFWSA-N 2 0 554.800 7.887 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209544 561846800 /nfs/dbraw/zinc/84/68/00/561846800.db2.gz PNVVVECFORQGCG-YTOFDDCBSA-N 2 0 633.790 5.619 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425209 561858295 /nfs/dbraw/zinc/85/82/95/561858295.db2.gz KJKZOKVFJPDHQM-QULJUXSESA-N 2 0 679.906 6.291 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549312 561867640 /nfs/dbraw/zinc/86/76/40/561867640.db2.gz XQPITIPYGHBCQW-NDEPHWFRSA-N 2 0 553.650 5.174 1 0 KKAFRP Oc1ccc(C[NH+](CCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)Cc2ccc(O)cc2)cc1 ZINC000027627896 561873343 /nfs/dbraw/zinc/87/33/43/561873343.db2.gz JRNVDAGVTHLNLN-UHFFFAOYSA-N 2 0 574.169 5.812 1 0 KKAFRP C[NH+]1CCC(CCCn2c3cccc(OCCC[NH+]4CCCCC4)c3nc2COc2ccccc2)CC1 ZINC000027710953 561879606 /nfs/dbraw/zinc/87/96/06/561879606.db2.gz GRDAYKOZIFYHQG-UHFFFAOYSA-N 2 0 504.719 5.992 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1OCC[NH+]1CCCC1 ZINC000027711227 561879632 /nfs/dbraw/zinc/87/96/32/561879632.db2.gz CBZKGMORGJJBTK-UHFFFAOYSA-N 2 0 540.729 6.749 1 0 KKAFRP O=C(CCC[NH+]1CCC(CCCn2c(COc3ccccc3)nc3c2cccc3OCCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027713493 561879977 /nfs/dbraw/zinc/87/99/77/561879977.db2.gz KTOYNSNMIZMYQQ-UHFFFAOYSA-N 2 0 636.881 8.025 1 0 KKAFRP [NH3+]CCC[NH+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000027717208 561880260 /nfs/dbraw/zinc/88/02/60/561880260.db2.gz PDBMPZLMVGWXIV-UHFFFAOYSA-N 2 0 604.405 8.809 1 0 KKAFRP c1ccc(CCC[NH+]2CCC(CCCn3c(COc4ccccc4)nc4c3cccc4OCCC[NH+]3CCCCC3)CC2)cc1 ZINC000027717679 561880271 /nfs/dbraw/zinc/88/02/71/561880271.db2.gz XAONLPHHBBOMHR-UHFFFAOYSA-N 2 0 608.871 7.995 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)c(O)c1 ZINC000027848017 561885700 /nfs/dbraw/zinc/88/57/00/561885700.db2.gz RATUFDIPQSWIFZ-ZFEZZJPFSA-N 2 0 612.836 7.831 1 0 KKAFRP CC[N@@H+]1CC[C@@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027861004 561887012 /nfs/dbraw/zinc/88/70/12/561887012.db2.gz PVLWRZWADLWWLL-GDLZYMKVSA-N 2 0 526.746 7.107 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCC3)cc2)ccc1CCc1ccc(C[n+]2ccc(N3CCCC3)cc2)cc1 ZINC000027863591 561887419 /nfs/dbraw/zinc/88/74/19/561887419.db2.gz WXLINZANXGBOSP-UHFFFAOYSA-N 2 0 504.722 5.344 1 0 KKAFRP C[NH+](C)[C@@H]1CCCC[C@H]1Oc1ccc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027864206 561887437 /nfs/dbraw/zinc/88/74/37/561887437.db2.gz FUIQKDKFMPLJRL-CZNDPXEESA-N 2 0 570.799 7.591 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OC[C@@H]([NH3+])CO)cc2)ccc1C[NH+]1CCCC1 ZINC000027870103 561888242 /nfs/dbraw/zinc/88/82/42/561888242.db2.gz WUWCCBLBZCVFIK-QHCPKHFHSA-N 2 0 518.679 5.168 1 0 KKAFRP COc1ccc2sc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(Cc3ccc(O[C@@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c2c1 ZINC000027880412 561889089 /nfs/dbraw/zinc/88/90/89/561889089.db2.gz BEHPIGZIUFKTKU-FZNHDDJXSA-N 2 0 624.891 8.818 1 0 KKAFRP CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(N)=[NH2+])n(CCC(C)C)c3)c3ccccc23)cc1C(=O)NCCC(N)=[NH2+] ZINC000027882722 561889167 /nfs/dbraw/zinc/88/91/67/561889167.db2.gz SOLYGWWMHZMTFH-UHFFFAOYSA-N 2 0 710.884 5.151 1 0 KKAFRP Clc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1Cl ZINC000027895905 561890213 /nfs/dbraw/zinc/89/02/13/561890213.db2.gz SGDRDLKBLDVTOF-UHFFFAOYSA-N 4 0 591.756 8.513 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000028221169 561907259 /nfs/dbraw/zinc/90/72/59/561907259.db2.gz TYZCWXYVTGAWDO-UHFFFAOYSA-N 2 0 512.719 6.935 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252336 561911099 /nfs/dbraw/zinc/91/10/99/561911099.db2.gz FXKBWZCJAKRZGY-KAYWLYCHSA-N 2 0 578.761 5.769 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256362 561911506 /nfs/dbraw/zinc/91/15/06/561911506.db2.gz OXAAGBQBYPOTMI-AQOUDTPCSA-N 2 0 676.950 8.499 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000028475170 561927731 /nfs/dbraw/zinc/92/77/31/561927731.db2.gz NKZYHOJVRNZNNP-UHFFFAOYSA-N 2 0 648.854 9.867 1 0 in-vivo KKAFRP c1ccc2c(c1)c(N1CCCCCC1)cc[n+]2Cc1ccc(CCc2ccc(C[n+]3ccc(N4CCCCCC4)c4ccccc43)cc2)cc1 ZINC000028476429 561928255 /nfs/dbraw/zinc/92/82/55/561928255.db2.gz GPDZPHJBANYQKT-UHFFFAOYSA-N 2 0 660.950 9.211 1 0 in-vivo KKAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028521831 561929420 /nfs/dbraw/zinc/92/94/20/561929420.db2.gz ACKJXXOVSOCBPX-UHFFFAOYSA-N 2 0 578.805 6.514 1 0 KKAFRP CC(C)(C)c1ccc([C@@H](C[NH2+]CCc2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523339 561929981 /nfs/dbraw/zinc/92/99/81/561929981.db2.gz LNFQHRMWUHDOMK-GDLZYMKVSA-N 2 0 515.708 6.827 1 0 KKAFRP C[C@]12CC[C@@H](NC(=O)CC[NH+]3CCc4ccccc4C3)C[C@@]1(c1cccc(O)c1)CC[N@H+](CCCc1ccccc1)C2 ZINC000028530721 561934846 /nfs/dbraw/zinc/93/48/46/561934846.db2.gz NNPWUCZEYRNZSA-KUAYXKFLSA-N 2 0 565.802 6.092 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646344 561945084 /nfs/dbraw/zinc/94/50/84/561945084.db2.gz VEHVBAJFWBANGR-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646298 561945132 /nfs/dbraw/zinc/94/51/32/561945132.db2.gz CZGZZLUJVRZYFA-XIFFEERXSA-N 2 0 514.733 5.420 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641761 561943382 /nfs/dbraw/zinc/94/33/82/561943382.db2.gz OPQBNDHJFSLKCI-UHFFFAOYSA-N 2 0 618.778 6.185 1 0 KKAFRP Cc1ccc(-c2ccccc2CCC[NH+]2CCN(C[C@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000028646395 561945370 /nfs/dbraw/zinc/94/53/70/561945370.db2.gz UMURJMSMTSOEKN-PGUFJCEWSA-N 2 0 542.787 6.119 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646157 561944718 /nfs/dbraw/zinc/94/47/18/561944718.db2.gz UESNQFLPADGGQE-XIFFEERXSA-N 2 0 516.749 5.687 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646118 561944743 /nfs/dbraw/zinc/94/47/43/561944743.db2.gz ZPBDIJQSZTYFIY-MGBGTMOVSA-N 2 0 516.749 5.688 1 0 KKAFRP Fc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028646171 561944794 /nfs/dbraw/zinc/94/47/94/561944794.db2.gz GCQHKDQJFHYIED-BHVANESWSA-N 2 0 556.814 6.611 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3c(Br)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646254 561944922 /nfs/dbraw/zinc/94/49/22/561944922.db2.gz ULCBUFYAPVFUKG-MGBGTMOVSA-N 2 0 595.645 6.449 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000028646292 561944957 /nfs/dbraw/zinc/94/49/57/561944957.db2.gz MJMYQNMAQLMPKB-MGBGTMOVSA-N 2 0 560.802 6.085 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3c(O)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646263 561944986 /nfs/dbraw/zinc/94/49/86/561944986.db2.gz XLLUJHDMWQXGMF-YTTGMZPUSA-N 2 0 532.748 5.392 1 0 KKAFRP COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCC[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818157 561965257 /nfs/dbraw/zinc/96/52/57/561965257.db2.gz WLVVWVWAWIFTAL-PMERELPUSA-N 2 0 539.642 5.882 1 0 KKAFRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889973 561978130 /nfs/dbraw/zinc/97/81/30/561978130.db2.gz ZEVOVEIYFPOJLM-YGZVCBRSSA-N 2 0 563.117 6.402 1 0 KKAFRP CC[N@H+](Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954028 561982954 /nfs/dbraw/zinc/98/29/54/561982954.db2.gz YMWKOQNTBFPSFE-JSOSNVBQSA-N 2 0 566.234 5.528 1 0 KKAFRP CC(C)C[C@H](NC(=O)C[NH+](C)C)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960117 561983927 /nfs/dbraw/zinc/98/39/27/561983927.db2.gz QCTVDNMXPAHHCW-JBOQNHBVSA-N 2 0 650.230 5.896 1 0 KKAFRP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038873 561989486 /nfs/dbraw/zinc/98/94/86/561989486.db2.gz HIYADFAZLGBXHA-UHFFFAOYSA-N 2 0 563.879 7.337 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029040985 561990903 /nfs/dbraw/zinc/99/09/03/561990903.db2.gz DIRBFKOANBIWMV-RSEQLOHWSA-N 2 0 523.043 5.199 1 0 KKAFRP CC(C)(C)c1ccc(C[NH2+]CCCC[NH2+]CCCNC(=O)CCCCCCC(=O)NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 ZINC000029055296 561994827 /nfs/dbraw/zinc/99/48/27/561994827.db2.gz RPNIBCYMWWNWSM-UHFFFAOYSA-N 2 0 670.943 6.441 1 0 KKAFRP Nc1ncnc2c1cnn2C1CC[NH+](Cc2ccc(-c3ncc(-c4ncccn4)cc3-c3ccccc3)cc2)CC1 ZINC000029125529 561997724 /nfs/dbraw/zinc/99/77/24/561997724.db2.gz XXODKQJLCQAKIT-UHFFFAOYSA-N 2 0 539.647 5.432 1 0 KKAFRP Nc1[nH+]c2cc(Cl)c(Cl)cc2n1CCCOCCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029406539 562020812 /nfs/dbraw/zinc/02/08/12/562020812.db2.gz ALJLEYVKDUBLRP-UHFFFAOYSA-N 2 0 502.233 5.661 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)ccc21 ZINC000031560206 562036253 /nfs/dbraw/zinc/03/62/53/562036253.db2.gz BWILFWOVAKCESR-UHFFFAOYSA-P 2 0 504.634 5.893 1 0 KKAFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(N(C)c3cc[nH+]cc3)cc2)cc1 ZINC000034802917 562042248 /nfs/dbraw/zinc/04/22/48/562042248.db2.gz JLKJJYNPLIIIFH-UHFFFAOYSA-N 2 0 542.812 8.127 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=[NH2+])NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000036113908 562047471 /nfs/dbraw/zinc/04/74/71/562047471.db2.gz QLZRPAJZDAXKNP-UHFFFAOYSA-N 4 0 646.928 5.618 1 0 KKAFRP CCCCCCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036284903 562053509 /nfs/dbraw/zinc/05/35/09/562053509.db2.gz FCUDPMSGYHNKHY-AJQTZOPKSA-N 2 0 608.271 5.181 1 0 KKAFRP CC(C)CC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CCCCC1 ZINC000036285282 562053935 /nfs/dbraw/zinc/05/39/35/562053935.db2.gz ZPRSAUKSZDKCHQ-LOYHVIPDSA-N 2 0 565.202 5.495 1 0 KKAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000040587809 562078428 /nfs/dbraw/zinc/07/84/28/562078428.db2.gz DASUNKDHPZBVDL-XZWHSSHBSA-N 2 0 511.710 5.430 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C(C)C)CC1 ZINC000040866093 562081438 /nfs/dbraw/zinc/08/14/38/562081438.db2.gz NMBBKFHEXZULGI-LOSJGSFVSA-N 2 0 505.534 5.297 1 0 KKAFRP CC[NH+](CCCCCC(=O)N1CCN(C(=O)CCCCC[N@@H+](CC)Cc2ccccc2OC)CC1)Cc1ccccc1OC ZINC000042805295 562089030 /nfs/dbraw/zinc/08/90/30/562089030.db2.gz OBHYIKJNEIZSIH-UHFFFAOYSA-N 2 0 608.868 5.839 1 0 KKAFRP [NH3+]CCCOc1ccc(CN(C(=O)c2ccccc2OCCC[NH3+])c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1 ZINC000043071351 562645553 /nfs/dbraw/zinc/64/55/53/562645553.db2.gz KYJPZMYERDBBNY-UHFFFAOYSA-N 2 0 598.725 6.096 1 0 KKAFRP c1ccc(C(CC[NH2+]CCCC[NH2+]CCC[NH2+]CCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000043118134 562646025 /nfs/dbraw/zinc/64/60/25/562646025.db2.gz XSAXSZCWJBODME-UHFFFAOYSA-N 3 0 533.804 7.370 1 0 KKAFRP [NH2+]=C(NC1CC1)c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC7CC7)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044351295 562654562 /nfs/dbraw/zinc/65/45/62/562654562.db2.gz GNDZZIGATWJLMT-UHFFFAOYSA-N 2 0 578.724 6.713 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc4c(c3)Cc3ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc3S4)nc2c1 ZINC000044352479 562655159 /nfs/dbraw/zinc/65/51/59/562655159.db2.gz XHVKFCBGQHZXIM-UHFFFAOYSA-N 2 0 598.780 7.475 1 0 KKAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH+](CC(C)C)CC(C)C)CC1 ZINC000044358205 562655262 /nfs/dbraw/zinc/65/52/62/562655262.db2.gz GCSCFQKVZJPPIG-BVRKHOPBSA-N 2 0 575.669 6.913 1 0 KKAFRP C[C@@H]1C[NH2+][C@@H](C)CN1c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1 ZINC000044359473 562655477 /nfs/dbraw/zinc/65/54/77/562655477.db2.gz OIQCCSDAEMDIQV-IZZNHLLZSA-N 2 0 636.808 6.105 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000045168558 562658159 /nfs/dbraw/zinc/65/81/59/562658159.db2.gz UPACORAWWDBQNQ-MGBGTMOVSA-N 2 0 544.759 5.647 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCOc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000045168556 562658172 /nfs/dbraw/zinc/65/81/72/562658172.db2.gz UPACORAWWDBQNQ-XIFFEERXSA-N 2 0 544.759 5.647 1 0 KKAFRP O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192115 562658645 /nfs/dbraw/zinc/65/86/45/562658645.db2.gz JGFNXQHSNHTTLG-NDEPHWFRSA-N 2 0 528.697 6.130 1 0 KKAFRP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658863 /nfs/dbraw/zinc/65/88/63/562658863.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 2 0 503.691 5.557 1 0 KKAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@H]3N2)ccc1OCCCCCOc1ccc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045227899 562659420 /nfs/dbraw/zinc/65/94/20/562659420.db2.gz GNKDQOCCBGUANW-OLQMUTRHSA-N 2 0 500.687 5.637 1 0 KKAFRP O=S(=O)(Nc1ccc(CC[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000045228389 562659520 /nfs/dbraw/zinc/65/95/20/562659520.db2.gz WSTUJTFZZOMUPK-PMERELPUSA-N 2 0 517.739 6.037 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000045302481 562660707 /nfs/dbraw/zinc/66/07/07/562660707.db2.gz JICHOECHJUCXDF-UMSFTDKQSA-N 2 0 538.780 6.522 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3cccc(C[NH2+]C4CCCC4)c3)c2)C(=O)CCC2CCCC2)CC1 ZINC000045302758 562660762 /nfs/dbraw/zinc/66/07/62/562660762.db2.gz SUVWIDRLLCQUHV-UHFFFAOYSA-N 2 0 544.828 6.322 1 0 KKAFRP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCCCC3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000045321022 562661040 /nfs/dbraw/zinc/66/10/40/562661040.db2.gz NPLQRTGSIYRGHT-CDZUIXILSA-N 2 0 543.752 6.064 1 0 KKAFRP CCCCOc1c(C[NH2+]CCCCCC[NH2+]Cc2ccc3ccccc3c2OCCCC)ccc2ccccc21 ZINC000045336797 562661395 /nfs/dbraw/zinc/66/13/95/562661395.db2.gz FTGHYFZZYMAYLU-UHFFFAOYSA-N 2 0 540.792 8.791 1 0 KKAFRP c1cc2c([n+](CCCc3ccc(-c4ccc(CCC[n+]5cccc6c5CCCC6)cc4)cc3)c1)CCCC2 ZINC000045367769 562662137 /nfs/dbraw/zinc/66/21/37/562662137.db2.gz VXIOJKYKGPNJIS-UHFFFAOYSA-N 2 0 502.746 6.952 1 0 KKAFRP [NH3+]CCCCCCCC(=O)Nc1ccc(OCCC[NH3+])cc1C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 ZINC000045384302 562662345 /nfs/dbraw/zinc/66/23/45/562662345.db2.gz DFYBUFMAHDCORK-UHFFFAOYSA-N 2 0 536.648 5.836 1 0 KKAFRP CC(=O)N(Cc1ccccc1-c1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049604993 562665187 /nfs/dbraw/zinc/66/51/87/562665187.db2.gz DHBVYDFNRYSPEP-UHFFFAOYSA-N 2 0 561.726 6.385 1 0 KKAFRP FC(F)(F)COc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OCC(F)(F)F)c3ccccc23)c2ccccc12 ZINC000049605003 562665240 /nfs/dbraw/zinc/66/52/40/562665240.db2.gz WKURNDJLGMJLLR-UHFFFAOYSA-N 2 0 592.624 8.315 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)CCC2CCCC2)CC1 ZINC000049605071 562665300 /nfs/dbraw/zinc/66/53/00/562665300.db2.gz GMXIBMPBORHLKP-UHFFFAOYSA-N 2 0 610.843 6.309 1 0 KKAFRP CCCCCc1cc(OC(=O)CCC[NH+](CC)CC)c2c(c1)OC(C)(C)C=C2C1=CC[N@H+](Cc2ccc3ccccc3c2)CC1 ZINC000049605219 562665496 /nfs/dbraw/zinc/66/54/96/562665496.db2.gz OSJSMNQYKMBUOC-UHFFFAOYSA-N 2 0 608.867 8.987 1 0 KKAFRP COc1cc2ccccc2cc1OCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000049605210 562665512 /nfs/dbraw/zinc/66/55/12/562665512.db2.gz YMYIGUPBKRNGHH-WJOKGBTCSA-N 2 0 548.747 5.141 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]Cc3ccc(Cl)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605262 562665621 /nfs/dbraw/zinc/66/56/21/562665621.db2.gz LATXSWMXNIVTOF-DQEYMECFSA-N 2 0 574.596 7.730 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000049605277 562665626 /nfs/dbraw/zinc/66/56/26/562665626.db2.gz SXIAVEDDUFSJFY-NNYLQAQQSA-N 2 0 579.810 6.631 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@@H](C)[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605316 562665699 /nfs/dbraw/zinc/66/56/99/562665699.db2.gz CIRKMYZTGAYXAM-DNQXCXABSA-N 2 0 609.041 8.383 1 0 KKAFRP C[C@@H](Cc1ccc(COc2ccc(C[C@@H](CO)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605708 562666219 /nfs/dbraw/zinc/66/62/19/562666219.db2.gz NFOBFPWDECPYDW-JKFCTSDTSA-N 2 0 591.623 7.071 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)cc2)cc1)C[C@H]1CCCC[NH2+]1 ZINC000049605696 562666227 /nfs/dbraw/zinc/66/62/27/562666227.db2.gz URWKLKCYFZHRRR-KGXCEEAYSA-N 2 0 580.798 6.026 1 0 KKAFRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000049605701 562666265 /nfs/dbraw/zinc/66/62/65/562666265.db2.gz AZMCTKVBGZHVBB-SANMLTNESA-N 2 0 552.546 6.350 1 0 KKAFRP COCC[NH2+]Cc1ccc(-c2ccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000049605797 562666350 /nfs/dbraw/zinc/66/63/50/562666350.db2.gz FIUWFFIZQJQUGJ-UHFFFAOYSA-N 2 0 562.758 6.788 1 0 KKAFRP CC1(C)C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@](C)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000049625725 562666838 /nfs/dbraw/zinc/66/68/38/562666838.db2.gz QOVZCEMZNPLLEY-KUFVUHJUSA-N 2 0 602.868 5.499 1 0 KKAFRP CCOc1cc(OCC)c(C[NH2+]CCCCCC[NH2+]Cc2c(OCC)cc(OCC)c3ccccc32)c2ccccc12 ZINC000049626089 562667011 /nfs/dbraw/zinc/66/70/11/562667011.db2.gz VWVQEEUVFCFSFO-UHFFFAOYSA-N 2 0 572.790 8.028 1 0 KKAFRP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)nc(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049626257 562667123 /nfs/dbraw/zinc/66/71/23/562667123.db2.gz DCDWCNUCVKJWMT-UHFFFAOYSA-N 2 0 555.609 6.715 1 0 KKAFRP COc1ccc(OCCC[NH+]2CCN(C[C@@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)c2ccccc12 ZINC000049639207 562667699 /nfs/dbraw/zinc/66/76/99/562667699.db2.gz BHPZSUGMORPPQT-HKBQPEDESA-N 2 0 548.747 5.141 1 0 KKAFRP Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCCC(=O)NCCC[NH2+]CCCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000049650156 562667973 /nfs/dbraw/zinc/66/79/73/562667973.db2.gz WERVWCUGDNPGJD-UHFFFAOYSA-N 2 0 662.879 6.031 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4ccccc4C)[NH+]4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049710197 562671570 /nfs/dbraw/zinc/67/15/70/562671570.db2.gz HOWBEVGJZAWCRC-PQQNNWGCSA-N 2 0 606.811 5.862 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000049711170 562671989 /nfs/dbraw/zinc/67/19/89/562671989.db2.gz XGXDNIBCNYLDTQ-UHFFFAOYSA-N 2 0 560.786 7.798 1 0 KKAFRP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000049722720 562672439 /nfs/dbraw/zinc/67/24/39/562672439.db2.gz BQIVPPWUXSHORF-SFZOGYSGSA-N 2 0 610.843 5.579 1 0 KKAFRP CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049723107 562672943 /nfs/dbraw/zinc/67/29/43/562672943.db2.gz QETBJDUNCHATJL-SVBPBHIXSA-N 2 0 611.230 7.077 1 0 KKAFRP O=C(C[C@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000049745938 562674135 /nfs/dbraw/zinc/67/41/35/562674135.db2.gz QCQRCIZXYXWVOZ-ZPGRZCPFSA-N 2 0 715.722 8.374 1 0 KKAFRP C[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049746947 562674670 /nfs/dbraw/zinc/67/46/70/562674670.db2.gz HMUKMFSLLRDOBR-CLJLJLNGSA-N 2 0 624.678 7.321 1 0 KKAFRP C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049746949 562674688 /nfs/dbraw/zinc/67/46/88/562674688.db2.gz HMUKMFSLLRDOBR-UIOOFZCWSA-N 2 0 624.678 7.321 1 0 KKAFRP CCCCCC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049761968 562676261 /nfs/dbraw/zinc/67/62/61/562676261.db2.gz XSZPOOITCBBDOF-MYVDGKSCSA-N 2 0 661.935 8.375 1 0 KKAFRP Oc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771181 562678019 /nfs/dbraw/zinc/67/80/19/562678019.db2.gz RBDJNSDRHVXHEQ-NCZZEDDZSA-N 3 0 671.974 5.756 1 0 KKAFRP O=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=O)NC(=O)N(c1ccccc1)c1ccccc1)NC(=O)N(c1ccccc1)c1ccccc1 ZINC000049777062 562679585 /nfs/dbraw/zinc/67/95/85/562679585.db2.gz IQPSSCBJLSASCQ-UHFFFAOYSA-N 2 0 720.919 7.411 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@@](C[NH2+]CC2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049777141 562679700 /nfs/dbraw/zinc/67/97/00/562679700.db2.gz CKXNLQJVGHCHFU-BHVANESWSA-N 2 0 611.868 6.348 1 0 KKAFRP c1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777727 562680473 /nfs/dbraw/zinc/68/04/73/562680473.db2.gz BOAPHGYLZRIUAU-QHQGJXSCSA-N 3 0 655.975 6.050 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)[NH2+]2)CC1 ZINC000049778355 562681258 /nfs/dbraw/zinc/68/12/58/562681258.db2.gz HEILVIDOVAHKRM-LBFZIJHGSA-N 2 0 648.267 5.183 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780763 562682231 /nfs/dbraw/zinc/68/22/31/562682231.db2.gz POQQQMBUIRUZSH-BHVANESWSA-N 2 0 609.852 5.773 1 0 KKAFRP CCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049781023 562682543 /nfs/dbraw/zinc/68/25/43/562682543.db2.gz LCILEFHVEKLNKZ-DEOSSOPVSA-N 2 0 625.777 5.236 1 0 KKAFRP O=C(c1cccs1)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049781073 562682636 /nfs/dbraw/zinc/68/26/36/562682636.db2.gz BHNZQVFCIOQAAK-VWLOTQADSA-N 2 0 679.850 6.202 1 0 KKAFRP Cc1cc(Cl)c(OCCCc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cc(CCC[NH+](C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781153 562682710 /nfs/dbraw/zinc/68/27/10/562682710.db2.gz DYGTZUDCRYLTSM-MUUNZHRXSA-N 2 0 645.115 7.770 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793395 562684774 /nfs/dbraw/zinc/68/47/74/562684774.db2.gz YCPUQJWPWMUTCY-XQGRUXGKSA-N 3 0 655.975 6.316 1 0 KKAFRP Fc1cccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793511 562684921 /nfs/dbraw/zinc/68/49/21/562684921.db2.gz GNBNJHANHQQZGE-ITMZJIMRSA-N 3 0 673.965 6.189 1 0 KKAFRP Clc1ccc(CC[N@@H+]2CCN([C@@H](Cc3ccccc3)C[NH+]3CCC[C@@H]3CN3CC[NH2+]C[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 562685855 /nfs/dbraw/zinc/68/58/55/562685855.db2.gz QAXALPWFTFJDCV-IYHZCDIESA-N 3 0 724.865 7.357 1 0 KKAFRP CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3nc2Nc2cc(C(=O)Nc3cccc(C)c3)ccc2C)ncn1 ZINC000049872012 562689685 /nfs/dbraw/zinc/68/96/85/562689685.db2.gz MFMWEMNCORMIPH-UHFFFAOYSA-N 2 0 576.749 6.962 1 0 KKAFRP O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@@]1(c3ccc(Cl)c(Cl)c3)CC[N@H+](Cc3ccco3)C1)CC2 ZINC000049881469 562690801 /nfs/dbraw/zinc/69/08/01/562690801.db2.gz JEFCMVCLMZSGMS-SSEXGKCCSA-N 2 0 567.561 5.939 1 0 KKAFRP COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)[NH+](C)CC5)OCO4 ZINC000049888703 562691408 /nfs/dbraw/zinc/69/14/08/562691408.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 2 0 592.692 6.571 1 0 biogenic,in-vitro KKAFRP [NH3+]CCc1c2c(ccc(O)c2[C@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899641 562693274 /nfs/dbraw/zinc/69/32/74/562693274.db2.gz KJQYELPBSPDCOH-RTWAWAEBSA-N 3 0 650.419 6.044 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)c2)C(=O)CCC2CCCC2)CC1 ZINC000049917945 562694171 /nfs/dbraw/zinc/69/41/71/562694171.db2.gz AIXLHTIELCJLJP-UHFFFAOYSA-N 2 0 610.843 6.309 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917951 562694213 /nfs/dbraw/zinc/69/42/13/562694213.db2.gz MRTBVKRQUYCGND-UHFFFAOYSA-N 2 0 608.830 8.385 1 0 KKAFRP COc1c2ccccc2c(CC[NH2+]CCCC[NH2+]CCc2c3ccccc3c(OC)c(OC)c2OC)c(OC)c1OC ZINC000049918185 562694548 /nfs/dbraw/zinc/69/45/48/562694548.db2.gz HYOZFWPFNUFOMW-UHFFFAOYSA-N 2 0 576.734 5.789 1 0 KKAFRP CC[C@@H]1C[N@@H+]2CC[C@]34c5ccccc5N5C[C@@]6(CC(=C53)[C@H]1C[C@H]24)C1=Nc2ccccc2[C@@]12CC[NH+]1C[C@@H](CC)[C@@H]6C[C@H]12 ZINC000056719875 562697847 /nfs/dbraw/zinc/69/78/47/562697847.db2.gz NIWAAJOAUHCXJR-OIKIWXJDSA-N 2 0 556.798 6.280 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccc(F)cc2)C2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000058482290 562698005 /nfs/dbraw/zinc/69/80/05/562698005.db2.gz LPXYEMDNYLWJPE-LHEWISCISA-N 2 0 699.937 6.859 1 0 KKAFRP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058562995 562699326 /nfs/dbraw/zinc/69/93/26/562699326.db2.gz BVWCYHRUYZIHDM-AFQHYTHHSA-N 3 0 729.858 7.626 1 0 KKAFRP Cc1cc2c(cc1Cl)C1(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC1)O[C@@H]2C(C)(C)[NH+]1CCCC1 ZINC000058581575 562699828 /nfs/dbraw/zinc/69/98/28/562699828.db2.gz GPRDPRZSQHKVGO-FBXLTAPESA-N 2 0 642.231 6.585 1 0 KKAFRP CC[NH+](CC)Cc1cccc([C@@]23C[C@@H]2C[C@@H](N(CC[NH+](C(C)C)C(C)C)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000064417111 562705148 /nfs/dbraw/zinc/70/51/48/562705148.db2.gz RYKUCGZOIHVSPY-PXIYBIITSA-N 2 0 571.225 7.784 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000064512902 562706326 /nfs/dbraw/zinc/70/63/26/562706326.db2.gz CSGHEFPBRMHRMG-AQOUDTPCSA-N 2 0 594.881 6.478 1 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@H]2CC(C)C)C(C)C)C(=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148434 562713619 /nfs/dbraw/zinc/71/36/19/562713619.db2.gz CQCAFCHBUMFWEZ-PQCPUKMBSA-N 3 0 606.731 6.037 3 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@H+](CCCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000068087726 562715738 /nfs/dbraw/zinc/71/57/38/562715738.db2.gz QLOCEFPHCAKSLE-DHUJRADRSA-N 2 0 655.327 8.336 1 0 KKAFRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)([NH+]4CCCCC4)CC3)C(C)(C)C2)cc1 ZINC000070631599 562716445 /nfs/dbraw/zinc/71/64/45/562716445.db2.gz KDSKMRMZRYWAIM-KHMDJKJYSA-N 2 0 531.785 6.545 1 0 KKAFRP CC(C)(C)c1ccc(NC(=O)CCCC[NH3+])c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCCC[NH3+])cc2)c1 ZINC000071277202 562716557 /nfs/dbraw/zinc/71/65/57/562716557.db2.gz BBWOXXMADOXYGI-UHFFFAOYSA-N 2 0 570.822 7.751 1 0 KKAFRP Nc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281522 562716703 /nfs/dbraw/zinc/71/67/03/562716703.db2.gz HHXBZMLYKPYBGU-ULJKERAFSA-N 2 0 533.720 6.051 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@H+](CCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071317208 562718150 /nfs/dbraw/zinc/71/81/50/562718150.db2.gz REXVRCXDIWIKGL-UMSFTDKQSA-N 2 0 641.300 7.945 1 0 KKAFRP c1ccc2c(c1)Cc1c-2[nH+]c2ccccc2c1NCCCCCCCNc1c2c([nH+]c3ccccc31)-c1ccccc1C2 ZINC000072113363 562722351 /nfs/dbraw/zinc/72/23/51/562722351.db2.gz NQXQNWAFOUTKOY-UHFFFAOYSA-N 2 0 560.745 9.400 1 0 KKAFRP O=C1C(c2cccs2)=C(c2c[nH]c3ccccc32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)C(c2cccs2)=C(c2c[nH]c3ccccc32)C1=O ZINC000072113535 562722429 /nfs/dbraw/zinc/72/24/29/562722429.db2.gz UOQYSBZJZKECSK-UHFFFAOYSA-N 2 0 714.873 5.601 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(N1CCCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116983 562723281 /nfs/dbraw/zinc/72/32/81/562723281.db2.gz JCPFHRAFMALJIB-UHFFFAOYSA-N 2 0 538.781 5.558 1 0 KKAFRP O=C(CC[NH2+]CCCCNc1c2ccccc2[nH+]c2c1CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072118965 562723740 /nfs/dbraw/zinc/72/37/40/562723740.db2.gz AZJSQHOYALXJEK-UHFFFAOYSA-N 2 0 583.736 7.074 1 0 KKAFRP C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072127691 562725791 /nfs/dbraw/zinc/72/57/91/562725791.db2.gz FVMRTXRMMXTDPD-NKIORRDJSA-N 3 0 646.711 5.794 3 0 KKAFRP CC(C)[C@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000072127680 562725854 /nfs/dbraw/zinc/72/58/54/562725854.db2.gz OFNPIDSWPNQWQB-IEFDIXSJSA-N 3 0 674.765 6.430 3 0 KKAFRP C[NH+](C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(NCc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073199290 562735996 /nfs/dbraw/zinc/73/59/96/562735996.db2.gz XGJLXNSFHIIVQQ-UHFFFAOYSA-N 2 0 527.517 5.497 1 0 KKAFRP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C2)CC[NH+]1C ZINC000073258753 562737128 /nfs/dbraw/zinc/73/71/28/562737128.db2.gz ODCYIKWOTVSPKB-LOYHVIPDSA-N 2 0 622.762 6.743 1 0 KKAFRP C[NH+]1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150146 562739748 /nfs/dbraw/zinc/73/97/48/562739748.db2.gz NWCDXZDSLNCFBZ-WYJFYEORSA-N 2 0 515.742 5.142 1 0 KKAFRP Brc1cnc2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]c2c1NCCC1CC[NH2+]CC1 ZINC000084597045 562743937 /nfs/dbraw/zinc/74/39/37/562743937.db2.gz PBIZHXWVUCRCKS-UHFFFAOYSA-N 2 0 527.511 5.054 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084614740 562744398 /nfs/dbraw/zinc/74/43/98/562744398.db2.gz LUGRPYHMYKPOKB-IZLXSDGUSA-N 2 0 655.758 11.609 1 0 KKAFRP C[NH2+][C@@H](Cc1cc(Br)c(OC)c(Br)c1)C(=O)NCCc1cc(Br)c(OCCC[NH+](C)C)c(Br)c1 ZINC000084728424 562751432 /nfs/dbraw/zinc/75/14/32/562751432.db2.gz HHUYMSYAYISIIN-NRFANRHFSA-N 2 0 729.146 5.565 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084757352 562752390 /nfs/dbraw/zinc/75/23/90/562752390.db2.gz CCIXUQAEAWQXGP-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP CC(C)(C)c1cc(C[NH2+]C[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758697 562752698 /nfs/dbraw/zinc/75/26/98/562752698.db2.gz IAADTHQACMECFU-HHHXNRCGSA-N 2 0 590.843 9.069 1 0 KKAFRP O=C(c1ccccc1)N(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(C(=O)c4ccccc4)C(=O)c4ccccc4)C3)cc2)C1 ZINC000095536516 562753895 /nfs/dbraw/zinc/75/38/95/562753895.db2.gz RWORRXPCSGCYTM-ZRKBJOGQSA-N 2 0 774.918 7.129 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCC[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000095539305 562754974 /nfs/dbraw/zinc/75/49/74/562754974.db2.gz FZZBBNKOTQZFER-UHFFFAOYSA-N 2 0 760.949 5.745 1 0 KKAFRP Cc1oc2c(cc3c(C)cc(=O)oc3c2C)c1/C=C/C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)/C=C/c1c(C)oc2c1cc1c(C)cc(=O)oc1c2C ZINC000095546943 562758613 /nfs/dbraw/zinc/75/86/13/562758613.db2.gz KSCRDQHCEUHFEM-PHEQNACWSA-N 2 0 762.904 6.941 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCCC[NH2+]Cc1ccc(-c2ccc(-c3ccc(C[NH2+]CCCCNc4ccnc5cc(Cl)ccc54)cc3)s2)cc1 ZINC000095551702 562760383 /nfs/dbraw/zinc/76/03/83/562760383.db2.gz YADTUKIPRCONOT-UHFFFAOYSA-N 2 0 759.851 11.449 1 0 KKAFRP Fc1cc([C@@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c2ccc(Cl)cc2)ccc1C[NH+]1CCCC1 ZINC000095555496 562761541 /nfs/dbraw/zinc/76/15/41/562761541.db2.gz FYYHDKQPTNFAPC-MHZLTWQESA-N 2 0 513.966 7.843 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095578138 562771189 /nfs/dbraw/zinc/77/11/89/562771189.db2.gz LWHWPAGNHWEOMG-IXQDPOQLSA-N 2 0 520.758 5.729 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cc(C)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000095579314 562771535 /nfs/dbraw/zinc/77/15/35/562771535.db2.gz VCPHEFDUFVYSGM-YXRHGRAISA-N 2 0 807.001 5.105 1 0 KKAFRP COCCc1sc[n+](CCOc2ccc(-c3ccc(OCC[n+]4csc(CCOC)c4C)cc3)cc2)c1C ZINC000095596493 562776984 /nfs/dbraw/zinc/77/69/84/562776984.db2.gz KBRDBXSHPKENOR-UHFFFAOYSA-N 2 0 554.778 5.204 1 0 KKAFRP Oc1ccc2c3c1O[C@H]1c4c(c5c(n4Cc4ccccc4)[C@@H]4Oc6c7c(ccc6O)C[C@H]6[N@H+](CC8CC8)CC[C@]74[C@@]6(O)C5)C[C@@]4(O)[C@@H](C2)[NH+](CC2CC2)CC[C@]314 ZINC000095607710 562783046 /nfs/dbraw/zinc/78/30/46/562783046.db2.gz YFEFMSMEIWBCRN-CLLGMEHYSA-N 2 0 751.924 5.346 1 0 KKAFRP [NH3+]CCNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](Cc1ccccc1F)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095614873 562786935 /nfs/dbraw/zinc/78/69/35/562786935.db2.gz DRYAKUMARPNCSI-ZPGRZCPFSA-N 2 0 773.741 5.662 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)cc3)cc2)c1 ZINC000095891005 562790238 /nfs/dbraw/zinc/79/02/38/562790238.db2.gz YJOXYRVIYKLFIO-SSDVNMTOSA-P 2 0 668.798 6.490 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)c(C)c3)cc2)c1 ZINC000095891059 562790239 /nfs/dbraw/zinc/79/02/39/562790239.db2.gz ZNSWJWYWVSVNCB-UHFFFAOYSA-P 2 0 628.733 5.619 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)c(Cl)c3)cc2)c1 ZINC000095891186 562790247 /nfs/dbraw/zinc/79/02/47/562790247.db2.gz GCWNAEVYYUPKJK-UHFFFAOYSA-P 2 0 677.205 6.744 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)cc4)c(OC)c3)cc2)c1 ZINC000095891079 562790252 /nfs/dbraw/zinc/79/02/52/562790252.db2.gz ULNWWQXSACLZNJ-UHFFFAOYSA-P 2 0 672.786 6.099 1 0 KKAFRP CN(CCCCC(=O)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000096174641 562791837 /nfs/dbraw/zinc/79/18/37/562791837.db2.gz UMFKRZOYLNBDPB-RWYGWLOXSA-N 2 0 802.973 6.437 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)[NH2+]C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096921318 562801368 /nfs/dbraw/zinc/80/13/68/562801368.db2.gz CIZNQLQZHULKAK-KPXRDTHESA-N 2 0 571.853 7.916 1 0 KKAFRP [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](OCc3ccc4ccccc4c3)[C@H](OCc3ccc4ccccc4c3)[C@H]2[NH3+])[C@H](O)[C@H]1OCc1ccc2ccccc2c1 ZINC000096932608 562803416 /nfs/dbraw/zinc/80/34/16/562803416.db2.gz DQJXZVYRJFOZKB-NGTUMBJYSA-N 3 0 743.901 5.051 1 0 KKAFRP O=C(NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)c1ccccc1)c1ccccc1 ZINC000096935027 562804012 /nfs/dbraw/zinc/80/40/12/562804012.db2.gz DRRVVLFDHFTOOU-UHFFFAOYSA-N 2 0 522.778 5.707 1 0 KKAFRP COc1ccccc1CC(=O)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)Cc1ccccc1OC ZINC000096935032 562804013 /nfs/dbraw/zinc/80/40/13/562804013.db2.gz QUPSRDCVVDDTPI-UHFFFAOYSA-N 2 0 610.884 5.582 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCCC[NH+]3CCC(c4cccc(OC)c4)CC3)c2)C1C(=O)OC ZINC000100040161 562806283 /nfs/dbraw/zinc/80/62/83/562806283.db2.gz DSPDGDMAZIXKIV-UTDZTPKCSA-N 2 0 590.721 5.508 1 0 KKAFRP C[N@H+](CCCCCc1ccccc1)CCCCN1CC[NH+](CCCCCCCCCOc2ccccc2)CC1 ZINC000103184419 562815324 /nfs/dbraw/zinc/81/53/24/562815324.db2.gz HMRPIZNSUUJOAQ-UHFFFAOYSA-N 2 0 535.861 7.539 1 0 KKAFRP CN(CCCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccn2)cc1 ZINC000103240402 562819436 /nfs/dbraw/zinc/81/94/36/562819436.db2.gz TZWNEAYZBARLCQ-UUWRZZSWSA-N 2 0 574.773 6.668 1 0 KKAFRP CN(CCCC[NH+](C)C)C1=[NH+]c2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240405 562819438 /nfs/dbraw/zinc/81/94/38/562819438.db2.gz LZNDNAOHAWHCTF-UMSFTDKQSA-N 2 0 559.758 6.883 1 0 KKAFRP Cc1ccc(CNC(=O)C[C@@H]2c3ccccc3[NH+]=C(N3CCN(CC[NH+](C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240422 562819462 /nfs/dbraw/zinc/81/94/62/562819462.db2.gz ZJBLZPIKNPZNLZ-PSXMRANNSA-N 2 0 600.811 6.097 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1 ZINC000103252555 562820448 /nfs/dbraw/zinc/82/04/48/562820448.db2.gz XDQXQLGRBQNRHS-LYBMHKGZSA-N 2 0 571.858 6.019 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCCC3)ccc2c(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000103267550 562822489 /nfs/dbraw/zinc/82/24/89/562822489.db2.gz INDTWTKHEVUWJC-UHFFFAOYSA-N 2 0 552.715 6.856 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCC3)ccc2c(-c2ccccc2)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000103267552 562822499 /nfs/dbraw/zinc/82/24/99/562822499.db2.gz JAJGDDDPHSGORJ-UHFFFAOYSA-N 2 0 524.661 6.076 1 0 KKAFRP CN1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc(O)c(c2O4)O3)CCN1C ZINC000105485377 562825305 /nfs/dbraw/zinc/82/53/05/562825305.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N 2 0 548.639 6.645 1 0 KKAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccncc1 ZINC000150344920 562843177 /nfs/dbraw/zinc/84/31/77/562843177.db2.gz BSXVZSCKFMFANJ-BCRBLDSWSA-N 2 0 847.799 6.063 1 0 KKAFRP CCCC[NH+](CCCC)C[C@@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)C[NH+](CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559775 562844856 /nfs/dbraw/zinc/84/48/56/562844856.db2.gz XILSMSISXMCKEO-RNPORBBMSA-N 2 0 914.497 10.346 1 0 KKAFRP CC1(C)O[C@H]2O[C@@H](C[NH2+]CCCCCCC[NH2+]C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000150609010 562848214 /nfs/dbraw/zinc/84/82/14/562848214.db2.gz GWOKPLIRIZBPPP-QTHQXDMBSA-N 2 0 654.845 5.040 1 0 KKAFRP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162168274 562849232 /nfs/dbraw/zinc/84/92/32/562849232.db2.gz AUVBVPKFTGJIST-AANMMBORSA-N 3 0 805.956 8.848 1 0 KKAFRP CC(C)C[C@H](N)C(=O)OC1CCC(NC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@@]3(c4ccc(Cl)cc4NC3=O)[C@H]2c2cccc(Cl)c2F)CC1 ZINC000164796433 562849724 /nfs/dbraw/zinc/84/97/24/562849724.db2.gz UYHLRILAHNMBPG-XSXVMKGCSA-N 2 0 675.673 6.227 1 0 KKAFRP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCCCC3)[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000169308407 562854074 /nfs/dbraw/zinc/85/40/74/562854074.db2.gz NPLQRTGSIYRGHT-XDFJSJKPSA-N 2 0 543.752 6.064 1 0 KKAFRP NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(OCCCCCCCCOc4ccc(-c5ccc(-c6ccc(C(N)=[NH2+])cc6)o5)cc4)cc3)o2)cc1 ZINC000169310163 562854718 /nfs/dbraw/zinc/85/47/18/562854718.db2.gz ZGHXLDQFTDFSDB-UHFFFAOYSA-N 2 0 666.822 9.907 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3cc(F)ccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O ZINC000169323318 562856970 /nfs/dbraw/zinc/85/69/70/562856970.db2.gz OEMARKIPGSUZKA-DHUJRADRSA-N 2 0 735.319 6.996 1 0 KKAFRP C[NH+](C)CCCCC(C)(C)COC(=O)c1ccc2c(c1)sc1ccc(C(=O)OCC(C)(C)CCC[NH+](C)C)cc12 ZINC000169325950 562857695 /nfs/dbraw/zinc/85/76/95/562857695.db2.gz GSHSAUKIRNTPKC-UHFFFAOYSA-N 2 0 568.824 7.494 1 0 KKAFRP CCCCCOCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCOCCCC)c4)cc3)ccc21 ZINC000169330359 562858686 /nfs/dbraw/zinc/85/86/86/562858686.db2.gz CTGSZTFBUHHMFL-UHFFFAOYSA-P 2 0 634.821 7.096 1 0 KKAFRP CC[n+]1cccc2cc(NC(=O)CCc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)ccc21 ZINC000169333040 562859215 /nfs/dbraw/zinc/85/92/15/562859215.db2.gz PKGMIHQOKDHUJQ-UHFFFAOYSA-P 2 0 504.634 5.431 1 0 KKAFRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)O[C@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703938 562868923 /nfs/dbraw/zinc/86/89/23/562868923.db2.gz PLWTZHJSHDGCFT-MUUNZHRXSA-N 2 0 523.508 5.751 1 0 KKAFRP COc1ccc2c3c1O[C@@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCC[N@@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000169716360 562871271 /nfs/dbraw/zinc/87/12/71/562871271.db2.gz KDJCGYBGRLMNCE-ZSGCPLOASA-N 2 0 670.891 6.449 1 0 in-vivo KKAFRP c1cc(Cn2ccc(=[NH+]C3CCCCC3)cc2)ccc1CCCCc1ccc(Cn2ccc(=[NH+]C3CCCCC3)cc2)cc1 ZINC000169724813 562871308 /nfs/dbraw/zinc/87/13/08/562871308.db2.gz ZXKUSMWKYIQEDH-UHFFFAOYSA-N 2 0 586.868 8.418 1 0 KKAFRP [NH2+]=c1ccn(Cc2cccc(-c3cccc(Cn4ccc(=[NH2+])c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12 ZINC000169718811 562871323 /nfs/dbraw/zinc/87/13/23/562871323.db2.gz CCQPJUGSCJCZJM-UHFFFAOYSA-N 2 0 535.478 7.625 1 0 KKAFRP CC[C@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000198226848 562872656 /nfs/dbraw/zinc/87/26/56/562872656.db2.gz JOVYDFKTLBYDPY-HALLIMPHSA-N 3 0 633.929 5.904 1 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000221588892 562879087 /nfs/dbraw/zinc/87/90/87/562879087.db2.gz ZHVZSKZRPGTWQL-BKKFENPESA-N 4 0 514.803 5.058 1 0 KKAFRP c1cc2nc(-c3ccnc(Sc4cc(-c5nc6ccsc6c(N[C@@H]6CC[NH2+]C6)n5)ccn4)c3)nc(N[C@@H]3CC[NH2+]C3)c2s1 ZINC000223685935 562880146 /nfs/dbraw/zinc/88/01/46/562880146.db2.gz FRYRSOUGCVOQKP-WOJBJXKFSA-N 2 0 624.825 5.519 1 0 KKAFRP O=C(CCC(=O)OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1)OC1(c2ccc(Cl)cc2)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000299825671 562883666 /nfs/dbraw/zinc/88/36/66/562883666.db2.gz FCLHHKLNBKMBPS-UHFFFAOYSA-N 2 0 833.800 9.747 1 0 KKAFRP CCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000299849126 562890444 /nfs/dbraw/zinc/89/04/44/562890444.db2.gz RCGLGZGPDWJTFH-DSNGMDLFSA-N 3 0 529.814 6.041 1 0 KKAFRP CC[NH+](CC)CCCNc1nccc(-c2ccc(C[NH2+]CCNc3ccnc4cc(Cl)ccc43)s2)n1 ZINC000299854450 562891370 /nfs/dbraw/zinc/89/13/70/562891370.db2.gz ZDRTZXZCPPNZSP-UHFFFAOYSA-N 2 0 524.138 5.752 1 0 KKAFRP COc1c2cccc1CN1C=CC(=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377811154 562895988 /nfs/dbraw/zinc/89/59/88/562895988.db2.gz MEHJJTIFAFXFIT-UHFFFAOYSA-N 2 0 522.652 7.055 1 0 KKAFRP Cn1ccc(=[NH+]c2ccc(NC(=O)/C=C/c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc2)cc1 ZINC000377848852 562896456 /nfs/dbraw/zinc/89/64/56/562896456.db2.gz QBABYZLDSWTEBQ-ZEELXFFVSA-O 2 0 581.700 6.129 1 0 KKAFRP COc1ccc2c(c1)c1cn(C)ccc-1[n+]2CCCCCCCCC[n+]1c2ccc(OC)cc2c2cn(C)ccc1-2 ZINC000473090810 562897585 /nfs/dbraw/zinc/89/75/85/562897585.db2.gz AOAATWDCZOERLJ-UHFFFAOYSA-N 2 0 550.747 6.903 1 0 KKAFRP CCn1ccc2[n+](CCCCCCCCC[n+]3c4ccccc4c4cn(CC)ccc3-4)c3ccccc3c-2c1 ZINC000473090947 562897662 /nfs/dbraw/zinc/89/76/62/562897662.db2.gz QLNADLCRRYZRHE-UHFFFAOYSA-N 2 0 518.749 7.851 1 0 KKAFRP CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4nccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473092194 562897709 /nfs/dbraw/zinc/89/77/09/562897709.db2.gz RVCDCPBPUZRFKU-UHFFFAOYSA-N 2 0 631.173 6.765 1 0 KKAFRP COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[NH+]4C)cc3)c1)[N@H+](C)CC2 ZINC000044351713 565112437 /nfs/dbraw/zinc/11/24/37/565112437.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 2 0 610.751 6.459 1 0 biogenic,in-vivo KKAFRP C[NH2+]CCOc1cc(O[C@@]23CCCC[C@@H]2C=C[C@H](C)[NH2+]3)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@H]2O ZINC000085567460 565142341 /nfs/dbraw/zinc/14/23/41/565142341.db2.gz LHEXBLOFUOVHCX-ZKHLHWMUSA-N 2 0 685.818 5.212 1 0 biogenic,in-vitro KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947308 581091660 /nfs/dbraw/zinc/09/16/60/581091660.db2.gz HLRVNJVVXBHFTE-LOSJGSFVSA-N 2 0 565.205 9.396 1 0 in-vivo KKAFRP CCCC[C@H]([NH3+])CCC[C@H](C=Cc1ccccc1)CC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@@H]1CC[NH+]=C(N)N1 ZINC000085510236 291936815 /nfs/dbraw/zinc/93/68/15/291936815.db2.gz FAPPUIDHVKHXKX-ZAZAGSLPSA-N 2 0 533.741 5.066 1 0 biogenic,in-vitro KKAFRP Fc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3ccc(F)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000013473791 561714449 /nfs/dbraw/zinc/71/44/49/561714449.db2.gz MWRCDYACTUEODY-UHFFFAOYSA-N 2 0 528.691 8.293 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000013557714 561718900 /nfs/dbraw/zinc/71/89/00/561718900.db2.gz ZDZVMLSAAGSARQ-UHFFFAOYSA-N 2 0 528.762 7.354 1 0 KKAFRP C[N@H+](CCCCSc1c2ccccc2nc2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013612218 561722054 /nfs/dbraw/zinc/72/20/54/561722054.db2.gz MWTLPACFPNMFHP-UHFFFAOYSA-N 2 0 538.805 7.847 1 0 KKAFRP C[N@H+](CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000013675651 561724075 /nfs/dbraw/zinc/72/40/75/561724075.db2.gz ZNDUXFVNQAAWFO-UHFFFAOYSA-N 2 0 532.132 6.121 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@H]3CCC[NH2+]C3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780317 561729064 /nfs/dbraw/zinc/72/90/64/561729064.db2.gz KWGDURXIKWPRNZ-DNQXCXABSA-N 2 0 525.137 6.207 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947311 561744781 /nfs/dbraw/zinc/74/47/81/561744781.db2.gz DBUWWODVSCMGDY-FTJBHMTQSA-N 2 0 579.232 9.786 1 0 in-vivo KKAFRP CN(CC[NH2+]Cc1cn(C)c2c1ccc1ccccc21)CC[NH2+]Cc1cn(C)c2c1ccc1ccccc21 ZINC000019367620 561758492 /nfs/dbraw/zinc/75/84/92/561758492.db2.gz ZDVJIOWDFCUEHJ-UHFFFAOYSA-N 2 0 503.694 5.788 1 0 KKAFRP CC[NH+](CC)CCC[C@H](C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(N[C@@H](C)CCC[NH+](CC)CC)ccnc34)cccc12 ZINC000026170768 561769920 /nfs/dbraw/zinc/76/99/20/561769920.db2.gz XRKABRYLYFWQDP-NSOVKSMOSA-N 2 0 654.904 7.205 1 0 KKAFRP O=C1c2cccc3nc(-c4ccccc4)cc(c32)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3nc(-c4ccccc4)cc(c32)C1=O ZINC000026376984 561782365 /nfs/dbraw/zinc/78/23/65/561782365.db2.gz DVZSWBHUURVMEM-UHFFFAOYSA-N 2 0 688.788 5.969 1 0 KKAFRP COc1cc(Cn2c3ccccc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000026401475 561788492 /nfs/dbraw/zinc/78/84/92/561788492.db2.gz MKHJXHYSBQFZAE-UHFFFAOYSA-N 2 0 510.682 5.831 1 0 KKAFRP COc1cc(Cn2c3ccc(CO)cc3nc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000026469481 561790303 /nfs/dbraw/zinc/79/03/03/561790303.db2.gz PYFRVZABBNQWRT-UHFFFAOYSA-N 2 0 540.708 5.323 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H](c2cccc(-n3ccnc3)c2)C1C(=O)OCC ZINC000026746653 561818964 /nfs/dbraw/zinc/81/89/64/561818964.db2.gz VZJXMGYNIYBWAK-NPAJZZOTSA-N 2 0 514.626 5.186 1 0 KKAFRP COc1ccccc1CN(CCCCCCCCN(Cc1ccccc1OC)C(=O)CCCCC[NH3+])C(=O)CCCCC[NH3+] ZINC000026984518 561831720 /nfs/dbraw/zinc/83/17/20/561831720.db2.gz WHHLEEKPFWZJQD-UHFFFAOYSA-N 2 0 610.884 6.440 1 0 KKAFRP O[C@H](C[NH2+]CCCCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc21 ZINC000027090027 561837038 /nfs/dbraw/zinc/83/70/38/561837038.db2.gz UHJHHXUEKLRVRI-MPGAWZFDSA-N 2 0 617.762 6.110 1 0 KKAFRP O=C(C[NH+]1CCCC[C@@H]1CC1CCCCC1)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCCC[C@H]4CC4CCCCC4)sc3cc2s1 ZINC000027183551 561842124 /nfs/dbraw/zinc/84/21/24/561842124.db2.gz AKANNFYFILQRNV-HNRBIFIRSA-N 2 0 664.986 8.433 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517540 561861277 /nfs/dbraw/zinc/86/12/77/561861277.db2.gz SIRMQLLMKUZYMJ-LOYHVIPDSA-N 2 0 609.699 7.382 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547769 561867211 /nfs/dbraw/zinc/86/72/11/561867211.db2.gz AOIKUDXNCODUKV-LJAQVGFWSA-N 2 0 540.655 5.188 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027549308 561867664 /nfs/dbraw/zinc/86/76/64/561867664.db2.gz XQPITIPYGHBCQW-MUUNZHRXSA-N 2 0 553.650 5.174 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](Cc2cccc3ccccc32)Cc2cccc3ccccc32)CC1 ZINC000027630345 561873687 /nfs/dbraw/zinc/87/36/87/561873687.db2.gz VYUCGOFWANIWJD-UHFFFAOYSA-N 2 0 642.291 8.707 1 0 KKAFRP CC(C)(C)C[NH+](CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC(C)(C)C ZINC000027642546 561875469 /nfs/dbraw/zinc/87/54/69/561875469.db2.gz DXIDURYKJQLUDW-UHFFFAOYSA-N 2 0 502.191 6.092 1 0 KKAFRP [NH3+]CCC[NH+](Cc1ccc(OCc2ccc(Br)cc2)cc1)Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000027714478 561880155 /nfs/dbraw/zinc/88/01/55/561880155.db2.gz IWWHEMLMFMYKGP-UHFFFAOYSA-N 2 0 624.417 7.721 1 0 KKAFRP COc1cccc2c(Cc3ccc(O[C@@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c(-c3ccc(OCC[NH+]4CCCC4)cc3)sc21 ZINC000027859286 561886856 /nfs/dbraw/zinc/88/68/56/561886856.db2.gz FSBTYZAZVMVHQU-LQFQNGICSA-N 2 0 624.891 8.818 1 0 KKAFRP C[N@@H+]1CCCC[C@H]1COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000027868337 561887963 /nfs/dbraw/zinc/88/79/63/561887963.db2.gz DIXISCIHDAFNGJ-NDEPHWFRSA-N 2 0 540.773 7.497 1 0 KKAFRP c1coc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2ccco2)c1 ZINC000027895072 561890189 /nfs/dbraw/zinc/89/01/89/561890189.db2.gz SIPOMVHLUHHZEN-UHFFFAOYSA-N 4 0 502.788 6.393 1 0 KKAFRP CC[N@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(-c2ccccc2)cc1 ZINC000028137560 561906982 /nfs/dbraw/zinc/90/69/82/561906982.db2.gz QOTIFUHLTVLZQH-UHFFFAOYSA-N 2 0 545.815 7.494 1 0 KKAFRP CNc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028220983 561907233 /nfs/dbraw/zinc/90/72/33/561907233.db2.gz ZQTKUNGBSRIAPJ-UHFFFAOYSA-N 2 0 541.761 6.977 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249821 561910874 /nfs/dbraw/zinc/91/08/74/561910874.db2.gz VSRNINGYFSXXGJ-HNRBIFIRSA-N 2 0 592.788 6.159 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCCCCCCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028256370 561911542 /nfs/dbraw/zinc/91/15/42/561911542.db2.gz OXAAGBQBYPOTMI-HEVIKAOCSA-N 2 0 676.950 8.499 1 0 KKAFRP COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)[NH2+]C[C@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028458224 561924394 /nfs/dbraw/zinc/92/43/94/561924394.db2.gz PWXFIVWHBYGMBN-XAPASHSMSA-N 2 0 607.195 6.489 1 0 KKAFRP COc1ccc(CC[NH2+]C2CC[NH+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000028461559 561925292 /nfs/dbraw/zinc/92/52/92/561925292.db2.gz LGQYPGOMQMDOPS-UHFFFAOYSA-N 2 0 508.653 6.191 1 0 KKAFRP CN(C)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)C)c5ccc(Cl)cc54)c3)c2)c2cc(Cl)ccc12 ZINC000028474475 561927629 /nfs/dbraw/zinc/92/76/29/561927629.db2.gz NZLBCUUCPDYVIM-UHFFFAOYSA-N 2 0 593.602 7.770 1 0 in-vivo KKAFRP CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)C)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000028475743 561927994 /nfs/dbraw/zinc/92/79/94/561927994.db2.gz OMGUGPOGQOVWIM-UHFFFAOYSA-N 2 0 593.602 7.770 1 0 KKAFRP c1ccc2c(c1)c(N1CCCCCC1)cc[n+]2Cc1ccc(-c2ccc(C[n+]3ccc(N4CCCCCC4)c4ccccc43)cc2)cc1 ZINC000028476588 561928285 /nfs/dbraw/zinc/92/82/85/561928285.db2.gz HWDGDVNJZOXXKY-UHFFFAOYSA-N 2 0 632.896 9.092 1 0 in-vivo KKAFRP CCOC(=O)Cc1c(CCCCCCCCCCCCc2sc[n+](Cc3ccccc3)c2CC(=O)OCC)sc[n+]1Cc1ccccc1 ZINC000028520554 561928978 /nfs/dbraw/zinc/92/89/78/561928978.db2.gz NOOQSAZUUHZIPZ-UHFFFAOYSA-N 2 0 691.016 8.379 1 0 KKAFRP Cc1c(CCOC(C)C)sc[n+]1CCCCCCCCCCCC[n+]1csc(CCOC(C)C)c1C ZINC000028520583 561928979 /nfs/dbraw/zinc/92/89/79/561928979.db2.gz PVTHAGQLBRJHJD-UHFFFAOYSA-N 2 0 538.908 7.538 1 0 KKAFRP CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)CN1c2ccccc2C2(CC[NH+](CC3CCCCCCC3)CC2)C1=O ZINC000028528406 561933034 /nfs/dbraw/zinc/93/30/34/561933034.db2.gz AYCGNXRJKLUATE-PMERELPUSA-N 2 0 531.785 5.919 1 0 KKAFRP COc1ccc2c(c1)CC[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[NH+]3CCCc1ccccc1)C2 ZINC000028570585 561938933 /nfs/dbraw/zinc/93/89/33/561938933.db2.gz XHEDQUWNGKQHNB-OLQUXKRTSA-N 2 0 581.801 5.709 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCCCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000028641937 561943354 /nfs/dbraw/zinc/94/33/54/561943354.db2.gz MZFMWJDXNSJHBN-UHFFFAOYSA-N 2 0 632.805 6.575 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(C(C)(C)C)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646406 561945391 /nfs/dbraw/zinc/94/53/91/561945391.db2.gz YJFGVOGMLJKANE-DIPNUNPCSA-N 2 0 584.868 7.108 1 0 KKAFRP C[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646201 561944946 /nfs/dbraw/zinc/94/49/46/561944946.db2.gz DHBLNDNHOSFWJG-WJOKGBTCSA-N 2 0 549.601 5.531 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(CN4CC[NH+](C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000028650161 561945955 /nfs/dbraw/zinc/94/59/55/561945955.db2.gz MSGLJZRUHLHKNC-KXPXUPBWSA-N 2 0 598.251 6.690 1 0 KKAFRP CC[NH+](CCCCCCNc1ccc(NCCCCCC[N@@H+](CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC ZINC000028711569 561952069 /nfs/dbraw/zinc/95/20/69/561952069.db2.gz LDVMPEHILZZOPY-UHFFFAOYSA-N 2 0 602.908 8.693 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCC[NH+](C)Cc1cccc2ccccc21 ZINC000028714109 561954670 /nfs/dbraw/zinc/95/46/70/561954670.db2.gz LRAHGMFKJZCSRN-WHMCYVJPSA-N 2 0 580.817 6.109 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCC[NH+](C)Cc1cccnc1 ZINC000028714101 561954712 /nfs/dbraw/zinc/95/47/12/561954712.db2.gz LADGDOYZRPTNLJ-WWEBLFKJSA-N 2 0 587.853 5.911 1 0 KKAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000028823653 561968339 /nfs/dbraw/zinc/96/83/39/561968339.db2.gz DASUNKDHPZBVDL-LOYHVIPDSA-N 2 0 511.710 5.430 1 0 KKAFRP Cc1ccc(N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccc(Cl)cc3)CC2)c([C@@H]([NH3+])C(C)C)c1 ZINC000028824137 561968959 /nfs/dbraw/zinc/96/89/59/561968959.db2.gz UASVFNVUSHUKON-WTGSTYHVSA-N 2 0 545.171 5.869 1 0 KKAFRP Cc1cccc[n+]1CCCCCc1cc(CCCCC[n+]2ccccc2C)cc(CCCCC[n+]2ccccc2C)c1 ZINC000028861863 561971824 /nfs/dbraw/zinc/97/18/24/561971824.db2.gz UQTQKWBUDLJWSO-UHFFFAOYSA-N 3 0 564.882 7.713 1 0 KKAFRP Cc1cc[n+](CCCCCc2cc(CCCCC[n+]3ccc(C)cc3)cc(CCCCC[n+]3ccc(C)cc3)c2)cc1 ZINC000028861870 561971879 /nfs/dbraw/zinc/97/18/79/561971879.db2.gz UNFHHIMRVNNTNU-UHFFFAOYSA-N 3 0 564.882 7.713 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](Cc5ccccc5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864232 561972792 /nfs/dbraw/zinc/97/27/92/561972792.db2.gz LGZCPDJXYFESET-MUUNZHRXSA-N 2 0 598.738 5.424 1 0 KKAFRP Cc1ccc(C[N@@H+]2CCc3c(c(=O)n(C[C@@H]4CCC[NH+](C5CCCC5)C4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864227 561972890 /nfs/dbraw/zinc/97/28/90/561972890.db2.gz NZSDKYVGCXLJBU-RUZDIDTESA-N 2 0 576.732 5.166 1 0 KKAFRP FC(F)(F)c1ccc(OC[C@H]2CCC[NH+]2CCCCCCCCCCCCCCCC[N@H+]2CCC[C@@H]2COc2ccc(C(F)(F)F)cc2)cc1 ZINC000028865226 561973358 /nfs/dbraw/zinc/97/33/58/561973358.db2.gz INRWUGJSBXSJNL-LQFQNGICSA-N 2 0 712.904 11.572 1 0 KKAFRP COC[C@@H](C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953884 561982573 /nfs/dbraw/zinc/98/25/73/561982573.db2.gz NTSVKAKPSQAZRL-KPNCYPGSSA-N 2 0 567.218 5.027 1 0 KKAFRP O=C([C@H]1C[N@H+](C2CCOCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953909 561982605 /nfs/dbraw/zinc/98/26/05/561982605.db2.gz KHEXESSWWLGQFI-ZWXJPIIXSA-N 2 0 579.229 5.171 1 0 KKAFRP O=C([C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953878 561982652 /nfs/dbraw/zinc/98/26/52/561982652.db2.gz VZPRVDGTVZKWGG-NOCHOARKSA-N 2 0 585.236 6.193 1 0 KKAFRP COc1ccccc1C[NH2+]CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028953962 561982773 /nfs/dbraw/zinc/98/27/73/561982773.db2.gz ICBIHFQQCZTDBA-IHLOFXLRSA-N 2 0 567.218 5.409 1 0 KKAFRP COc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1F ZINC000028954011 561982877 /nfs/dbraw/zinc/98/28/77/561982877.db2.gz UQIQXCRYYCAMIP-WDYNHAJCSA-N 2 0 585.208 5.548 1 0 KKAFRP COc1ccc(CN(CC2([NH+]3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)OC)cc1 ZINC000028954022 561982984 /nfs/dbraw/zinc/98/29/84/561982984.db2.gz ZDZFCDPVKZIKNA-ZWXJPIIXSA-N 2 0 597.244 5.683 1 0 KKAFRP CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960143 561983935 /nfs/dbraw/zinc/98/39/35/561983935.db2.gz UDTYAJUDWQPEAI-OUEGXDDWSA-N 2 0 636.203 5.682 1 0 KKAFRP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@]35CC[C@H](CCC[NH+]3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985741 /nfs/dbraw/zinc/98/57/41/561985741.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 2 0 564.774 6.416 1 0 in-vivo KKAFRP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[N@@H+]6CC[C@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000028970311 561985757 /nfs/dbraw/zinc/98/57/57/561985757.db2.gz BHRFYFSYVSXAIC-FZWSRNBZSA-N 2 0 568.806 7.009 1 0 KKAFRP O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3CCCCCC[NH+]3[C@H]41)CCCCCCCC2 ZINC000028970332 561985817 /nfs/dbraw/zinc/98/58/17/561985817.db2.gz RLKPOAPLTKGPPH-WVKCEPFPSA-N 2 0 552.807 7.304 1 0 KKAFRP CC[NH+](CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCC[N@@H+](CC)Cc3ccccc3OC)cc2)cc1)Cc1ccccc1OC ZINC000029041580 561991191 /nfs/dbraw/zinc/99/11/91/561991191.db2.gz DQFITZQWLBZWPL-UHFFFAOYSA-N 2 0 706.972 9.413 1 0 KKAFRP C[NH+](CCC[N@@H+](C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042806 561991647 /nfs/dbraw/zinc/99/16/47/561991647.db2.gz ORKIMQYINJNMRH-UHFFFAOYSA-N 2 0 550.787 6.673 1 0 KKAFRP Clc1ccc([NH+]=c2ccn(CCCCCCCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229433 562009020 /nfs/dbraw/zinc/00/90/20/562009020.db2.gz WJKOMCFXALVUDA-UHFFFAOYSA-N 2 0 547.574 8.882 1 0 KKAFRP C[NH+](CCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21)CCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029406511 562020815 /nfs/dbraw/zinc/02/08/15/562020815.db2.gz VAQZCSREUQKYSB-UHFFFAOYSA-N 3 0 515.276 5.576 1 0 KKAFRP CC1(C)N=C(N)[NH+]=C(N)N1c1ccc(OCCCCCCCCCCCCOc2ccc(N3C(N)=[NH+]C(N)=NC3(C)C)cc2)cc1 ZINC000029410675 562021543 /nfs/dbraw/zinc/02/15/43/562021543.db2.gz JIHOYVBNPOZOGR-UHFFFAOYSA-N 2 0 632.858 5.416 1 0 KKAFRP CC1CC[NH+](Cc2cccc(C(=O)NCc3ccc(F)c(-c4cccc(CN5CC[NH2+][C@@H](C)C5)c4)c3)c2)CC1 ZINC000035904511 562045746 /nfs/dbraw/zinc/04/57/46/562045746.db2.gz OACOFBLWKQLCII-VWLOTQADSA-N 2 0 528.716 5.448 1 0 KKAFRP CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000036284684 562053374 /nfs/dbraw/zinc/05/33/74/562053374.db2.gz CXNCKVKDTNIURI-SXLOSVNLSA-N 2 0 634.240 5.311 1 0 KKAFRP CC[NH+](CC)C[C@@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036285170 562053886 /nfs/dbraw/zinc/05/38/86/562053886.db2.gz BGUKCPVRPFHBPX-SNTUXTEOSA-N 2 0 622.298 5.427 1 0 KKAFRP c1cc(-c2cc(-c3ccc(SCC[NH+]4CCCCC4)cc3)ncn2)ccc1SCC[NH+]1CCCCC1 ZINC000036476203 562061014 /nfs/dbraw/zinc/06/10/14/562061014.db2.gz MXFGQCVNKSHDLS-UHFFFAOYSA-N 2 0 518.796 6.967 1 0 KKAFRP CC1CC[NH+](CCCC(=O)c2ccc3oc4ccc(C(=O)CCC[NH+]5CCC(C)CC5)cc4c3c2)CC1 ZINC000039208143 562072769 /nfs/dbraw/zinc/07/27/69/562072769.db2.gz JYTXZNKJPZKXCI-UHFFFAOYSA-N 2 0 502.699 6.976 1 0 KKAFRP CC(C)CC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@@H]3CCC(C)(C)c4ccccc43)CC2)C1=O ZINC000040898097 562083162 /nfs/dbraw/zinc/08/31/62/562083162.db2.gz XMLGFWNLDRPFTA-GDLZYMKVSA-N 2 0 502.747 5.576 1 0 KKAFRP C[NH2+]C[C@H]1CC[C@H]2C[C@@]34[C@@H](C[C@@]35C[C@@H](CCCCCCc3ccccc3)C[C@H]5[C@@H]2[NH2+]1)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]4O ZINC000085547516 560072305 /nfs/dbraw/zinc/07/23/05/560072305.db2.gz YZUGFQCEXVXTHX-WRGYRJNBSA-N 2 0 562.883 6.634 1 0 biogenic,in-vitro KKAFRP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3C)c(C)c2)C1 ZINC000043099788 562645902 /nfs/dbraw/zinc/64/59/02/562645902.db2.gz GGBHBMIRPAMULK-ACHIHNKUSA-N 2 0 574.854 6.131 1 0 KKAFRP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])N[C@@H](C)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000044281461 562653071 /nfs/dbraw/zinc/65/30/71/562653071.db2.gz VUGDEHFWTAZJIC-PSWAGMNNSA-N 2 0 610.810 7.985 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281403 562653077 /nfs/dbraw/zinc/65/30/77/562653077.db2.gz RJMPZVNRFHISRQ-DBWZWNDFSA-N 2 0 564.862 8.377 1 0 KKAFRP Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@]1(C[C@H]4CC=CCCC[NH+]4[C@H]12)C3 ZINC000044306845 562653844 /nfs/dbraw/zinc/65/38/44/562653844.db2.gz YLOAHDFXBVQPNI-NXEJXYSGSA-N 2 0 566.790 5.901 1 0 KKAFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000044359632 562655500 /nfs/dbraw/zinc/65/55/00/562655500.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 2 0 608.735 6.859 1 0 KKAFRP CSCCC[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2[C@H]([NH3+])CC(C)C)CC1 ZINC000044387783 562656173 /nfs/dbraw/zinc/65/61/73/562656173.db2.gz ZYMBKUCZHDGLGX-CLJLJLNGSA-N 2 0 551.628 5.642 1 0 KKAFRP CC[NH+](CC)Cc1ccc(OCCCCCC[N@@H+]2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(ccc3OC)C2)cc1 ZINC000044430540 562657566 /nfs/dbraw/zinc/65/75/66/562657566.db2.gz PIIFMZVWKZCBRC-JIBXKPLWSA-N 2 0 534.741 5.702 1 0 KKAFRP C[N@@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc12 ZINC000045168640 562658130 /nfs/dbraw/zinc/65/81/30/562658130.db2.gz KZBCKVTZVKBFDM-VXKWHMMOSA-N 2 0 512.481 5.624 1 0 KKAFRP [NH3+]Cc1ccc(-c2ccccc2CN(C(=O)Nc2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045189473 562658375 /nfs/dbraw/zinc/65/83/75/562658375.db2.gz UNEJAVCQCRSPIA-UHFFFAOYSA-N 2 0 504.678 6.511 1 0 KKAFRP CC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5[nH+]ccc(N6CC[NH+](C)CC6)c5c4)cccc23)cc1 ZINC000045189585 562658395 /nfs/dbraw/zinc/65/83/95/562658395.db2.gz HIDLPRJLYWYNFJ-UHFFFAOYSA-N 2 0 528.656 6.191 1 0 KKAFRP CC(C)C[NH2+]Cc1cccc(-c2cccc(CN(CCCN3CC[NH+](C)CC3)C(=O)/C=C/c3ccccc3)c2)c1 ZINC000045190690 562658539 /nfs/dbraw/zinc/65/85/39/562658539.db2.gz GLNCVIJADOEQBZ-WUKNDPDISA-N 2 0 538.780 5.779 1 0 KKAFRP O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4cc[nH+]cc43)CC2)CC1 ZINC000045191598 562658582 /nfs/dbraw/zinc/65/85/82/562658582.db2.gz HGXQNRFBNVBQEV-DUXPYHPUSA-N 2 0 511.497 6.391 1 0 KKAFRP O=C(Nc1ccc(-c2ccccc2)s1)N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192489 562658596 /nfs/dbraw/zinc/65/85/96/562658596.db2.gz POOUKISFVOKVNB-SANMLTNESA-N 2 0 518.727 6.066 1 0 KKAFRP FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc2c1 ZINC000045193040 562658701 /nfs/dbraw/zinc/65/87/01/562658701.db2.gz CEFBMGJPEATIPV-UHFFFAOYSA-N 2 0 513.567 6.633 1 0 KKAFRP CCCOc1ccc(CC[NH2+]CCCC[NH2+]CCc2ccc(OCCC)c3ccccc23)c2ccccc12 ZINC000045194290 562658830 /nfs/dbraw/zinc/65/88/30/562658830.db2.gz QORARIIXAXSJNI-UHFFFAOYSA-N 2 0 512.738 7.315 1 0 KKAFRP CCc1c2c(ccc1CC(C)(C)[NH2+]CCCCCC[NH2+]CCc1ccc(OC)c(OC)c1CC)OCO2 ZINC000045194902 562658833 /nfs/dbraw/zinc/65/88/33/562658833.db2.gz GLRZXXAQBFZFAI-UHFFFAOYSA-N 2 0 512.735 5.861 1 0 KKAFRP CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCc2c(Cl)c(O)c(OC)cc21 ZINC000045196113 562658932 /nfs/dbraw/zinc/65/89/32/562658932.db2.gz NQHIDPMLUMTPJU-ATTMEURXSA-N 2 0 501.067 5.294 1 0 KKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000045201474 562659028 /nfs/dbraw/zinc/65/90/28/562659028.db2.gz KBAPFMBPXXRZKD-NDEPHWFRSA-N 2 0 513.682 5.738 1 0 KKAFRP COc1c(C[NH2+]CCCCCC[NH2+]Cc2cc(Cl)c3ccccc3c2OC)cc(Cl)c2ccccc21 ZINC000045201338 562659036 /nfs/dbraw/zinc/65/90/36/562659036.db2.gz PHTGKJBKXORZKP-UHFFFAOYSA-N 2 0 525.520 7.757 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045209753 562659194 /nfs/dbraw/zinc/65/91/94/562659194.db2.gz KVVPFQGDXRKBEP-ZTOMLWHTSA-N 2 0 528.524 5.449 1 0 KKAFRP CCCOc1ccc2ccccc2c1C[NH2+]CCCCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000045203005 562659251 /nfs/dbraw/zinc/65/92/51/562659251.db2.gz WFYZTLKPHWTSMZ-UHFFFAOYSA-N 2 0 512.738 8.010 1 0 KKAFRP CC(C)(C)CC[N@@H+]1CCN([C@@H](C[NH2+]Cc2ccccc2)Cc2ccc(O)cc2)C[C@@H]1Cc1ccc(O)cc1 ZINC000045301711 562660540 /nfs/dbraw/zinc/66/05/40/562660540.db2.gz UQPKVSYUMZDOJU-IHLOFXLRSA-N 2 0 515.742 5.464 1 0 KKAFRP CCCCOc1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccc(OCCCC)c3ccccc23)c2ccccc12 ZINC000045303251 562660808 /nfs/dbraw/zinc/66/08/08/562660808.db2.gz JCWCGPVOUNJGSX-UHFFFAOYSA-N 2 0 540.792 8.791 1 0 KKAFRP COc1cc(C[NH2+]CCCCCC[NH2+]Cc2cc(OC)c(OC)c3ccccc23)c2ccccc2c1OC ZINC000045325170 562661265 /nfs/dbraw/zinc/66/12/65/562661265.db2.gz KFDCXXFCRZNLDW-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP c1ccc(Cc2cc[n+](CCCCCCCCCCCC[n+]3ccc(Cc4ccccc4)cc3)cc2)cc1 ZINC000045348798 562661640 /nfs/dbraw/zinc/66/16/40/562661640.db2.gz LBZVQMNDECZKOB-UHFFFAOYSA-N 2 0 506.778 8.044 1 0 KKAFRP [NH3+]CCCCCCCC(=O)Nc1ccc(OCCC[NH3+])cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000045389894 562662505 /nfs/dbraw/zinc/66/25/05/562662505.db2.gz HCFOAUZKNLDOPQ-UHFFFAOYSA-N 2 0 518.658 5.697 1 0 KKAFRP O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCOc3ccccc3)cc2)cc1)C[C@@H]1CCCC[NH2+]1 ZINC000049604902 562665036 /nfs/dbraw/zinc/66/50/36/562665036.db2.gz CYRWZLXVCFSXNB-PCLZEVCXSA-N 2 0 595.809 6.467 1 0 KKAFRP CCCCSc1c(C[NH2+]CCCCCC[NH2+]Cc2ccc3ccccc3c2SCCCC)ccc2ccccc21 ZINC000049605195 562665507 /nfs/dbraw/zinc/66/55/07/562665507.db2.gz GMYRSMXEUNNOAG-UHFFFAOYSA-N 2 0 572.928 10.217 1 0 KKAFRP O=C([C@@H]1C[C@@H]1c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH2+]CC1 ZINC000049614042 562666508 /nfs/dbraw/zinc/66/65/08/562666508.db2.gz HQGVZEYQUVZHFL-LQFQNGICSA-N 2 0 543.755 6.570 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049615748 562666676 /nfs/dbraw/zinc/66/66/76/562666676.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 2 0 650.772 7.079 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049615449 562666684 /nfs/dbraw/zinc/66/66/84/562666684.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 2 0 726.870 8.681 1 0 KKAFRP C/C=C/COc1ccc2ccccc2c1C[NH2+]CCCCCCCC[NH2+]Cc1c(OC/C=C/C)ccc2ccccc21 ZINC000049625673 562666815 /nfs/dbraw/zinc/66/68/15/562666815.db2.gz SQFFQUCBIMUYSW-GGWOSOGESA-N 2 0 564.814 9.123 1 0 KKAFRP CC(C)[NH2+]Cc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cc2)c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000049626100 562666977 /nfs/dbraw/zinc/66/69/77/562666977.db2.gz GRPPRMZAVAEHJT-UUWRZZSWSA-N 2 0 557.782 7.128 1 0 KKAFRP O=C(Nc1ccccc1)N(Cc1ccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626091 562667004 /nfs/dbraw/zinc/66/70/04/562667004.db2.gz DZBYMCSGYUAXMF-UHFFFAOYSA-N 2 0 638.812 8.071 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2ccc(-c3cccc(C[NH2+]Cc4ccc5c(c4)OCO5)c3)cc2)C(=O)Nc2ccccc2)CC1 ZINC000049626254 562667110 /nfs/dbraw/zinc/66/71/10/562667110.db2.gz UINYBERBEUKYIV-UHFFFAOYSA-N 2 0 605.783 6.044 1 0 KKAFRP COCC[NH2+]Cc1ccc(-c2ccc(CN(C(=O)NC3CCCCC3)C3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000049626542 562667260 /nfs/dbraw/zinc/66/72/60/562667260.db2.gz USTRDKVGUIBLSE-UHFFFAOYSA-N 2 0 568.806 6.599 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]C2CCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049626893 562667426 /nfs/dbraw/zinc/66/74/26/562667426.db2.gz XNLWNCVJEXEIRV-UHFFFAOYSA-N 2 0 600.851 7.805 1 0 KKAFRP C[NH+](C)CCN1C(=O)c2cccc3c(N4CCN(C(=O)c5ccc(N6CC[NH+](CC=C(c7ccccc7)c7ccccc7)CC6)cc5)CC4)ccc(c32)C1=O ZINC000049694872 562669885 /nfs/dbraw/zinc/66/98/85/562669885.db2.gz YOUYJAYFHLBEAA-UHFFFAOYSA-N 2 0 732.929 6.214 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[NH+]6CC[C@@H]4[C@]4(C[C@@H]7CC[C@H](O)CCC[N@H+]7[C@H]45)C6)c3[nH]c21 ZINC000049708785 562671073 /nfs/dbraw/zinc/67/10/73/562671073.db2.gz FWKMZPGKUSOYOX-VBIQYIBKSA-N 2 0 582.789 5.756 1 0 KKAFRP CCOc1ccccc1CC[NH2+][C@@H](C)Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1 ZINC000049710024 562671534 /nfs/dbraw/zinc/67/15/34/562671534.db2.gz YBYBHEJTYRHGER-IZLXSDGUSA-N 2 0 598.231 7.518 1 0 KKAFRP FC(F)(F)COc1ccc2ccccc2c1CC[NH2+]CCCC[NH2+]CCc1c(OCC(F)(F)F)ccc2ccccc21 ZINC000049710848 562671891 /nfs/dbraw/zinc/67/18/91/562671891.db2.gz GLQWLDRRBPHAOF-UHFFFAOYSA-N 2 0 592.624 7.620 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711035 562671941 /nfs/dbraw/zinc/67/19/41/562671941.db2.gz NKILNBZJPOZQEA-KPURRNSFSA-N 2 0 595.628 6.179 1 0 KKAFRP Cc1ccc(C)c(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@H](CC(=O)c2cc(C)ccc2C)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)c1 ZINC000049746155 562674292 /nfs/dbraw/zinc/67/42/92/562674292.db2.gz UTCQLOUOUVXDCL-XRSDMRJBSA-N 2 0 702.940 8.300 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCCC3)ccc2-c2c1c1cc(OCC[NH+]3CCCCC3)ccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000049757160 562675624 /nfs/dbraw/zinc/67/56/24/562675624.db2.gz SCHJVKBYTKNNOI-UHFFFAOYSA-N 3 0 688.913 7.707 1 0 KKAFRP C[NH+](C)CCCOc1ccc(-c2nc3ccc(OCCC[NH+](C)C)cc3c3c2-c2ccc(OCCC[NH+](C)C)cc2C3=O)cc1 ZINC000049757162 562675628 /nfs/dbraw/zinc/67/56/28/562675628.db2.gz OLMUFIMVCTWNJM-UHFFFAOYSA-N 3 0 610.799 6.105 1 0 KKAFRP O[C@@]12C=C([C@H]3[NH2+]CCc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000049757257 562675779 /nfs/dbraw/zinc/67/57/79/562675779.db2.gz XKUVHUCZHJQMJW-RCOWMPSOSA-N 3 0 552.807 6.037 1 0 KKAFRP COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049762355 562676529 /nfs/dbraw/zinc/67/65/29/562676529.db2.gz XEUBLCSMUGHTPV-RRPNLBNLSA-N 2 0 584.204 7.128 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)Cc2ccc3c(c2)OCO3)CC1 ZINC000049777466 562680108 /nfs/dbraw/zinc/68/01/08/562680108.db2.gz JFEZZDJZJIJCAB-UHFFFAOYSA-N 2 0 654.833 5.084 1 0 KKAFRP S=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000049777656 562680388 /nfs/dbraw/zinc/68/03/88/562680388.db2.gz CJCVKTXJOHVYGH-UHFFFAOYSA-N 2 0 681.032 6.318 1 0 KKAFRP CCC[NH+](CCC)CCCOc1ccc(C(=O)c2c3cc(Cl)ccc3oc2-c2ccc(OCCC[NH+](CCC)CCC)cc2)cc1 ZINC000049777852 562680591 /nfs/dbraw/zinc/68/05/91/562680591.db2.gz DZTBMLXMRFDRCT-UHFFFAOYSA-N 2 0 647.300 9.766 1 0 KKAFRP CCn1cc(-c2ccnc3[nH]c(C[NH2+]CCCN4CC[NH+](C)CC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784107 562683429 /nfs/dbraw/zinc/68/34/29/562683429.db2.gz RDIZFHYTFVBBCX-UHFFFAOYSA-N 2 0 591.764 5.484 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH2+]Cc4ccccc4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049793920 562685278 /nfs/dbraw/zinc/68/52/78/562685278.db2.gz PSWIIHWHAUAYDL-UHFFFAOYSA-N 2 0 718.912 5.245 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](C/C=C/C[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000049833494 562687833 /nfs/dbraw/zinc/68/78/33/562687833.db2.gz BGZWMDBRYUGTKF-OWOJBTEDSA-N 2 0 726.872 9.047 1 0 in-vitro KKAFRP OCC[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000049888998 562691704 /nfs/dbraw/zinc/69/17/04/562691704.db2.gz NYCDMZJSIBQLQE-UHFFFAOYSA-N 3 0 551.779 6.529 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4cccc(NC(=O)CC[NH+]5CCCC5)c4)c3)c2)c1 ZINC000049889252 562691927 /nfs/dbraw/zinc/69/19/27/562691927.db2.gz GHUUZWVVEIAJDG-UHFFFAOYSA-N 2 0 730.870 6.684 1 0 KKAFRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000049898894 562692962 /nfs/dbraw/zinc/69/29/62/562692962.db2.gz CVUXIABNRCIXRF-UHFFFAOYSA-N 2 0 693.849 7.048 1 0 KKAFRP [NH3+]CCc1c2cc(O)c([C@H](C[NH3+])c3c[nH]c4cc(Br)ccc43)cc2[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049902778 562693379 /nfs/dbraw/zinc/69/33/79/562693379.db2.gz CYAJKOUHPRYFRD-XZOQPEGZSA-N 3 0 650.419 6.044 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]Cc4cccnc4)cn3)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000049917610 562693623 /nfs/dbraw/zinc/69/36/23/562693623.db2.gz WVERAKKXMFPYPM-UHFFFAOYSA-N 2 0 685.844 7.237 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917697 562693788 /nfs/dbraw/zinc/69/37/88/562693788.db2.gz CVACZFYQVUKCCT-KPURRNSFSA-N 2 0 562.076 5.814 1 0 KKAFRP CCCC[NH2+]Cc1ccc(OCc2cccc(COc3ccc(C[NH2+]CCCC)cc3I)c2)c(I)c1 ZINC000049917961 562694170 /nfs/dbraw/zinc/69/41/70/562694170.db2.gz SRAFFUIKNUQRHM-UHFFFAOYSA-N 2 0 712.454 7.833 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942250 562695392 /nfs/dbraw/zinc/69/53/92/562695392.db2.gz ZHNVEXZKXNWTHM-OPPLUPLLSA-N 3 0 725.911 7.980 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(C[NH+](C)C)c3)C[C@@H]2C1)C(C)C ZINC000064426375 562705104 /nfs/dbraw/zinc/70/51/04/562705104.db2.gz QKJDKBZVKIQWDC-YRHDVGGASA-N 2 0 543.171 7.004 1 0 KKAFRP OCC1([NH+]2CCC(n3c4ccccc4nc3N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)CC2)CCCCCCC1 ZINC000066112463 562712025 /nfs/dbraw/zinc/71/20/25/562712025.db2.gz ISIVFOIKEDCWTH-ISILISOKSA-N 2 0 541.784 5.717 1 0 KKAFRP CC[C@@H](C)[C@@H]1CN([C@@H](C)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCCC1CCCC1 ZINC000066148839 562713685 /nfs/dbraw/zinc/71/36/85/562713685.db2.gz BWQQKSJTJZNDTB-MULFSZDLSA-N 3 0 549.852 5.018 3 0 KKAFRP CC(C)[C@@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000066148909 562713708 /nfs/dbraw/zinc/71/37/08/562713708.db2.gz NVQAIBRWJYMLSY-KABOGAJBSA-N 3 0 598.667 5.207 3 0 KKAFRP COc1cc(C[NH2+]CCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc2c1OCO2 ZINC000066258927 562715113 /nfs/dbraw/zinc/71/51/13/562715113.db2.gz NBVKFAXCFTTWGC-UHFFFAOYSA-N 2 0 503.687 6.783 1 0 KKAFRP [NH3+]CCC(=O)Nc1ccc(C(F)(F)F)cc1-c1ccc(-c2cc(C(F)(F)F)ccc2NC(=O)CC[NH3+])nc1 ZINC000071295992 562717406 /nfs/dbraw/zinc/71/74/06/562717406.db2.gz LXKAHNRLMQXOFC-UHFFFAOYSA-N 2 0 539.480 5.028 1 0 KKAFRP Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(C[NH2+]CCCCCC[NH3+])cc3)ccc2[nH+]1 ZINC000071315966 562717801 /nfs/dbraw/zinc/71/78/01/562717801.db2.gz QAGXUEMUOSEVRU-UHFFFAOYSA-N 3 0 511.670 5.565 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[N@H+](Cc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071318853 562718629 /nfs/dbraw/zinc/71/86/29/562718629.db2.gz QYAXGGUCDQSHIT-YTTGMZPUSA-N 2 0 613.246 7.513 1 0 KKAFRP O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc1cc2 ZINC000072104737 562720597 /nfs/dbraw/zinc/72/05/97/562720597.db2.gz YABTZEYBFKMYSH-UHFFFAOYSA-N 2 0 634.805 6.538 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCCN(c3ccccc3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116194 562723019 /nfs/dbraw/zinc/72/30/19/562723019.db2.gz OGFPSLBZTDPHOJ-UHFFFAOYSA-N 2 0 601.840 5.505 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCCC1)nc(C1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072116885 562723235 /nfs/dbraw/zinc/72/32/35/562723235.db2.gz BEVLYTXQQMBLNS-UHFFFAOYSA-N 2 0 523.766 6.226 1 0 KKAFRP O=C(CC[NH2+]CCNc1c2c([nH+]c3ccccc31)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072119612 562723843 /nfs/dbraw/zinc/72/38/43/562723843.db2.gz UKYNTSAWGXWBFQ-UHFFFAOYSA-N 2 0 527.628 5.513 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CC/C=C\CCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072180991 562732618 /nfs/dbraw/zinc/73/26/18/562732618.db2.gz OCXIJFDBIACUFL-WAYWQWQTSA-N 2 0 712.844 6.156 1 0 KKAFRP Cc1c(OCCC[NH+](C)C)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OCCC[NH+](C)C)c(C)c4oc3=O)c(=O)oc21 ZINC000072183013 562732890 /nfs/dbraw/zinc/73/28/90/562732890.db2.gz PUQRNPZQZHSKJV-BQYQJAHWSA-N 2 0 660.768 5.091 1 0 KKAFRP COc1cc(C[NH2+]CCCCCCCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000073198706 562735823 /nfs/dbraw/zinc/73/58/23/562735823.db2.gz RLJWOSLZBOWENU-UHFFFAOYSA-N 2 0 596.812 8.082 1 0 KKAFRP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C2)CC[NH+]1C ZINC000073258750 562737080 /nfs/dbraw/zinc/73/70/80/562737080.db2.gz ODCYIKWOTVSPKB-XZWHSSHBSA-N 2 0 622.762 6.743 1 0 KKAFRP COc1ccc(OCCC[C@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[N@@H+]2CCC[C@@H]2C)cc1 ZINC000082158342 562741078 /nfs/dbraw/zinc/74/10/78/562741078.db2.gz DXSIMOWQSIWUHR-NDOVKIIASA-N 2 0 512.738 7.733 1 0 KKAFRP CC[NH+](CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CC[NH+](C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c1 ZINC000084652350 562746488 /nfs/dbraw/zinc/74/64/88/562746488.db2.gz QTGGPQXZCLZMSN-VQNDASPWSA-N 2 0 728.820 6.346 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccncc2)CCc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084668631 562747698 /nfs/dbraw/zinc/74/76/98/562747698.db2.gz RXJAIGOAJAFHPC-HTOJEEBVSA-N 2 0 687.864 5.900 1 0 KKAFRP C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)Cc2ccncc2)cc1)c1cccc2ccccc21 ZINC000084758350 562752615 /nfs/dbraw/zinc/75/26/15/562752615.db2.gz SCMATUJWEBPXBQ-AIJWEMPKSA-N 2 0 673.837 5.858 1 0 KKAFRP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])N7CCC([NH+]8CCCC8)CC7)ccc6[nH]5)cc4)cc3)nc2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000095543680 562757417 /nfs/dbraw/zinc/75/74/17/562757417.db2.gz HDGQAVLSNAUNTK-UHFFFAOYSA-N 4 0 760.991 8.337 1 0 KKAFRP CCC[NH+](CCCCCCCCC[N@@H+](CCC)[C@H]1CCc2c(O)cccc2C1)[C@H]1CCc2c(O)cccc2C1 ZINC000095559929 562762923 /nfs/dbraw/zinc/76/29/23/562762923.db2.gz FAUOEZQOXBUMAX-CONSDPRKSA-N 2 0 534.829 7.667 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579197 562771450 /nfs/dbraw/zinc/77/14/50/562771450.db2.gz IFLLDHWKZPSVMJ-JTUQKUIRSA-N 2 0 548.812 6.510 1 0 KKAFRP C[NH+](CCCN1c2ccccc2CCc2ccccc21)CCOCCOCCOCC[N@H+](C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095588264 562774599 /nfs/dbraw/zinc/77/45/99/562774599.db2.gz JBXPRLQSRAEESY-UHFFFAOYSA-N 2 0 690.973 7.554 1 0 KKAFRP [NH2+]=C(NCCCN(CCCCN(CCCNC(=[NH2+])Nc1ccccc1)C(=[NH2+])Nc1ccccc1)C(=[NH2+])Nc1ccccc1)Nc1ccccc1 ZINC000095605524 562781619 /nfs/dbraw/zinc/78/16/19/562781619.db2.gz UXUKCVPKCWDLKG-UHFFFAOYSA-N 4 0 674.902 6.517 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096900473 562796900 /nfs/dbraw/zinc/79/69/00/562796900.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 2 0 747.288 9.026 1 0 KKAFRP C[NH+](C)CCCNc1nc(-c2ccccc2NC(=O)c2ccc(NC(=O)CC[NH+]3CCCC3)cc2)nc2ccccc21 ZINC000096908886 562799470 /nfs/dbraw/zinc/79/94/70/562799470.db2.gz HBEXVTCVCOYJBM-UHFFFAOYSA-N 2 0 565.722 5.337 1 0 KKAFRP O=c1[nH]c2ccccc2n2c(-c3ccc[n+](CCCC[n+]4cccc(-c5nc(-c6ccccc6)c6c(=O)[nH]c7ccccc7n56)c4)c3)nc(-c3ccccc3)c12 ZINC000096911161 562800168 /nfs/dbraw/zinc/80/01/68/562800168.db2.gz UGAJFFDABKXRLS-UHFFFAOYSA-P 2 0 732.848 8.213 1 0 KKAFRP O=c1oc2cc(OCC[NH+]3CCCCC3)ccc2c(-c2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccccc1 ZINC000096922048 562801645 /nfs/dbraw/zinc/80/16/45/562801645.db2.gz VPPZAHIEDUQUGM-UHFFFAOYSA-N 2 0 552.715 6.856 1 0 KKAFRP C[C@H](c1ccccc1)[NH+]1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](C)c3ccccc3)cc2)cc1 ZINC000096926973 562802475 /nfs/dbraw/zinc/80/24/75/562802475.db2.gz VLZNXMNXKJRQGR-FUKKJWEXSA-N 2 0 612.818 8.185 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2ccc3ccc(-c4cc(OCCC[NH3+])cc(OCCC[NH3+])c4)cc3c2)c1 ZINC000096933248 562803584 /nfs/dbraw/zinc/80/35/84/562803584.db2.gz LVCRQTGUPKCWFS-UHFFFAOYSA-N 4 0 572.750 5.084 1 0 KKAFRP COc1ccc(CC(=O)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)Cc2ccc(OC)cc2)cc1 ZINC000096935033 562803992 /nfs/dbraw/zinc/80/39/92/562803992.db2.gz HUQOMVFXIMRFNL-UHFFFAOYSA-N 2 0 610.884 5.582 1 0 KKAFRP CN1CC[NH+](CCCNc2cccc(-n3cc(-c4ccc5ccc(-c6cn(-c7cccc(NCCC[NH+]8CCN(C)CC8)c7)nn6)cc5c4)nn3)c2)CC1 ZINC000096935080 562804005 /nfs/dbraw/zinc/80/40/05/562804005.db2.gz RVGIQDFRVNHCRE-UHFFFAOYSA-N 2 0 724.962 5.434 1 0 KKAFRP Cc1cc(N(C)C)c2cc(Nc3nc(Cl)nc(Nc4ccc5[nH+]c(C)cc(N(C)C)c5c4)n3)ccc2[nH+]1 ZINC000098083762 562805490 /nfs/dbraw/zinc/80/54/90/562805490.db2.gz FMYFIYZYVICNSE-UHFFFAOYSA-N 2 0 514.037 5.857 1 0 KKAFRP Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101445448 562810730 /nfs/dbraw/zinc/81/07/30/562810730.db2.gz WXERQXIYWWWCKN-PKQPGRETSA-N 2 0 507.682 6.950 1 0 KKAFRP C[N@@H+]1CCC[C@H]1CCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696129 562811747 /nfs/dbraw/zinc/81/17/47/562811747.db2.gz JKABQKSBPGSKAQ-QFIPXVFZSA-N 2 0 596.753 5.677 1 0 KKAFRP C/C=C1/C[N@@H+]2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CCN7C/C6=C/C)[C@@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000102160498 562812787 /nfs/dbraw/zinc/81/27/87/562812787.db2.gz PYNCAWTWBZEHSV-SWDFVQBTSA-N 2 0 570.781 6.089 1 0 KKAFRP C[N@H+](CCCCN1CC[NH+](CCCCCCCCCOc2ccccc2)CC1)CCCc1ccccc1 ZINC000103184416 562815318 /nfs/dbraw/zinc/81/53/18/562815318.db2.gz FUSLGNYYXPZKPN-UHFFFAOYSA-N 2 0 507.807 6.759 1 0 KKAFRP Clc1ccccc1C(c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1C[NH+]1CCCCC1)C2 ZINC000103230673 562818256 /nfs/dbraw/zinc/81/82/56/562818256.db2.gz ZLGWYJASQNICIN-QEIWAGNOSA-N 2 0 520.548 7.874 1 0 KKAFRP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[NH2+]Cc3ccc4c(c3)CO[C@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21 ZINC000103245967 562819779 /nfs/dbraw/zinc/81/97/79/562819779.db2.gz IEHAMLTURQLYEH-XRSDMRJBSA-N 3 0 639.831 7.486 1 0 KKAFRP C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C[NH2+]Cc3ccc4c(c3)CO[C@@]4(CCC[NH+](C)C)c3ccc(F)cc3)ccc21 ZINC000103245963 562819825 /nfs/dbraw/zinc/81/98/25/562819825.db2.gz IEHAMLTURQLYEH-LQDDJWCHSA-N 3 0 639.831 7.486 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1 ZINC000103262570 562821638 /nfs/dbraw/zinc/82/16/38/562821638.db2.gz LWVRRIQNVQYVFP-UHFFFAOYSA-N 2 0 575.200 7.165 1 0 KKAFRP COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)C[NH+]3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118799868 562830702 /nfs/dbraw/zinc/83/07/02/562830702.db2.gz FOWSNFVTTAEKAG-AOXBRHMESA-N 2 0 590.208 6.944 1 0 KKAFRP C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CC[NH+](Cc5ccccc5)CC4)C3=O)c(F)c2)C1 ZINC000140621602 562833247 /nfs/dbraw/zinc/83/32/47/562833247.db2.gz PMVGIMUYHZHQJC-IGKIAQTJSA-N 2 0 504.694 5.298 1 0 KKAFRP COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[NH+](CC5CC[NH+](C)CC5)CC4)nc32)c1 ZINC000148287604 562840870 /nfs/dbraw/zinc/84/08/70/562840870.db2.gz ZDPYMUPVLRXCNI-UHFFFAOYSA-N 2 0 637.833 5.494 1 0 KKAFRP O=C(Nc1cccc(C2=[NH+]CCCN2)c1)c1ccc(-c2ccc(C(=O)Nc3cccc(C4=[NH+]CCCN4)c3)cc2)cc1 ZINC000148723268 562841663 /nfs/dbraw/zinc/84/16/63/562841663.db2.gz FIDDBSXGDWEBNT-UHFFFAOYSA-N 2 0 556.670 5.338 1 0 in-vitro KKAFRP CCc1cc(COc2ccc(C[NH2+]CCC(C)C)cc2I)c(OCc2ccccc2)c(COc2ccc(C[NH2+]CCC(C)C)cc2I)c1 ZINC000150555960 562844760 /nfs/dbraw/zinc/84/47/60/562844760.db2.gz UHENXTCUDLRZIG-UHFFFAOYSA-N 2 0 874.686 10.467 1 0 KKAFRP O=C1[O+]=NN(c2ccc(Cc3ccc(N4N=[O+]C(=O)C4CN4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cc2)C1CN1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000150582501 562845563 /nfs/dbraw/zinc/84/55/63/562845563.db2.gz RKSXRTLYUFNQNX-UHFFFAOYSA-P 2 0 824.597 6.476 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599141 562846946 /nfs/dbraw/zinc/84/69/46/562846946.db2.gz QSPIBHHBZOXRSN-LQJZCPKCSA-N 2 0 720.587 8.237 1 0 KKAFRP Cn1c2ccc(Oc3ccnc(NC(=O)C4CC[NH+](C)CC4)c3)cc2[nH+]c1Nc1cccc(C(C)(C)C)c1 ZINC000167785853 562851056 /nfs/dbraw/zinc/85/10/56/562851056.db2.gz UFZLFECVKGGBOA-UHFFFAOYSA-N 2 0 512.658 6.082 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)CCc1c3cccc(Br)c3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3CC=C[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169294824 562852284 /nfs/dbraw/zinc/85/22/84/562852284.db2.gz GXGZGUQURJJKLJ-AGJHSZMPSA-N 2 0 871.870 5.559 1 0 KKAFRP C[NH+](C)CCCn1c(=O)c(CCCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ccccc21 ZINC000169319136 562856187 /nfs/dbraw/zinc/85/61/87/562856187.db2.gz OWRPCOONNYMSMY-MHZLTWQESA-N 2 0 525.137 5.210 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1O ZINC000169321632 562856688 /nfs/dbraw/zinc/85/66/88/562856688.db2.gz VVZDAMSHHUSQQC-DHUJRADRSA-N 2 0 682.884 6.203 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(F)cc(F)c3O)CC2)ccc1O ZINC000169321646 562856730 /nfs/dbraw/zinc/85/67/30/562856730.db2.gz SKTXVMKLBITPKW-UMSFTDKQSA-N 2 0 718.864 6.481 1 0 KKAFRP CN(C(=O)[C@@H](CCC[NH+]1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC[NH3+] ZINC000169331970 562859072 /nfs/dbraw/zinc/85/90/72/562859072.db2.gz ZLJIJVTVACSNTN-UCGGBYDDSA-N 2 0 698.667 5.719 1 0 KKAFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5ccc(-c6ccc(-c7ccc[n+](C)c7)cc6)cc5)cc4)cc3)cc2)c1 ZINC000169333076 562859246 /nfs/dbraw/zinc/85/92/46/562859246.db2.gz MSUIZBHMCMSFPY-UHFFFAOYSA-P 2 0 695.823 8.094 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)c(N)c4)cc3)cc2N)c1 ZINC000169334073 562859421 /nfs/dbraw/zinc/85/94/21/562859421.db2.gz ARWINMHBXUJGBY-UHFFFAOYSA-P 2 0 672.790 5.255 1 0 KKAFRP CN1C(=O)OC2(CC[NH+](CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC[NH+](C)C)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169348417 562862267 /nfs/dbraw/zinc/86/22/67/562862267.db2.gz XMPTXHOOQJHYLU-WECIHKQLSA-N 2 0 726.721 6.153 1 0 KKAFRP C[C@@H](Cc1ccc(NC(=O)CCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000169687403 562865141 /nfs/dbraw/zinc/86/51/41/562865141.db2.gz PGYKQRWVVBAZQY-BMWXWXOGSA-N 2 0 802.973 6.435 1 0 KKAFRP C[NH+]1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448900 562871916 /nfs/dbraw/zinc/87/19/16/562871916.db2.gz OJKVDKLFJYQQNR-UZBSQRRVSA-N 2 0 515.742 5.142 1 0 KKAFRP O=C1N(C[C@@H](O)C[NH2+]Cc2cccs2)CN(c2ccccc2)C12CC[NH+](CCc1ccccc1-c1cccs1)CC2 ZINC000299858936 562892576 /nfs/dbraw/zinc/89/25/76/562892576.db2.gz FGDSEXAUHUQZAZ-NDEPHWFRSA-N 2 0 586.827 5.311 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc43)N(CCc3ccc(-c4ccccc4)cc3)C2=[NH2+])N1CCC12CC3CC(CC(C3)C1)C2 ZINC000299860663 562893003 /nfs/dbraw/zinc/89/30/03/562893003.db2.gz JNZYMGZLKMJKEP-WIAYGZPZSA-N 2 0 707.023 9.198 1 0 KKAFRP COc1cc(N(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(Cl)cc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299861069 562893128 /nfs/dbraw/zinc/89/31/28/562893128.db2.gz HRBOQLGXZJCUQY-BHVANESWSA-N 2 0 754.284 6.864 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299863848 562893938 /nfs/dbraw/zinc/89/39/38/562893938.db2.gz LRIVUPRHLMQOGF-OJWOXQGASA-N 2 0 606.166 6.980 1 0 KKAFRP CCCC[N@@H+](Cc1ccccc1)C[C@H](O)CN1CN(c2ccccc2)C2(CC[NH+](CCc3ccccc3-c3cccs3)CC2)C1=O ZINC000299869699 562895344 /nfs/dbraw/zinc/89/53/44/562895344.db2.gz VFAQYCMSJSCDCB-DHUJRADRSA-N 2 0 636.906 6.762 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(-c3ccc(-c4ccc(Cn5ccc(=[NH2+])c6ccccc65)cc4)cc3)cc2)c2ccccc12 ZINC000377825246 562896197 /nfs/dbraw/zinc/89/61/97/562896197.db2.gz RMXKRNNWEVUXHF-UHFFFAOYSA-N 2 0 542.686 7.986 1 0 KKAFRP Clc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(Cl)cc13 ZINC000377845674 562896310 /nfs/dbraw/zinc/89/63/10/562896310.db2.gz RCIGRESGUBUDCS-UHFFFAOYSA-N 2 0 561.516 8.353 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)CCCCCC(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)cc2)cc1 ZINC000377848845 562896380 /nfs/dbraw/zinc/89/63/80/562896380.db2.gz LGAPKECOCUVWDT-UHFFFAOYSA-O 2 0 551.715 6.319 1 0 KKAFRP CCCC[C@@H]1C[C@@](CC[N@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)COC)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473085837 562896972 /nfs/dbraw/zinc/89/69/72/562896972.db2.gz YRBFVPQLCITKOD-JQTYSHOSSA-N 2 0 551.747 7.002 1 0 KKAFRP COc1cccc2cc(C[NH+](CCCCCCNc3c4ccccc4[nH+]c4c3CCCCC4)Cc3cc4cccc(OC)c4o3)oc21 ZINC000653764355 562911530 /nfs/dbraw/zinc/91/15/30/562911530.db2.gz LIIAZSOASJOPIC-UHFFFAOYSA-N 2 0 631.817 9.110 1 0 KKAFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000070454270 565119443 /nfs/dbraw/zinc/11/94/43/565119443.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 2 0 608.735 6.859 1 0 biogenic,in-vitro KKAFRP C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(C[NH2+][C@H](C)c2cccc(CO)c2)cc1O ZINC000085568400 565143606 /nfs/dbraw/zinc/14/36/06/565143606.db2.gz FBQHCRHOEPNEAL-HMLVBYEVSA-N 2 0 668.787 5.594 1 0 biogenic,in-vitro KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH2+]CC3 ZINC000085949227 565171048 /nfs/dbraw/zinc/17/10/48/565171048.db2.gz BIQLCSCFEQRHME-FQLXRVMXSA-N 2 0 608.735 6.820 1 0 biogenic,in-vitro KKAFRP C/C=C1\[C@@H]2C=C(C)C[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000014947337 581091849 /nfs/dbraw/zinc/09/18/49/581091849.db2.gz GXLCMIZDIFTAHJ-SAJNOJEFSA-N 2 0 529.769 7.300 1 0 KKAFRP CC[NH2+]C1(Oc2cc(OCC[NH2+]C)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567484 291939962 /nfs/dbraw/zinc/93/99/62/291939962.db2.gz UHFIIEHOZLIRJE-BUEDQJMWSA-N 2 0 661.796 5.048 1 0 biogenic,in-vitro KKAFRP Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000003828202 561683407 /nfs/dbraw/zinc/68/34/07/561683407.db2.gz LQJLTYMDYCZNNA-UHFFFAOYSA-N 2 0 523.165 6.945 1 0 KKAFRP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OCCC[NH+](CC)CC)cc2)cc1 ZINC000003935643 561688335 /nfs/dbraw/zinc/68/83/35/561688335.db2.gz VZCQCONTEBWWMW-BUHFOSPRSA-N 2 0 698.956 9.198 1 0 KKAFRP O=C(NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CC[NH2+]CC1 ZINC000003952780 561690664 /nfs/dbraw/zinc/69/06/64/561690664.db2.gz FKNYYGISCULARV-UHFFFAOYSA-N 2 0 575.197 5.441 1 0 KKAFRP C[C@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(CCCC4CC[NH+](Cc5ccc(C6=[NH+]C[C@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006041084 561702243 /nfs/dbraw/zinc/70/22/43/561702243.db2.gz RISDPOWMGNIBSU-SVBPBHIXSA-N 4 0 554.827 5.458 1 0 KKAFRP C[NH+](C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(C[NH+](C)C)o4)cc3)cc2)o1 ZINC000013452618 561713502 /nfs/dbraw/zinc/71/35/02/561713502.db2.gz RVVWDYHZWLAHCI-UHFFFAOYSA-N 2 0 520.764 7.530 1 0 KKAFRP CC(=O)N(CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000013492740 561716384 /nfs/dbraw/zinc/71/63/84/561716384.db2.gz ASJWTFGEQQPABS-UHFFFAOYSA-N 2 0 535.736 6.693 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCC[C@H]3CCC[NH2+]C3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780313 561729048 /nfs/dbraw/zinc/72/90/48/561729048.db2.gz ZJNOPNNJFLEQBQ-DHIUTWEWSA-N 2 0 511.110 5.817 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@@H]3CCC[NH2+]C3)n2CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000013780314 561729051 /nfs/dbraw/zinc/72/90/51/561729051.db2.gz KWGDURXIKWPRNZ-ZEQRLZLVSA-N 2 0 525.137 6.207 1 0 KKAFRP [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CC[NH+](C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000014164621 561737170 /nfs/dbraw/zinc/73/71/70/561737170.db2.gz AAPRNHKWNGDTOT-ZUDMZWCVSA-N 2 0 584.805 5.986 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2c3ccc(Cl)cc3[nH+]c3c2CCCC3)CCCC1 ZINC000014946311 561743467 /nfs/dbraw/zinc/74/34/67/561743467.db2.gz VPKBEAWMABSKGC-UHFFFAOYSA-N 2 0 575.628 9.712 1 0 KKAFRP COc1cc2c(cc1OC)C(=O)[C@@H](C[NH2+]CCCCCCCNc1c3ccccc3[nH+]c3c1CCCC3)C2 ZINC000014946315 561743483 /nfs/dbraw/zinc/74/34/83/561743483.db2.gz LSAKEKKNQBBHNE-HSZRJFAPSA-N 2 0 515.698 6.138 1 0 KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947310 561744797 /nfs/dbraw/zinc/74/47/97/561744797.db2.gz DBUWWODVSCMGDY-IZZNHLLZSA-N 2 0 579.232 9.786 1 0 KKAFRP COc1cc(Cc2c3ccc(NS(C)(=O)=O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000025971129 561763238 /nfs/dbraw/zinc/76/32/38/561763238.db2.gz ZHQIZDZSJKYJJW-UHFFFAOYSA-N 2 0 619.853 6.610 1 0 KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(N[C@@H](C)CCC[NH+](CC)CC)ccnc34)cccc12 ZINC000026170763 561769916 /nfs/dbraw/zinc/76/99/16/561769916.db2.gz XRKABRYLYFWQDP-HNRBIFIRSA-N 2 0 654.904 7.205 1 0 KKAFRP CC[NH+](CC)CCCCCCCCCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026267789 561776689 /nfs/dbraw/zinc/77/66/89/561776689.db2.gz WKLJQNIJCVEGNC-UHFFFAOYSA-N 2 0 548.776 5.392 1 0 KKAFRP COc1cc(Cn2c(-c3ccc(OCC[NH+]4CCCC4)cc3)cc3c[nH+]ccc32)ccc1C[NH+]1CCCC1 ZINC000026468927 561790101 /nfs/dbraw/zinc/79/01/01/561790101.db2.gz FDKTZABKFYWJQJ-UHFFFAOYSA-N 3 0 510.682 5.831 1 0 KKAFRP c1ccc(CCC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH+](CCCc2ccccc2)CCCc2ccccc2)cc1 ZINC000026505500 561796546 /nfs/dbraw/zinc/79/65/46/561796546.db2.gz ZMJHVRZVOPXOPA-UHFFFAOYSA-N 4 0 556.883 6.516 1 0 KKAFRP CCc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026506594 561796673 /nfs/dbraw/zinc/79/66/73/561796673.db2.gz FQSMKRMWAYZNPI-UHFFFAOYSA-N 2 0 554.800 7.671 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)oc(=O)n3CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026577113 561800951 /nfs/dbraw/zinc/80/09/51/561800951.db2.gz SMKCWLRQAIMCBO-UHFFFAOYSA-N 2 0 614.762 5.482 1 0 KKAFRP CC[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CC)ccc1-2 ZINC000026580194 561805585 /nfs/dbraw/zinc/80/55/85/561805585.db2.gz AJLJWJGSCGGSNQ-UIOOFZCWSA-N 2 0 544.740 6.084 1 0 KKAFRP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739806 561817877 /nfs/dbraw/zinc/81/78/77/561817877.db2.gz VPAVMJLWTAZZAC-TYHGNQNSSA-N 2 0 594.844 6.208 1 0 KKAFRP O[C@@H](C[NH2+]CCCCCC[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000027089627 561837061 /nfs/dbraw/zinc/83/70/61/561837061.db2.gz BURGJUYFBCVNFV-DITALETJSA-N 2 0 594.718 7.548 1 0 KKAFRP CC[C@H](COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCCC1 ZINC000027197176 561844494 /nfs/dbraw/zinc/84/44/94/561844494.db2.gz SGUDHSPXDRJFAN-GDLZYMKVSA-N 2 0 554.800 7.887 1 0 KKAFRP CC[NH+](CC)CCC[C@H](C)Nc1nc2cc3nc(N[C@@H](C)CCC[NH+](CC)CC)sc3cc2s1 ZINC000027187727 561842918 /nfs/dbraw/zinc/84/29/18/561842918.db2.gz MWIWYLDDMXUERN-PMACEKPBSA-N 2 0 504.814 6.751 1 0 KKAFRP C[C@@H](COc1ccc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)cc1)[NH+]1CCCC1 ZINC000027189544 561843277 /nfs/dbraw/zinc/84/32/77/561843277.db2.gz PWJHAOSBIAVUPS-SANMLTNESA-N 2 0 540.773 7.497 1 0 KKAFRP Clc1ccc(OCc2c(CN3CCC([NH+]4CCCCC4)CC3)c3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000027193094 561843849 /nfs/dbraw/zinc/84/38/49/561843849.db2.gz RZOMPVHKLSITDV-UHFFFAOYSA-N 2 0 549.203 6.810 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000027203292 561845499 /nfs/dbraw/zinc/84/54/99/561845499.db2.gz WDMPYSPWUIKOII-VSJLXWSYSA-N 2 0 580.838 8.420 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2)C1C(=O)OC ZINC000027209303 561846691 /nfs/dbraw/zinc/84/66/91/561846691.db2.gz KPMCWTJACSWVKC-GTPRLXIXSA-N 2 0 610.155 5.485 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(C)cc4)CC3)c2)C1C(=O)OC ZINC000027216727 561848502 /nfs/dbraw/zinc/84/85/02/561848502.db2.gz SMJLNIGKMMYLNJ-ONLUTYIHSA-N 2 0 589.737 5.140 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421267 561857622 /nfs/dbraw/zinc/85/76/22/561857622.db2.gz IMWCKHQQVPILQC-YUHHKXEKSA-N 2 0 679.906 6.213 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027420740 561857671 /nfs/dbraw/zinc/85/76/71/561857671.db2.gz XTJMLCAUNHFIRS-YJEMJTFBSA-N 2 0 653.868 5.777 1 0 KKAFRP CC[NH+](CC)CCCCOC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)OCCCC[NH+](CC)CC)ccc1-2 ZINC000027524069 561865461 /nfs/dbraw/zinc/86/54/61/561865461.db2.gz VOGWVRKFFWMNFA-UHFFFAOYSA-N 2 0 522.686 5.456 1 0 KKAFRP C[NH+](C)Cc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC([NH+](C)C)CC1 ZINC000027526487 561866329 /nfs/dbraw/zinc/86/63/29/561866329.db2.gz XHDNGRRICXKPOW-UHFFFAOYSA-N 2 0 530.576 5.873 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1F ZINC000027547125 561867075 /nfs/dbraw/zinc/86/70/75/561867075.db2.gz ZOBKHHUMXIJHCW-GDLZYMKVSA-N 2 0 567.677 5.564 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027548595 561867518 /nfs/dbraw/zinc/86/75/18/561867518.db2.gz QMEPUSMYDLGAOV-UMSFTDKQSA-N 2 0 585.739 7.439 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000027640583 561875254 /nfs/dbraw/zinc/87/52/54/561875254.db2.gz KVRFIHQTZUHYQK-UHFFFAOYSA-N 2 0 542.171 6.400 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000027730690 561881323 /nfs/dbraw/zinc/88/13/23/561881323.db2.gz FYLSKHBRDSYFTL-UHFFFAOYSA-N 2 0 542.814 7.822 1 0 KKAFRP c1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(OCCCC[NH+]2CCCC2)cc1 ZINC000027737857 561882168 /nfs/dbraw/zinc/88/21/68/561882168.db2.gz GFMAICOXNAYDRC-UHFFFAOYSA-N 2 0 554.800 7.889 1 0 KKAFRP CC[N@@H+]1CC[C@H](Oc2ccc(Cc3c4ccccc4sc3-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)C1 ZINC000027861011 561887133 /nfs/dbraw/zinc/88/71/33/561887133.db2.gz PVLWRZWADLWWLL-LJAQVGFWSA-N 2 0 526.746 7.107 1 0 KKAFRP Oc1cccc2sc(-c3ccc(OCC[NH+]4CCCC4)cc3)c(Cc3ccc(O[C@@H]4CCCC[C@H]4[NH+]4CCCCC4)cc3)c21 ZINC000027869256 561888053 /nfs/dbraw/zinc/88/80/53/561888053.db2.gz JWIYEKDRVKQPAC-VLZNPVHKSA-N 2 0 610.864 8.515 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCC2)c(Br)c1 ZINC000027875554 561888470 /nfs/dbraw/zinc/88/84/70/561888470.db2.gz KOQKOEDSSZVVLX-VLZNPVHKSA-N 2 0 675.733 8.888 1 0 KKAFRP COc1cc(Cc2c3ccc(N)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028224322 561907642 /nfs/dbraw/zinc/90/76/42/561907642.db2.gz VDWKYJUDZXLNOR-UHFFFAOYSA-N 2 0 541.761 6.820 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249838 561910858 /nfs/dbraw/zinc/91/08/58/561910858.db2.gz VSRNINGYFSXXGJ-VSGBNLITSA-N 2 0 592.788 6.159 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@@H]([NH2+]CCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028249893 561910875 /nfs/dbraw/zinc/91/08/75/561910875.db2.gz COSYVLIRDFEWDN-CLJLJLNGSA-N 2 0 564.734 5.378 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCC[NH2+][C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252326 561911155 /nfs/dbraw/zinc/91/11/55/561911155.db2.gz FXKBWZCJAKRZGY-MKPDMIMOSA-N 2 0 578.761 5.769 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000028468046 561926456 /nfs/dbraw/zinc/92/64/56/561926456.db2.gz POSNNZQZGCCFGA-OIDHKYIRSA-N 2 0 531.744 6.380 1 0 KKAFRP O=C1c2cc(OCCC3CC[NH+](Cc4ccc(C5=[NH+]CCN5)cc4)CC3)ccc2CCCN1Cc1ccccc1 ZINC000028394256 561922794 /nfs/dbraw/zinc/92/27/94/561922794.db2.gz VQHZDSVMOMDHQQ-UHFFFAOYSA-N 2 0 536.720 5.306 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCOc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028394528 561922906 /nfs/dbraw/zinc/92/29/06/561922906.db2.gz MLIPTWZABJKBCW-UHFFFAOYSA-N 2 0 527.753 6.383 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccn3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028394522 561922910 /nfs/dbraw/zinc/92/29/10/561922910.db2.gz UHAIBZQSHMNPSP-UHFFFAOYSA-N 2 0 512.742 5.942 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028455591 561923592 /nfs/dbraw/zinc/92/35/92/561923592.db2.gz AWOAPOKTAFLQRU-JGCGQSQUSA-N 2 0 678.617 5.739 1 0 KKAFRP [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(C[NH2+]Cc3ccc(C(F)(F)F)cc3)CCCCC2)CC1 ZINC000028455891 561923666 /nfs/dbraw/zinc/92/36/66/561923666.db2.gz PEHMDIOACYXOTM-HHHXNRCGSA-N 2 0 642.594 5.025 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000028456698 561923924 /nfs/dbraw/zinc/92/39/24/561923924.db2.gz HEIZXAYTCCZGBU-UHFFFAOYSA-N 2 0 617.624 8.868 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000028464223 561925977 /nfs/dbraw/zinc/92/59/77/561925977.db2.gz JBEQUIPPOWOXEE-XTCLZLMSSA-N 2 0 553.772 6.050 1 0 KKAFRP Clc1ccc2c(N3CCCC3)cc[n+](Cc3cccc(-c4cccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)c4)c3)c2c1 ZINC000028473308 561927364 /nfs/dbraw/zinc/92/73/64/561927364.db2.gz DGMHYTWREDNSNE-UHFFFAOYSA-N 2 0 645.678 8.839 1 0 in-vivo KKAFRP CCC[C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522892 561929683 /nfs/dbraw/zinc/92/96/83/561929683.db2.gz KVXBESYMUJUSIW-UIOOFZCWSA-N 2 0 574.766 5.151 1 0 KKAFRP CC(C)(C)c1ccc(CC[NH2+]C[C@H](c2ccc(C(C)(C)C)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028522968 561929890 /nfs/dbraw/zinc/92/98/90/561929890.db2.gz HWYVOJAPSVGJAJ-JGCGQSQUSA-N 2 0 503.819 7.105 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccc(-c4ccccc4)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646324 561945112 /nfs/dbraw/zinc/94/51/12/561945112.db2.gz BYSSGQJAFRAXOS-UUWRZZSWSA-N 2 0 528.760 5.810 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3cc(F)ccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646341 561945119 /nfs/dbraw/zinc/94/51/19/561945119.db2.gz VEHVBAJFWBANGR-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646304 561945134 /nfs/dbraw/zinc/94/51/34/561945134.db2.gz UOUWWVWWIQEODA-UMSFTDKQSA-N 2 0 528.760 5.810 1 0 KKAFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000028604093 561940548 /nfs/dbraw/zinc/94/05/48/561940548.db2.gz UTKADJCRWBMFIM-UHFFFAOYSA-N 2 0 528.785 8.103 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646306 561945142 /nfs/dbraw/zinc/94/51/42/561945142.db2.gz UOUWWVWWIQEODA-UUWRZZSWSA-N 2 0 528.760 5.810 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646385 561945246 /nfs/dbraw/zinc/94/52/46/561945246.db2.gz FBBUWUQOOSRYPX-UMSFTDKQSA-N 2 0 563.205 6.464 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646418 561945267 /nfs/dbraw/zinc/94/52/67/561945267.db2.gz SHSTUQYXVMYBBE-UMSFTDKQSA-N 2 0 596.757 6.829 1 0 KKAFRP CC(C)[NH+]1CCC([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645916 561944653 /nfs/dbraw/zinc/94/46/53/561944653.db2.gz PSEZXKUUBYWUDL-PGUFJCEWSA-N 2 0 527.772 6.947 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](C[NH+]2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645967 561944756 /nfs/dbraw/zinc/94/47/56/561944756.db2.gz DHUKBDYVZDFTNL-UMSFTDKQSA-N 2 0 545.762 7.086 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646204 561944900 /nfs/dbraw/zinc/94/49/00/561944900.db2.gz NTBLOUVNUSNVNG-HKBQPEDESA-N 2 0 549.601 5.531 1 0 KKAFRP CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C[NH3+])c3)C[C@@H]2C1)C(C)C ZINC000028650137 561945918 /nfs/dbraw/zinc/94/59/18/561945918.db2.gz BLBIVZCHKCXNFE-ZLZBJJAKSA-N 2 0 515.117 6.401 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC(=O)N1CCC(C2CCN(C(=O)CCCCC[NH2+]Cc3ccccc3OC)CC2)CC1 ZINC000028713734 561954253 /nfs/dbraw/zinc/95/42/53/561954253.db2.gz ZOINGUARVBONKQ-UHFFFAOYSA-N 2 0 634.906 6.181 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714108 561954638 /nfs/dbraw/zinc/95/46/38/561954638.db2.gz PPEZHAIMPHDNBB-BSKOTCCJSA-N 2 0 632.909 7.435 1 0 KKAFRP COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH2+]C2CC[NH2+]CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822594 561967459 /nfs/dbraw/zinc/96/74/59/561967459.db2.gz DAQLGBCGVAJYAG-FNORWQNLSA-N 2 0 566.731 5.653 1 0 KKAFRP COc1ccccc1CCN(C(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000028823654 561968362 /nfs/dbraw/zinc/96/83/62/561968362.db2.gz DASUNKDHPZBVDL-IHLOFXLRSA-N 2 0 511.710 5.430 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C3CCC3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824181 561969325 /nfs/dbraw/zinc/96/93/25/561969325.db2.gz HPNQUCWDYHMLQX-WEWMWRJBSA-N 2 0 513.101 5.052 1 0 KKAFRP C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889989 561978222 /nfs/dbraw/zinc/97/82/22/561978222.db2.gz GTXLIDBURRGFMW-FFCVWOAGSA-N 2 0 563.117 6.402 1 0 KKAFRP O=C([C@H]1C[N@H+](C2CCCCC2)C[C@@H]1c1ccc(Cl)cc1)N1CCN(C2(C[NH2+]Cc3ccccc3)CCCCC2)CC1 ZINC000028953906 561982628 /nfs/dbraw/zinc/98/26/28/561982628.db2.gz PECFGJOOKPMVNA-SAIUNTKASA-N 2 0 577.257 6.325 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc5c(c4)OCO5)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954008 561982886 /nfs/dbraw/zinc/98/28/86/561982886.db2.gz IGVZVMCDMFAJPR-WDYNHAJCSA-N 2 0 581.201 5.129 1 0 KKAFRP CC[N@H+](Cc1ccc(OC)cc1)CC1(N2CCN(C(=O)[C@H]3C[NH+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954015 561982902 /nfs/dbraw/zinc/98/29/02/561982902.db2.gz CUGWDLKCQZFJAR-SAIUNTKASA-N 2 0 595.272 6.142 1 0 KKAFRP CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000028970279 561985833 /nfs/dbraw/zinc/98/58/33/561985833.db2.gz ZLWVVMJBQYSYBP-DUOUGCOTSA-N 2 0 662.919 7.627 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(Cl)ccc1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029040999 561990892 /nfs/dbraw/zinc/99/08/92/561990892.db2.gz XMJCAKYPNFXGTG-GRYUFTJMSA-N 2 0 523.936 5.487 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2[NH2+]CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029040983 561990906 /nfs/dbraw/zinc/99/09/06/561990906.db2.gz DIRBFKOANBIWMV-UMXIMWEHSA-N 2 0 523.043 5.199 1 0 KKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055829 561994957 /nfs/dbraw/zinc/99/49/57/561994957.db2.gz VZGOFBLWSLPNDR-VSJLXWSYSA-N 2 0 534.829 8.016 1 0 in-vivo KKAFRP Cc1ccc2c(c1)C(=O)N(CCC[NH+](CCCCCC[N@@H+](CCCN1C(=O)c3ccc(C)cc3C1=O)C1CCCCC1)C1CCCCC1)C2=O ZINC000029205808 562005097 /nfs/dbraw/zinc/00/50/97/562005097.db2.gz AJIVYRHHGKFSDJ-UHFFFAOYSA-N 2 0 682.950 7.806 1 0 KKAFRP O=C1c2ccccc2C(=O)N1CCC[NH+](CCCCCC[N@H+](CCCc1ccccc1)CCCN1C(=O)c2ccccc2C1=O)CCCc1ccccc1 ZINC000029206101 562005146 /nfs/dbraw/zinc/00/51/46/562005146.db2.gz ANHMENQCYCAXKB-UHFFFAOYSA-N 2 0 726.962 7.789 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029395121 562018218 /nfs/dbraw/zinc/01/82/18/562018218.db2.gz QVHOLGDTQLACOM-GKQHHHCTSA-N 2 0 573.609 5.167 1 0 KKAFRP CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCC[NH3+])OC(=O)CCC[NH3+] ZINC000029335214 562014213 /nfs/dbraw/zinc/01/42/13/562014213.db2.gz CCQMJKWWIQLJHP-FSOJUXIPSA-N 2 0 522.727 5.052 1 0 KKAFRP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)CN1CCc1c[nH]c2ccccc12 ZINC000029408536 562021176 /nfs/dbraw/zinc/02/11/76/562021176.db2.gz CYQLEMUNTGDXFB-NJMTUYGZSA-N 2 0 584.805 5.035 1 0 KKAFRP CC[NH+](CC)CCN1CN(c2ccccc2)C2(CC[NH+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000029482676 562027652 /nfs/dbraw/zinc/02/76/52/562027652.db2.gz MLFXNLOHPNRTAG-UHFFFAOYSA-N 2 0 575.748 5.976 1 0 KKAFRP CCCCN(CC)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N(CC)CCCC)C3)cc2)C1 ZINC000029546212 562029992 /nfs/dbraw/zinc/02/99/92/562029992.db2.gz IKZKJTZSLURQHH-RNPORBBMSA-N 2 0 526.810 5.408 1 0 KKAFRP CCN(CC)C(=O)[C@@H]1CCC[NH+](CCCCCCCCCC[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)C1 ZINC000029550929 562030952 /nfs/dbraw/zinc/03/09/52/562030952.db2.gz VUAPWEZMELHKGR-VSGBNLITSA-N 2 0 506.820 5.268 1 0 KKAFRP CCCCCCC1(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC[NH+](C)CC1 ZINC000036284897 562053499 /nfs/dbraw/zinc/05/34/99/562053499.db2.gz FCUDPMSGYHNKHY-ROJLCIKYSA-N 2 0 608.271 5.181 1 0 KKAFRP CC[NH+](CC)C[C@H](CC1CCCCC1)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000036285173 562053848 /nfs/dbraw/zinc/05/38/48/562053848.db2.gz BGUKCPVRPFHBPX-HEAIWMBWSA-N 2 0 622.298 5.427 1 0 KKAFRP O=C(CC[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040405801 562074986 /nfs/dbraw/zinc/07/49/86/562074986.db2.gz SPJJFGAQKWFOME-UZBSQRRVSA-N 2 0 500.727 6.380 1 0 KKAFRP c1occ(CCNc2c3ccccc3[nH+]c3c2CCCC3)c1CCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000040423137 562076180 /nfs/dbraw/zinc/07/61/80/562076180.db2.gz UFCRJTDWAAXRMD-UHFFFAOYSA-N 2 0 516.689 7.443 1 0 KKAFRP CC1CC[NH+](CCC(=O)N[C@H]2C[C@H]3C[C@@](c4cccc(O)c4)(C2)[C@H](C)C[N@@H+]3CCCc2ccccc2)CC1 ZINC000040764260 562079552 /nfs/dbraw/zinc/07/95/52/562079552.db2.gz PXFXMBOPCYLKTA-RZGHOXDUSA-N 2 0 517.758 5.374 1 0 KKAFRP CC(C)C[C@@H]([NH3+])c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)[NH2+]C(C)C)CC1 ZINC000040866095 562081421 /nfs/dbraw/zinc/08/14/21/562081421.db2.gz NMBBKFHEXZULGI-JWQCQUIFSA-N 2 0 505.534 5.297 1 0 KKAFRP CCCCNC(=O)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(=O)NCCCC)cc2)cc1 ZINC000040951745 562086132 /nfs/dbraw/zinc/08/61/32/562086132.db2.gz DEWXUVCKQAHNRC-UHFFFAOYSA-P 2 0 524.794 5.923 1 0 KKAFRP O=C1CCC[NH+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[N@H+]1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088210 /nfs/dbraw/zinc/08/82/10/562088210.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 2 0 580.773 5.964 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@@]3(C[C@@]4(C[S@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043122715 562646256 /nfs/dbraw/zinc/64/62/56/562646256.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 2 0 510.744 6.321 1 0 KKAFRP O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCC[N@@H+]1CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000043175214 562646601 /nfs/dbraw/zinc/64/66/01/562646601.db2.gz CIAWHNGOFJZBCL-MGBGTMOVSA-N 2 0 642.288 7.168 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C2)CC[NH+]1C ZINC000044306880 562653869 /nfs/dbraw/zinc/65/38/69/562653869.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 2 0 608.735 6.859 1 0 in-vivo KKAFRP CC(=O)N(CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000044307938 562654170 /nfs/dbraw/zinc/65/41/70/562654170.db2.gz GQFXELZZSUDRNE-UHFFFAOYSA-N 2 0 549.763 7.083 1 0 KKAFRP CCCC[NH2+]CCN1CN(c2ccccc2)C2(CC[NH+]([C@H]3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O ZINC000044417317 562657115 /nfs/dbraw/zinc/65/71/15/562657115.db2.gz MEFGLNPAZYTMOF-NDEPHWFRSA-N 2 0 557.610 6.637 1 0 KKAFRP CCC[NH+](CCCN(CCC[N@@H+](CCC)C(C)C)c1cc(C)nc(Nc2ccc(Cl)cc2)n1)C(C)C ZINC000045189811 562658455 /nfs/dbraw/zinc/65/84/55/562658455.db2.gz WJUJKFDRJAUQIY-UHFFFAOYSA-N 2 0 517.206 7.009 1 0 KKAFRP CC(=O)N(Cc1ccccc1-c1cccc(C[NH2+]CCc2ccccc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000045193533 562658757 /nfs/dbraw/zinc/65/87/57/562658757.db2.gz DNOSTTGXFKGBKW-UHFFFAOYSA-N 2 0 531.744 6.699 1 0 KKAFRP COc1cc2ccccc2c(OC)c1C[NH2+]CCCCCC[NH2+]Cc1c(OC)cc2ccccc2c1OC ZINC000045195935 562658940 /nfs/dbraw/zinc/65/89/40/562658940.db2.gz XOWHMQQZMNCGIZ-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP CCC[NH+](CCC)CCCN(CCC[NH+](CCC)CCC)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 ZINC000045321709 562661057 /nfs/dbraw/zinc/66/10/57/562661057.db2.gz PQBFEZFFLSPOIZ-UHFFFAOYSA-N 2 0 517.206 7.013 1 0 KKAFRP C[NH+](C)CCCOc1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000045334512 562661270 /nfs/dbraw/zinc/66/12/70/562661270.db2.gz FBTZFNRQQIAKHT-UHFFFAOYSA-N 2 0 534.104 5.896 1 0 KKAFRP CN1CCC=C(c2nsnc2OCCCC[NH2+]CCCCCNc2c3ccccc3[nH+]c3c2CCCC3)C1 ZINC000045368841 562662174 /nfs/dbraw/zinc/66/21/74/562662174.db2.gz AUCWQMMKRXKOPQ-UHFFFAOYSA-N 2 0 534.774 5.715 1 0 KKAFRP O=C1c2cc(OCC[NH+]3CCCC3)ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000045385579 562662383 /nfs/dbraw/zinc/66/23/83/562662383.db2.gz IHLWDOMUNOPZJF-UHFFFAOYSA-N 2 0 533.672 6.062 1 0 KKAFRP COCC[NH2+]Cc1ccc(-c2cccc(CN(C(=O)NCCc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000048307239 562662901 /nfs/dbraw/zinc/66/29/01/562662901.db2.gz DQWFIBPRQAJNSF-UHFFFAOYSA-N 2 0 590.812 6.509 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605318 562665691 /nfs/dbraw/zinc/66/56/91/562665691.db2.gz CIRKMYZTGAYXAM-RPWUZVMVSA-N 2 0 609.041 8.383 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000049605315 562665702 /nfs/dbraw/zinc/66/57/02/562665702.db2.gz CIRKMYZTGAYXAM-BJKOFHAPSA-N 2 0 609.041 8.383 1 0 KKAFRP CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000049605356 562665732 /nfs/dbraw/zinc/66/57/32/562665732.db2.gz GSNIRLNWFYLXHY-CWAYLNQUSA-N 2 0 563.742 7.145 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605384 562665815 /nfs/dbraw/zinc/66/58/15/562665815.db2.gz HNSGUCXPDVWMRV-ZTOMLWHTSA-N 2 0 562.076 5.814 1 0 KKAFRP C[C@@H](Cc1ccc(COc2ccc(C[C@H](CO)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605710 562666241 /nfs/dbraw/zinc/66/62/41/562666241.db2.gz NFOBFPWDECPYDW-UVMFRMCBSA-N 2 0 591.623 7.071 1 0 KKAFRP O=C([C@H]1C[C@H]1c1ccccc1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH2+]CC1 ZINC000049614055 562666539 /nfs/dbraw/zinc/66/65/39/562666539.db2.gz HQGVZEYQUVZHFL-ZPGRZCPFSA-N 2 0 543.755 6.570 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000049626033 562666941 /nfs/dbraw/zinc/66/69/41/562666941.db2.gz ZGVNIXGBMKEIHI-FTJBHMTQSA-N 2 0 622.175 8.138 1 0 KKAFRP Clc1ccc(OCCC2CC[NH+](CCCCCCC[NH+]3CCC(CCOc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1Cl ZINC000049626250 562667115 /nfs/dbraw/zinc/66/71/15/562667115.db2.gz BJWIQRQCZSWWEM-UHFFFAOYSA-N 2 0 644.555 9.913 1 0 KKAFRP CCOC(=O)c1ccc(NC(=O)N(Cc2ccc(-c3ccc(CN4CC[NH2+]CC4)cc3)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049626791 562667309 /nfs/dbraw/zinc/66/73/09/562667309.db2.gz PXTHEUVCIZGCIR-UHFFFAOYSA-N 2 0 645.848 6.634 1 0 KKAFRP O=C(Nc1cccc(F)c1)N(Cc1ccc(-c2cccc(CN3CC[NH2+]CC3)c2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049639084 562667585 /nfs/dbraw/zinc/66/75/85/562667585.db2.gz OJJXLALWWGATRW-UHFFFAOYSA-N 2 0 591.775 6.597 1 0 KKAFRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CC[NH+](C)C)cc4)c3)c2)cc1 ZINC000049637834 562667607 /nfs/dbraw/zinc/66/76/07/562667607.db2.gz AGFDFFBMHSHALS-UHFFFAOYSA-N 2 0 678.794 5.616 1 0 KKAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2[nH]c(CCCCc3nc4ccc(C5=[NH+][C@@H]6CCCC[C@@H]6N5)cc4[nH]3)nc12 ZINC000049639166 562667638 /nfs/dbraw/zinc/66/76/38/562667638.db2.gz WZEACAQARQPZHS-WAPCQROESA-N 2 0 534.712 5.327 1 0 KKAFRP COc1ccc(OCCC[NH+]2CCN(C[C@H](c3ccc(F)cc3)N3CC[NH+](C(C)C)CC3)CC2)c2ccccc12 ZINC000049639208 562667694 /nfs/dbraw/zinc/66/76/94/562667694.db2.gz BHPZSUGMORPPQT-WJOKGBTCSA-N 2 0 548.747 5.141 1 0 KKAFRP CCN1CCN(C(=[NH2+])c2ccc3[nH]c(-c4ccc(Oc5ccc(-c6nc7cc(C(=[NH2+])N8CCN(CC)CC8)ccc7[nH]6)cc5)cc4)nc3c2)CC1 ZINC000049650218 562668036 /nfs/dbraw/zinc/66/80/36/562668036.db2.gz UOAXFFKPIVDLLI-UHFFFAOYSA-N 2 0 680.861 6.491 1 0 KKAFRP CN1CCc2c3ccccc3[nH]c2[C@@H]1C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000049710243 562671594 /nfs/dbraw/zinc/67/15/94/562671594.db2.gz SXCGYMQYLYUUDT-RPEDFPOBSA-N 2 0 566.834 6.380 1 0 KKAFRP CC(=O)N(Cc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)Cc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000049710418 562671670 /nfs/dbraw/zinc/67/16/70/562671670.db2.gz FXIRTKNQSRVXHH-VMPREFPWSA-N 2 0 630.704 8.069 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H](C)C[NH+](C)C)cc1F ZINC000049722528 562672119 /nfs/dbraw/zinc/67/21/19/562672119.db2.gz SXRYJLNFTFPPKE-MHZLTWQESA-N 2 0 688.866 5.574 1 0 KKAFRP C[C@H]1C[N@H+](Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CC[NH+](C)CC5)c4)ccc3F)c2)CCN1C ZINC000049744999 562673577 /nfs/dbraw/zinc/67/35/77/562673577.db2.gz LSFMHQPXLGYHJH-VWLOTQADSA-N 2 0 542.743 5.443 1 0 KKAFRP COc1ccc(C(=O)C[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c2ccc(OC)cc2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 ZINC000049746743 562674604 /nfs/dbraw/zinc/67/46/04/562674604.db2.gz PZCAJRBMLAWARR-MAZIBIHTSA-N 2 0 706.884 7.084 1 0 KKAFRP c1ccc(CCCc2cc[n+](CCCCCCCCCCCC[n+]3ccc(CCCc4ccccc4)cc3)cc2)cc1 ZINC000049757055 562675472 /nfs/dbraw/zinc/67/54/72/562675472.db2.gz AAZYQZVCUPZNQP-UHFFFAOYSA-N 2 0 562.886 9.213 1 0 KKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCc2ccc(-c3ccc(CCC[n+]4cccc([C@@H]5CCC[N@H+]5C)c4)cc3)cc2)c1 ZINC000049757242 562675783 /nfs/dbraw/zinc/67/57/83/562675783.db2.gz VXJOOTNFWSEXEQ-UWXQCODUSA-N 4 0 560.830 6.728 1 0 KKAFRP C[NH+]1CCN(Cc2ccc(NC(=O)OC[C@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762223 562676422 /nfs/dbraw/zinc/67/64/22/562676422.db2.gz BNADKFGPICFCAD-SANMLTNESA-N 2 0 543.693 5.302 1 0 KKAFRP COc1ccc(CC[NH2+][C@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049762357 562676543 /nfs/dbraw/zinc/67/65/43/562676543.db2.gz XEUBLCSMUGHTPV-KAYWLYCHSA-N 2 0 584.204 7.128 1 0 KKAFRP O=C(C[C@@H]([NH2+]CCCCCCCC[NH2+][C@@H](CC(=O)c1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000049763094 562676819 /nfs/dbraw/zinc/67/68/19/562676819.db2.gz GXNZUCYHXRTKIT-PIYFIQLCSA-N 2 0 755.016 8.824 1 0 KKAFRP CC(C)CCCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049771177 562677998 /nfs/dbraw/zinc/67/79/98/562677998.db2.gz SPJRZFQSMUVKQV-SPWOZAQASA-N 3 0 633.929 6.113 1 0 KKAFRP CC(C)(C)CC(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771700 562678311 /nfs/dbraw/zinc/67/83/11/562678311.db2.gz VTWFJLCOSFVAEY-MVPPQRGBSA-N 2 0 661.935 8.231 1 0 KKAFRP CC(C)(C)C(=O)Nc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049771666 562678328 /nfs/dbraw/zinc/67/83/28/562678328.db2.gz WIOJUPZXMHVOPP-WKKCBXNOSA-N 2 0 647.908 7.840 1 0 KKAFRP C[NH+]1CCc2ccccc2Cc2ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@H+](C)CCc3ccccc3C4)cc2CC1 ZINC000049780213 562681479 /nfs/dbraw/zinc/68/14/79/562681479.db2.gz XUHIMIGMTWKPCU-UHFFFAOYSA-N 2 0 644.944 8.727 1 0 KKAFRP CC[N@@H+]1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780913 562682455 /nfs/dbraw/zinc/68/24/55/562682455.db2.gz BNQVFVPZXLTYLM-AREMUKBSSA-N 2 0 656.819 5.297 1 0 KKAFRP c1ccc2c(c1)CCN1CCc3cc(OCCCCOc4ccc5c(c4)CCN4CCc6ccccc6[C@H]54)ccc3[C@@H]21 ZINC000049783928 562683322 /nfs/dbraw/zinc/68/33/22/562683322.db2.gz YFPJWCABOINEPJ-XPSQVAKYSA-N 2 0 556.750 6.932 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049817531 562686831 /nfs/dbraw/zinc/68/68/31/562686831.db2.gz ZHNVEXZKXNWTHM-HVMLWUFWSA-N 3 0 725.911 7.980 1 0 KKAFRP O=C(c1ccccc1)N(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917557 562693593 /nfs/dbraw/zinc/69/35/93/562693593.db2.gz JCEHLCRIUJUGJX-UHFFFAOYSA-N 2 0 593.815 7.993 1 0 KKAFRP CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)c4ccco4)C4CC[NH+](Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917685 562693755 /nfs/dbraw/zinc/69/37/55/562693755.db2.gz PVLRPOIGYQTNAR-UHFFFAOYSA-N 2 0 662.856 6.384 1 0 KKAFRP CCCC[NH2+]Cc1ccc(-c2nc(CN(CCCN3CC[NH+](C)CC3)C(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000049917784 562693881 /nfs/dbraw/zinc/69/38/81/562693881.db2.gz YEPACNGQHKMPKV-UHFFFAOYSA-N 2 0 569.219 6.025 1 0 KKAFRP C[C@@H](CCCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917887 562694048 /nfs/dbraw/zinc/69/40/48/562694048.db2.gz NXNJEADLUQDOKB-DQEYMECFSA-N 2 0 554.606 7.476 1 0 KKAFRP C[C@H](CCCCC(=O)Nc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917886 562694049 /nfs/dbraw/zinc/69/40/49/562694049.db2.gz NXNJEADLUQDOKB-JWQCQUIFSA-N 2 0 554.606 7.476 1 0 KKAFRP COc1cc(C[NH2+]CCC(C)C)ccc1OCc1cccc(COc2ccc(C[NH2+]CCC(C)C)cc2OC)c1 ZINC000049917968 562694241 /nfs/dbraw/zinc/69/42/41/562694241.db2.gz ZGISXYLEPZKJGO-UHFFFAOYSA-N 2 0 548.768 7.133 1 0 KKAFRP COCC(=O)N(Cc1ccccc1-c1ccc(C[NH2+]CCc2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049917980 562694285 /nfs/dbraw/zinc/69/42/85/562694285.db2.gz MJRIHCRXGOWFGK-UHFFFAOYSA-N 2 0 561.770 6.326 1 0 KKAFRP COCC(=O)N(Cc1ccccc1-c1cccc(C[NH2+]CCc2ccccc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049918107 562694453 /nfs/dbraw/zinc/69/44/53/562694453.db2.gz QPPZIRZEDWMTNZ-UHFFFAOYSA-N 2 0 561.770 6.326 1 0 KKAFRP CC[NH2+]C(C)(C)[C@H]1OC2(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000058592594 562700619 /nfs/dbraw/zinc/70/06/19/562700619.db2.gz OAXZWFIAYWRPIB-PZXMZKPCSA-N 2 0 616.193 6.098 1 0 KKAFRP CC[C@@H](C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])N[C@H](C)CC)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000058603829 562700930 /nfs/dbraw/zinc/70/09/30/562700930.db2.gz VUGDEHFWTAZJIC-DNQXCXABSA-N 2 0 610.810 7.985 1 0 KKAFRP CC(C)C[NH+](CC(C)C)C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064379493 562704889 /nfs/dbraw/zinc/70/48/89/562704889.db2.gz DLMAHEURGWWRQJ-PZWMIYICSA-N 2 0 588.872 6.486 1 0 KKAFRP C[NH+](C)CCN1CCN(C(=O)N2C[C@H]([N@H+](C)Cc3ccc(C(F)(F)F)c(F)c3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000064511959 562706163 /nfs/dbraw/zinc/70/61/63/562706163.db2.gz ZCFMKLWEPWFMJW-RLWLMLJZSA-N 2 0 604.520 5.350 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000064513123 562706304 /nfs/dbraw/zinc/70/63/04/562706304.db2.gz ZQKXKIXTORFTET-ACHIHNKUSA-N 2 0 566.827 5.697 1 0 KKAFRP Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1OC[C@H](O)C[NH+]1CCCCC1 ZINC000064513117 562706324 /nfs/dbraw/zinc/70/63/24/562706324.db2.gz ZQKXKIXTORFTET-ROJLCIKYSA-N 2 0 566.827 5.697 1 0 KKAFRP Cc1c(C(=O)NCCCCCCC[NH2+]CCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064527727 562707189 /nfs/dbraw/zinc/70/71/89/562707189.db2.gz MLCMEJXDYUTCBX-UHFFFAOYSA-N 2 0 607.070 7.987 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073945 562709641 /nfs/dbraw/zinc/70/96/41/562709641.db2.gz HGSQOYNWHXVVJS-JGCGQSQUSA-N 2 0 592.788 5.610 1 0 KKAFRP CC(c1ccccc1)(c1ccc(NC(=O)C[NH+]2CCCC2)cc1)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000066098776 562711024 /nfs/dbraw/zinc/71/10/24/562711024.db2.gz QRFFLZSRZNHZDM-UHFFFAOYSA-N 2 0 510.682 5.110 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)CC1 ZINC000066102224 562711410 /nfs/dbraw/zinc/71/14/10/562711410.db2.gz DQCFXRWZNALQHV-DHUJRADRSA-N 2 0 603.804 6.618 1 0 KKAFRP CCC[C@@H](C[N@@H+]1CCC[C@H]1CN1C(N)=[NH+]C[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=[NH2+] ZINC000066136289 562713052 /nfs/dbraw/zinc/71/30/52/562713052.db2.gz OEYJVVPXADZZGO-IHZBLBIESA-N 3 0 563.879 5.408 3 0 KKAFRP O=C1c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)C(=O)c2cccc1c2 ZINC000072105170 562720684 /nfs/dbraw/zinc/72/06/84/562720684.db2.gz BYKINNJLOAYJEU-UHFFFAOYSA-N 2 0 690.825 5.666 1 0 KKAFRP c1ccc2c(c1)Cc1c-2[nH+]c2ccccc2c1NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000072113148 562722247 /nfs/dbraw/zinc/72/22/47/562722247.db2.gz CYAYCBCGPZWTLM-UHFFFAOYSA-N 2 0 526.728 8.708 1 0 KKAFRP O=C1c2c3occc3c3ccsc3c2C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2c3occc3c3ccsc3c2C1=O ZINC000072113351 562722315 /nfs/dbraw/zinc/72/23/15/562722315.db2.gz CYSKLMBBXZIUKF-UHFFFAOYSA-N 2 0 612.689 5.070 1 0 KKAFRP [NH3+]CCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@@H+]1CCc1c[nH]c2ccccc12 ZINC000072115328 562722979 /nfs/dbraw/zinc/72/29/79/562722979.db2.gz JIZLTCCSRQRYNK-SZRGUQLDSA-N 2 0 661.887 7.296 1 0 KKAFRP CC[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc(Nc5cc(N6CC[NH2+]CC6)nc(C)n5)cn4)c3)cc2C(F)(F)F)CC1 ZINC000072119056 562723796 /nfs/dbraw/zinc/72/37/96/562723796.db2.gz NDKGCIDWMFLFCL-JXMROGBWSA-N 2 0 700.814 5.616 3 0 KKAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000072119653 562723837 /nfs/dbraw/zinc/72/38/37/562723837.db2.gz GUQBWSJNLHWBHP-UHFFFAOYSA-N 2 0 620.842 5.904 1 0 KKAFRP COc1ccc(C[NH2+]C[C@@H](CCCC[N@H+](C)Cc2ccc(OC)cc2)N2C[C@H](c3ccccc3)N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)cc1 ZINC000072121200 562724144 /nfs/dbraw/zinc/72/41/44/562724144.db2.gz KDTMQIOUBMOSIC-FXBDCZLJSA-N 2 0 731.765 7.426 3 0 KKAFRP COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC[NH+](C)C)c1 ZINC000072132841 562726957 /nfs/dbraw/zinc/72/69/57/562726957.db2.gz GLYFGYIXZOBFGF-GPOMZPHUSA-N 2 0 712.759 7.163 1 0 KKAFRP CN(c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5cc(Cl)cc(Cl)c5)cc4)cc3)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000072134038 562727159 /nfs/dbraw/zinc/72/71/59/562727159.db2.gz GPEAVVPILFHQDX-UHFFFAOYSA-N 2 0 686.514 10.175 1 0 KKAFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc6c(cc5NC4=C(C(=O)OC)C1)O[C@H]1[C@@H]6[N@@H+]4CC[C@]56c7ccccc7NC5=C(C(=O)OC)C[C@@](CC)([C@H]46)[C@@H]1O)[C@@H]32 ZINC000072135795 562727568 /nfs/dbraw/zinc/72/75/68/562727568.db2.gz YQIMTIRTIOECPN-HEBOQUGASA-N 2 0 702.852 5.063 1 0 KKAFRP Cc1c(C(=O)NCCCCCCCCC[NH2+]CCCCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072147617 562729750 /nfs/dbraw/zinc/72/97/50/562729750.db2.gz ZGCPUQXKERMYNW-UHFFFAOYSA-N 2 0 663.178 9.547 1 0 KKAFRP Cc1c(C(=O)NCCCCCCCCCCC[NH2+]CCCCCCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000072147624 562729800 /nfs/dbraw/zinc/72/98/00/562729800.db2.gz WTDHZFXKKYQDIZ-UHFFFAOYSA-N 2 0 719.286 11.108 1 0 KKAFRP Cc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CCCCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(C)c4oc3=O)c(=O)oc21 ZINC000072181110 562732669 /nfs/dbraw/zinc/73/26/69/562732669.db2.gz YATRTMRBDCQDNG-UHFFFAOYSA-N 2 0 686.806 5.600 1 0 KKAFRP [NH2+]=C(Nc1ccc(Oc2cccc(Oc3ccc(NC(=[NH2+])C4CCCCC4)cc3)c2)cc1)C1CCCCC1 ZINC000073161928 562734151 /nfs/dbraw/zinc/73/41/51/562734151.db2.gz ZEFLPPKOBOHXKG-UHFFFAOYSA-N 2 0 510.682 9.210 1 0 KKAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000073276560 562737321 /nfs/dbraw/zinc/73/73/21/562737321.db2.gz QITNIAPXIUPAEO-BHVANESWSA-N 2 0 615.884 6.032 1 0 KKAFRP COc1ccc(OCCC[C@@H](c2ccc(-c3ccc(C[NH+]4CCCCC4)cc3)cc2)[N@@H+]2CCC[C@@H]2C)cc1 ZINC000082158343 562741115 /nfs/dbraw/zinc/74/11/15/562741115.db2.gz DXSIMOWQSIWUHR-FOPBOCKXSA-N 2 0 512.738 7.733 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084596728 562743801 /nfs/dbraw/zinc/74/38/01/562743801.db2.gz SWOKEIJMLYUVPF-WDYNHAJCSA-N 2 0 621.313 10.956 1 0 KKAFRP NC(=[NH2+])c1cc(Br)c(OCCCCCOc2c(Br)cc(C(N)=[NH2+])cc2Br)c(Br)c1 ZINC000084597019 562743906 /nfs/dbraw/zinc/74/39/06/562743906.db2.gz IBLAVEOOWKZWIY-UHFFFAOYSA-N 2 0 656.011 5.933 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)cc1)c1cccc2ccccc21 ZINC000084654839 562747365 /nfs/dbraw/zinc/74/73/65/562747365.db2.gz STUKKPRVMQJVHH-XOAACPPSSA-N 2 0 673.837 5.858 1 0 KKAFRP O=C(CC[NH+]1CCCCC1)Nc1cc2c3cc(NC(=O)CC[NH+]4CCCCC4)cc(-n4cccn4)c3[nH]c2c(-n2cccn2)c1 ZINC000084671285 562748505 /nfs/dbraw/zinc/74/85/05/562748505.db2.gz QZQGFUDDXFZWES-UHFFFAOYSA-N 2 0 607.763 5.322 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)C[NH+]7CCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084688337 562749158 /nfs/dbraw/zinc/74/91/58/562749158.db2.gz AKJFTBQRELUULK-UHFFFAOYSA-N 2 0 666.790 5.404 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)CC[NH+]7CCCC7)cc6)nn5)cc4c3)nn2)cc1 ZINC000084689167 562749288 /nfs/dbraw/zinc/74/92/88/562749288.db2.gz MGIWXHAVQJPNOU-UHFFFAOYSA-N 2 0 694.844 6.184 1 0 KKAFRP [NH3+]CCCNC(=O)[C@H](CC[NH3+])NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095543007 562757007 /nfs/dbraw/zinc/75/70/07/562757007.db2.gz MCZCDUNDDRSRMG-LQJZCPKCSA-N 3 0 756.179 5.277 1 0 KKAFRP COc1cc(C(=O)N2CC[C@@](CC[NH+]3CCC(C(=O)c4nc5ccccc5n4CCN4CCOCC4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545731 562758216 /nfs/dbraw/zinc/75/82/16/562758216.db2.gz ORBDOXUKPRMJQT-VQJSHJPSSA-N 2 0 778.778 6.470 1 0 KKAFRP COc1ccccc1N1CC[NH+](Cc2cc(C[NH+]3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 ZINC000095560318 562763014 /nfs/dbraw/zinc/76/30/14/562763014.db2.gz HVGNYVOUQOKFLU-UHFFFAOYSA-N 2 0 536.720 5.453 1 0 KKAFRP CC[NH+](CC)Cc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000095575611 562770382 /nfs/dbraw/zinc/77/03/82/562770382.db2.gz NXNBTJXXHOISND-UHFFFAOYSA-N 2 0 616.846 9.634 1 0 KKAFRP CC[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095576112 562770523 /nfs/dbraw/zinc/77/05/23/562770523.db2.gz GEDCFQCGOZAXCA-UHFFFAOYSA-N 2 0 513.711 6.390 1 0 KKAFRP COCCc1sc[n+](CCCCc2ccc(CCCC[n+]3csc(CCOC)c3C)c3ccccc23)c1C ZINC000095595883 562776856 /nfs/dbraw/zinc/77/68/56/562776856.db2.gz MFANLWCRUXLTAN-UHFFFAOYSA-N 2 0 552.850 6.578 1 0 KKAFRP CCCCCC[NH2+]C[C@@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@@H](O)C[NH2+]CCCCCC)cc1)=C2 ZINC000095603561 562780595 /nfs/dbraw/zinc/78/05/95/562780595.db2.gz YFAJXXRFGNPCDA-XZWHSSHBSA-N 2 0 554.772 5.439 1 0 KKAFRP CCCCCC[NH2+]C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH2+]CCCCCC)cc3OC2)cc1 ZINC000095603563 562780597 /nfs/dbraw/zinc/78/05/97/562780597.db2.gz YFAJXXRFGNPCDA-KYJUHHDHSA-N 2 0 554.772 5.439 1 0 KKAFRP CCCCCC[NH2+]C[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)C[NH2+]CCCCCC)cc3OC2)cc1 ZINC000095603564 562780616 /nfs/dbraw/zinc/78/06/16/562780616.db2.gz YFAJXXRFGNPCDA-IHLOFXLRSA-N 2 0 554.772 5.439 1 0 KKAFRP CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[N@@H+]7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[NH+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786293 /nfs/dbraw/zinc/78/62/93/562786293.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 2 0 799.032 6.750 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285565 562795856 /nfs/dbraw/zinc/79/58/56/562795856.db2.gz MDVLYACOLMKYAL-UHFFFAOYSA-N 2 0 588.752 6.386 1 0 KKAFRP COc1cc(OCCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)cc2occc(=O)c12 ZINC000096285551 562795870 /nfs/dbraw/zinc/79/58/70/562795870.db2.gz TZWXGPOBAFCOHW-UHFFFAOYSA-N 2 0 556.707 5.117 1 0 KKAFRP NC(=[NH2+])Nc1ccc(N[C@H]2C[C@@H](NC(N)=[NH2+])[C@H](Oc3ccc(NC(N)=[NH2+])c4ccccc34)C[C@@H]2Oc2ccc(NC(N)=[NH2+])c3ccccc23)c2ccccc12 ZINC000096305023 562796335 /nfs/dbraw/zinc/79/63/35/562796335.db2.gz YZDIAOQOBLBMDP-IOVVEOIZSA-N 4 0 737.873 5.383 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096900327 562796795 /nfs/dbraw/zinc/79/67/95/562796795.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 2 0 788.938 8.759 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096903124 562797797 /nfs/dbraw/zinc/79/77/97/562797797.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 2 0 777.756 9.495 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096903110 562797806 /nfs/dbraw/zinc/79/78/06/562797806.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 2 0 748.898 7.922 1 0 KKAFRP [NH2+]=C(Nc1cccc(-c2cc(Cl)cc(-c3cccc(NC(=[NH2+])c4ccccc4)c3)c2)c1)c1ccccc1 ZINC000096908136 562799332 /nfs/dbraw/zinc/79/93/32/562799332.db2.gz YIXCNIKVIVXXSL-UHFFFAOYSA-N 2 0 501.033 8.549 1 0 KKAFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)c1 ZINC000096922776 562801879 /nfs/dbraw/zinc/80/18/79/562801879.db2.gz XJSXBQZTBYSCDD-UHFFFAOYSA-N 4 0 717.911 6.850 1 0 KKAFRP [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](OCc3ccc4ccccc4c3)[C@H](OCc3ccc4ccccc4c3)[C@H]2[NH3+])[C@H](O)[C@H]1OCc1cccc2ccccc21 ZINC000096932607 562803423 /nfs/dbraw/zinc/80/34/23/562803423.db2.gz KEDMEVCUUPCOEN-NGTUMBJYSA-N 3 0 743.901 5.051 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@H](CCCCC)C1C(=O)OCCCc1cccnc1 ZINC000100033935 562806234 /nfs/dbraw/zinc/80/62/34/562806234.db2.gz VTFJWOXHAJNSBJ-PTBNBFCCSA-N 2 0 533.713 6.421 1 0 KKAFRP c1ccc(C(=C(c2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccc(OCC[NH+]3CCCCCC3)cc2)c2ccccc2)cc1 ZINC000103230570 562818207 /nfs/dbraw/zinc/81/82/07/562818207.db2.gz PKNBFDFVPXQOMJ-UHFFFAOYSA-N 2 0 614.874 9.204 1 0 KKAFRP Cc1ccc(CNC(=O)C[C@H]2c3ccccc3[NH+]=C(N3CCN(CC[NH+](C)C)CC3)N2c2ccc(-c3ccccc3)cc2)cc1 ZINC000103240425 562819433 /nfs/dbraw/zinc/81/94/33/562819433.db2.gz ZJBLZPIKNPZNLZ-BHVANESWSA-N 2 0 600.811 6.097 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N5CCCC5)cc4)cc3)cc2)cc1 ZINC000103262568 562821653 /nfs/dbraw/zinc/82/16/53/562821653.db2.gz HQKTXRKVFZCXFS-UHFFFAOYSA-N 2 0 547.146 7.047 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(-c2c(=O)oc3cc(OCC[NH+](CC)CC)ccc3c2-c2ccccc2)cc1 ZINC000103267531 562822406 /nfs/dbraw/zinc/82/24/06/562822406.db2.gz XGKPCKDNFDFIJF-UHFFFAOYSA-N 2 0 528.693 6.568 1 0 KKAFRP CC[NH+](CC)CCOc1ccc(-c2c3ccccc3oc(=O)c2-c2ccc(OCC[NH+](CC)CC)cc2)cc1 ZINC000103267545 562822504 /nfs/dbraw/zinc/82/25/04/562822504.db2.gz WTUGJXIIGPGGJY-UHFFFAOYSA-N 2 0 528.693 6.568 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[N@H+](C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795431 562830648 /nfs/dbraw/zinc/83/06/48/562830648.db2.gz OQQLKHVTFRESEW-MHHVZENASA-N 2 0 576.181 6.949 1 0 KKAFRP COc1ccc2c(c1)C[N@@H+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[NH+]3CCCc1ccccc1)CC2 ZINC000140272948 562832947 /nfs/dbraw/zinc/83/29/47/562832947.db2.gz CZFWPLJKZPVFAU-NFQPKNNSSA-N 2 0 581.801 5.709 1 0 KKAFRP COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CCCCCCc1cnnn1CCNc1c3ccccc3[nH+]c3c1CCCC3)CC2 ZINC000142276577 562834102 /nfs/dbraw/zinc/83/41/02/562834102.db2.gz CYNQBOTZAQCFGD-FAIXQHPJSA-N 2 0 644.864 7.585 1 0 KKAFRP F[C@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](F)CN7)cc6o5)s4)[nH]c3c2)=[NH+]C1 ZINC000143832248 562835320 /nfs/dbraw/zinc/83/53/20/562835320.db2.gz LXNPUYHFEXOYGF-UHFFFAOYSA-N 2 0 515.589 5.685 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC[NH+]2CCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000144294022 562836069 /nfs/dbraw/zinc/83/60/69/562836069.db2.gz XVEOBAMHAVOBRR-HVHHDALESA-N 2 0 575.556 5.485 1 0 KKAFRP O=C(OC[C@H](C1CC[NH2+]CC1)n1c2ccccc2nc1-c1ccccc1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000146350072 562838469 /nfs/dbraw/zinc/83/84/69/562838469.db2.gz NWVNPWZUKXKBRN-PSXMRANNSA-N 2 0 639.804 6.601 1 0 KKAFRP CN(c1cc[n+](Cc2cc(C[n+]3ccc(N(C)c4cc(Cl)cc(Cl)c4)cc3)cc(C[n+]3ccc(N(C)c4cc(Cl)cc(Cl)c4)cc3)c2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000150540622 562844190 /nfs/dbraw/zinc/84/41/90/562844190.db2.gz RWPNDLDMPKYQMN-UHFFFAOYSA-N 3 0 876.567 11.918 1 0 KKAFRP CCc1c2cc(N)ccc2[nH]c1[C@@](C[C@H]1C=C(CC)C[NH2+]C1)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]23CC[N@@H+]2C=CC[C@](CC)([C@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC ZINC000150550794 562844585 /nfs/dbraw/zinc/84/45/85/562844585.db2.gz JBNPASFUSQQDKY-AGJHSZMPSA-N 2 0 810.005 5.020 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=[NH2+])N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599146 562846952 /nfs/dbraw/zinc/84/69/52/562846952.db2.gz LZKCQRVREPOZNT-CONSDPRKSA-N 2 0 710.581 8.781 1 0 KKAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 ZINC000163092992 562849318 /nfs/dbraw/zinc/84/93/18/562849318.db2.gz SBRNHWWXPRISTF-DHUJRADRSA-N 2 0 675.786 5.766 1 0 KKAFRP C[C@H](Cc1cccc(NC(=O)CCCN(C)C(=O)CC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1)[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000163608354 562849394 /nfs/dbraw/zinc/84/93/94/562849394.db2.gz LUGDEMWQBDECKF-OJVJLOJWSA-N 2 0 802.973 6.435 1 0 KKAFRP C/C=C1/C[NH+]2[C@@H](C3=C[C@@H]4[C@@H]5N(c6ccccc6[C@@]56CC[N@H+]5C/C(=C/C)[C@@H]4C[C@H]56)C3=O)C[C@]34c5ccccc5N5C(=O)C=C[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169291356 562851910 /nfs/dbraw/zinc/85/19/10/562851910.db2.gz VCDMHIARBYKHSB-RFIZNQPASA-N 2 0 634.824 5.512 1 0 KKAFRP CCC1=C[C@H]2C[N@H+](C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[NH+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852158 /nfs/dbraw/zinc/85/21/58/562852158.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 2 0 825.041 5.823 1 0 KKAFRP CC(C)c1ccc(N2C(N3CCN(CC[NH+](C)C)CC3)=[NH+]c3ccccc3[C@@H]2CC(=O)NCc2ccccc2)cc1 ZINC000169307077 562853729 /nfs/dbraw/zinc/85/37/29/562853729.db2.gz YUHSOBUIGBFDIM-YTTGMZPUSA-N 2 0 552.767 5.245 1 0 KKAFRP CCCCOc1c(OC)cc(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c2nccc(CC)c21 ZINC000169321363 562856636 /nfs/dbraw/zinc/85/66/36/562856636.db2.gz RCGLGZGPDWJTFH-ISJGIBHGSA-N 3 0 529.814 6.041 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O ZINC000169321636 562856699 /nfs/dbraw/zinc/85/66/99/562856699.db2.gz HJDXDXHHUVMBAQ-DHUJRADRSA-N 2 0 682.884 6.203 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@@H+]2CC[C@@H](OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)C2)ccc1O ZINC000169323326 562857028 /nfs/dbraw/zinc/85/70/28/562857028.db2.gz MSAQGVKTRRVSDT-YJNPBZNESA-N 2 0 703.302 6.466 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCc2ccc(OCCC[NH+]3CCC(OC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)CC3)cc2)ccc1O ZINC000169323349 562857032 /nfs/dbraw/zinc/85/70/32/562857032.db2.gz OLQVXOXGEMTERL-QNGWXLTQSA-N 2 0 753.318 6.137 1 0 KKAFRP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3CCCCCCC[C@H]1[NH2+]CCc2c3cc(OC)ccc3[nH]c21 ZINC000169330141 562858672 /nfs/dbraw/zinc/85/86/72/562858672.db2.gz XPELMGCVJSRMRA-FQLXRVMXSA-N 2 0 500.687 6.471 1 0 KKAFRP CC[n+]1cccc2cc(NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)Nc7ccc8c(ccc[n+]8CC)c7)cc6)cc5)cc4)cc3)ccc21 ZINC000169333057 562859231 /nfs/dbraw/zinc/85/92/31/562859231.db2.gz PIZHHIDILIDITM-UHFFFAOYSA-P 2 0 704.874 10.113 1 0 KKAFRP CCCC[n+]1cccc2cc(NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)Nc7ccc8c(ccc[n+]8CCCC)c7)cc6)cc5)cc4)cc3)ccc21 ZINC000169333063 562859248 /nfs/dbraw/zinc/85/92/48/562859248.db2.gz DWSBTNNHKXDONU-UHFFFAOYSA-P 2 0 760.982 11.674 1 0 KKAFRP COc1cc2c(cc1OC)[C@H](Cc1ccc(OCCCCCC[NH+]3CCN(c4ccccc4)CC3)cc1)[NH2+]CC2 ZINC000169342809 562861110 /nfs/dbraw/zinc/86/11/10/562861110.db2.gz MJOOYKDRCXTTQQ-YTTGMZPUSA-N 2 0 543.752 5.895 1 0 KKAFRP c1ccc2[nH]c(Nc3ccc(Oc4ncccc4-c4ccnc(N[C@@H]5CCC[NH2+]C5)n4)c4ccccc34)nc2c1 ZINC000299823464 562882910 /nfs/dbraw/zinc/88/29/10/562882910.db2.gz DSBYFQXQZZQAFZ-HXUWFJFHSA-N 2 0 528.620 6.268 1 0 KKAFRP O=c1ccc2ccc(OCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299856545 562891936 /nfs/dbraw/zinc/89/19/36/562891936.db2.gz CSMTZEMMWNIZNM-UHFFFAOYSA-N 2 0 526.681 5.109 1 0 KKAFRP [NH2+]=c1c2ccccc2n(CCCCCCCCCCn2c3ccccc3c(=[NH2+])c3c2CCCC3)c2c1CCCC2 ZINC000377529186 562895908 /nfs/dbraw/zinc/89/59/08/562895908.db2.gz YDNYMEICUUUUQH-UHFFFAOYSA-N 2 0 534.792 8.134 1 0 KKAFRP Fc1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(F)cc13 ZINC000377846417 562896374 /nfs/dbraw/zinc/89/63/74/562896374.db2.gz DOHJYOALRCYMNG-UHFFFAOYSA-N 2 0 528.606 7.325 1 0 KKAFRP CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1 ZINC000377848836 562896395 /nfs/dbraw/zinc/89/63/95/562896395.db2.gz CEKZLCIVHZLKGQ-UHFFFAOYSA-O 2 0 557.678 6.296 1 0 KKAFRP O=C(Nc1ccccc1-c1ccc(O)c(Cl)c1)OC1CC[NH+](CCCCCCCCC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)CC1 ZINC000473156040 562902427 /nfs/dbraw/zinc/90/24/27/562902427.db2.gz SHHHPTFIRLSTIA-DHUJRADRSA-N 2 0 691.269 7.739 1 0 KKAFRP CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@@H]([NH3+])C2)CC1 ZINC000473179704 562903439 /nfs/dbraw/zinc/90/34/39/562903439.db2.gz BMOCLKLZKOXJNI-DUXKGJEZSA-N 3 0 511.041 5.028 1 0 KKAFRP C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3cc(C(F)(F)F)c(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473183156 562903565 /nfs/dbraw/zinc/90/35/65/562903565.db2.gz OWSODXICOGXEQP-RZDIXWSQSA-N 2 0 564.023 6.966 1 0 KKAFRP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236402 562904652 /nfs/dbraw/zinc/90/46/52/562904652.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 2 0 595.898 5.757 1 0 KKAFRP Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+](C)C)cc3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000473244690 562904872 /nfs/dbraw/zinc/90/48/72/562904872.db2.gz PQSDNJCKOHBTOS-MKPDMIMOSA-N 2 0 529.729 5.077 1 0 KKAFRP CC(C)[NH+]1CCN(CC[NH2+]C2CCN(c3cccc(-c4cc5cc(C(F)(F)F)ccc5[nH]4)c3)CC2)CC1 ZINC000618009144 562905872 /nfs/dbraw/zinc/90/58/72/562905872.db2.gz ADYYIBQLBAETTP-UHFFFAOYSA-N 2 0 513.652 5.438 1 0 KKAFRP O=C(Nc1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CC[NH2+]C2)c(-c2ccc(F)c(F)c2)c1 ZINC000653858729 562915896 /nfs/dbraw/zinc/91/58/96/562915896.db2.gz SWJCFZKBYJYTCH-UIOOFZCWSA-N 2 0 573.615 6.172 1 0 KKAFRP COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[NH+](C)CC3 ZINC000070454474 565119557 /nfs/dbraw/zinc/11/95/57/565119557.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 2 0 622.762 7.162 1 0 biogenic,in-vitro KKAFRP COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3[NH+](C)CC2 ZINC000095919042 565189201 /nfs/dbraw/zinc/18/92/01/565189201.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 2 0 608.735 6.440 1 0 biogenic,in-vitro KKAFRP NC(=[NH2+])c1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000003831843 561683550 /nfs/dbraw/zinc/68/35/50/561683550.db2.gz MEZAUPCCMVATCJ-UHFFFAOYSA-N 2 0 531.616 5.194 1 0 KKAFRP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCNC(=O)[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000003975393 561691889 /nfs/dbraw/zinc/69/18/89/561691889.db2.gz QVHOLGDTQLACOM-QUAHOIDUSA-N 2 0 573.609 5.167 1 0 KKAFRP C[NH+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCCCCCCCCNC(=O)[C@@H]2C[N@H+](C)CC[C@H]2c2ccc(Cl)cc2)C1 ZINC000003975402 561691948 /nfs/dbraw/zinc/69/19/48/561691948.db2.gz HEABXBKCOZEPLO-GASGPIRDSA-N 2 0 615.690 6.337 1 0 KKAFRP c1ccc(CCCC[NH2+]Cc2cc(C[NH2+]CCCCc3ccccc3)cc(C[NH2+]CCCCc3ccccc3)c2)cc1 ZINC000006005078 561701291 /nfs/dbraw/zinc/70/12/91/561701291.db2.gz RPSXXPUMOFOJAV-UHFFFAOYSA-N 3 0 561.858 8.024 1 0 KKAFRP C[C@@H]1C[NH+]=C(c2ccc(C[NH+]3CCC(CCCC4CC[NH+](Cc5ccc(C6=[NH+]C[C@@H](C)N6)cc5)CC4)CC3)cc2)N1 ZINC000006041081 561702253 /nfs/dbraw/zinc/70/22/53/561702253.db2.gz RISDPOWMGNIBSU-KAYWLYCHSA-N 4 0 554.827 5.458 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[NH+]3CCCCC3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780301 561729057 /nfs/dbraw/zinc/72/90/57/561729057.db2.gz SHFZELZOQAXTFF-XMMPIXPASA-N 2 0 525.137 6.303 1 0 KKAFRP O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000013978476 561735910 /nfs/dbraw/zinc/73/59/10/561735910.db2.gz YVIKFKHFIYLCCN-UUWRZZSWSA-N 2 0 523.765 6.737 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947321 561744725 /nfs/dbraw/zinc/74/47/25/561744725.db2.gz GCPORJYZTJZXFH-RPBOFIJWSA-N 2 0 613.677 10.439 1 0 in-vivo KKAFRP CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2c(NC(=O)C(=O)Nc3cccc4c(N[C@H](C)CCC[NH+](CC)CC)ccnc34)cccc12 ZINC000026170772 561769935 /nfs/dbraw/zinc/76/99/35/561769935.db2.gz XRKABRYLYFWQDP-VSGBNLITSA-N 2 0 654.904 7.205 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCC[NH2+]CCCCCCN(N)Cc1ccccc1OC ZINC000026172328 561770137 /nfs/dbraw/zinc/77/01/37/561770137.db2.gz GRHQYMDSSBRZTL-UHFFFAOYSA-N 3 0 555.852 5.640 1 0 KKAFRP NC(=O)C[NH2+][C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026397232 561787265 /nfs/dbraw/zinc/78/72/65/561787265.db2.gz OXQZXDGLSIMETJ-UHSQPCAPSA-N 2 0 706.555 7.149 1 0 KKAFRP Cc1c2c(nc3ccc(OCC[NH+]4CCCCC4)cc13)-c1cc3cc(OCC[NH+]4CCCCC4)ccc3n1C2 ZINC000026397491 561787369 /nfs/dbraw/zinc/78/73/69/561787369.db2.gz NRGOBBDGCTZYDJ-UHFFFAOYSA-N 2 0 524.709 6.256 1 0 KKAFRP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCCCCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000026401514 561788454 /nfs/dbraw/zinc/78/84/54/561788454.db2.gz MVRKCZPRKBNFHA-LJAQVGFWSA-N 2 0 528.785 7.782 1 0 KKAFRP [NH3+]CCCN1c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2C(c2ccccc2)=N[C@@H](CC[NH3+])C1=O ZINC000026491870 561793593 /nfs/dbraw/zinc/79/35/93/561793593.db2.gz ZSXXLRCQJZBXSP-HKBQPEDESA-N 2 0 531.704 5.144 1 0 KKAFRP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2Cc2ccc(Cn3c4ccccc4nc3-c3ccc(OCCC[NH+](CC)CC)cc3)cc2)cc1 ZINC000026569530 561797781 /nfs/dbraw/zinc/79/77/81/561797781.db2.gz KILHLNJNPKNQHO-UHFFFAOYSA-N 2 0 749.016 10.038 1 0 KKAFRP CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(CC)Cc4ccccc4)C3)cc2)C1 ZINC000026739801 561817909 /nfs/dbraw/zinc/81/79/09/561817909.db2.gz VPAVMJLWTAZZAC-LQFQNGICSA-N 2 0 594.844 6.208 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)[C@@H](c2cccc(-c3cccnc3)c2)C1C(=O)OCC ZINC000026744367 561818529 /nfs/dbraw/zinc/81/85/29/561818529.db2.gz DFYRHGJYRCVNFA-RFRSNRLQSA-N 2 0 525.649 6.062 1 0 KKAFRP Cn1nnnc1-c1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026822216 561821377 /nfs/dbraw/zinc/82/13/77/561821377.db2.gz HJLBYGARYJZYPE-AJQTZOPKSA-N 2 0 556.799 5.323 1 0 KKAFRP O[C@H](C[NH2+]CCCCCC[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)COc1cccc2ccccc21 ZINC000027089637 561837088 /nfs/dbraw/zinc/83/70/88/561837088.db2.gz BURGJUYFBCVNFV-NDKRRWIDSA-N 2 0 594.718 7.548 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000027298351 561848642 /nfs/dbraw/zinc/84/86/42/561848642.db2.gz PQRZSPMLPNRTTB-SKDBZILTSA-N 2 0 589.737 5.140 1 0 KKAFRP [NH2+]=C(NC1CCCC1)c1ccc2[nH]c(-c3ccc(-c4nc5cc(C(=[NH2+])NC6CCCC6)ccc5[nH]4)o3)nc2c1 ZINC000027304706 561849379 /nfs/dbraw/zinc/84/93/79/561849379.db2.gz SEKATPONOCLPPU-UHFFFAOYSA-N 2 0 520.641 6.081 1 0 KKAFRP CN(CCCCCCCCN(C)C(=O)CCCCC[NH2+]CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCC[NH3+] ZINC000027411854 561856430 /nfs/dbraw/zinc/85/64/30/561856430.db2.gz PLHLCEHTTQIHQR-UHFFFAOYSA-N 2 0 649.881 5.239 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCC[N@@H+](C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421277 561857687 /nfs/dbraw/zinc/85/76/87/561857687.db2.gz IMWCKHQQVPILQC-SAKQCVITSA-N 2 0 679.906 6.213 1 0 KKAFRP COc1ccccc1C[NH2+]CCCCCC(=O)NCCCCCCCCNC(=O)CCCCC[NH2+]Cc1ccccc1OC ZINC000027421984 561857832 /nfs/dbraw/zinc/85/78/32/561857832.db2.gz MMJRYNURNQIZRV-UHFFFAOYSA-N 2 0 610.884 6.277 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425204 561858248 /nfs/dbraw/zinc/85/82/48/561858248.db2.gz KJKZOKVFJPDHQM-GDDOFHFPSA-N 2 0 679.906 6.291 1 0 KKAFRP Cc1cccc2c(NCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c3c([nH+]c12)CCCC3 ZINC000027424821 561858265 /nfs/dbraw/zinc/85/82/65/561858265.db2.gz IBPCNBFSYZVMCT-UHFFFAOYSA-N 2 0 506.738 8.324 1 0 KKAFRP C[N@H+](CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](c1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000027441949 561860795 /nfs/dbraw/zinc/86/07/95/561860795.db2.gz MQKHVKMWIBXXJD-MHZLTWQESA-N 2 0 541.624 6.890 1 0 KKAFRP O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H](C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517541 561861321 /nfs/dbraw/zinc/86/13/21/561861321.db2.gz SIRMQLLMKUZYMJ-IHLOFXLRSA-N 2 0 609.699 7.382 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCC[C@H](C)C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526322 561866336 /nfs/dbraw/zinc/86/63/36/561866336.db2.gz KTSCUAMGSPLOJT-CHJDUVSTSA-N 2 0 581.704 5.810 1 0 KKAFRP Clc1ccc2c(c1)nccc2NCCC[NH+]1CCN(CCC[NH2+]Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000027628227 561873489 /nfs/dbraw/zinc/87/34/89/561873489.db2.gz MWTPSHKQAAFMAV-UHFFFAOYSA-N 2 0 544.143 6.280 1 0 KKAFRP [NH3+]CCCSC[C@H](COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1)SCCC[NH3+] ZINC000027655688 561877447 /nfs/dbraw/zinc/87/74/47/561877447.db2.gz FZIQVWVPTTVWKF-SANMLTNESA-N 2 0 560.789 6.066 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[NH+](CCCCCCCCCC[N@H+]1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c4c(ccc3OC)C1)C2 ZINC000027711936 561879774 /nfs/dbraw/zinc/87/97/74/561879774.db2.gz XTXRFZVMWNLBLL-XXPXGFABSA-N 2 0 698.945 7.230 1 0 in-vivo KKAFRP c1ccc(CC[NH+]2CCC(CCCn3c(COc4ccccc4)nc4c3cccc4OCCC[NH+]3CCCCC3)CC2)cc1 ZINC000027718420 561880415 /nfs/dbraw/zinc/88/04/15/561880415.db2.gz ZGXFIXUHAAJWGX-UHFFFAOYSA-N 2 0 594.844 7.605 1 0 KKAFRP c1cc(C[n+]2ccc(N3CCCCCC3)cc2)ccc1CCc1ccc(C[n+]2ccc(N3CCCCCC3)cc2)cc1 ZINC000027865473 561887713 /nfs/dbraw/zinc/88/77/13/561887713.db2.gz BODHLKVVDAHGHU-UHFFFAOYSA-N 2 0 560.830 6.904 1 0 KKAFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCC2)nc1 ZINC000027875430 561888548 /nfs/dbraw/zinc/88/85/48/561888548.db2.gz KSGBAIZRMHXEOZ-KKLWWLSJSA-N 2 0 611.852 7.910 1 0 KKAFRP COC(=O)CCCN(c1ccc2c(c1)[nH+]c(C)n2Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(C(C)=[NH2+])CC1 ZINC000028099292 561901292 /nfs/dbraw/zinc/90/12/92/561901292.db2.gz ZXRXOVXEQHMMRL-UHFFFAOYSA-N 3 0 553.711 5.051 1 0 KKAFRP COc1cc(Cc2c3ccc(F)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028222161 561907394 /nfs/dbraw/zinc/90/73/94/561907394.db2.gz YKGKVJMPAPWHPK-UHFFFAOYSA-N 2 0 544.736 7.377 1 0 KKAFRP NC(=O)c1ccc2[nH]cc(C3=CC[C@H]([NH2+]CCCCC[NH2+][C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc65)CC4)CC3)c2c1 ZINC000028252331 561911126 /nfs/dbraw/zinc/91/11/26/561911126.db2.gz FXKBWZCJAKRZGY-SVBPBHIXSA-N 2 0 578.761 5.769 1 0 KKAFRP CC[N@H+](CCCNC1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1 ZINC000028331031 561912725 /nfs/dbraw/zinc/91/27/25/561912725.db2.gz YXAMYMSRDBPPGO-UHFFFAOYSA-N 2 0 504.162 6.481 1 0 KKAFRP Cc1cc(Cl)c2cc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CC[NH2+]CC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)ccc2n1 ZINC000028455603 561923581 /nfs/dbraw/zinc/92/35/81/561923581.db2.gz AFMIYSIQIPKOSA-PSXMRANNSA-N 2 0 709.247 5.942 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(C[n+]3ccc(N(C)c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000028458673 561924530 /nfs/dbraw/zinc/92/45/30/561924530.db2.gz JRQFBXKZRMQBSO-UHFFFAOYSA-N 2 0 541.526 7.201 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(NC(=O)NCC[NH2+]C3CCN(c4ccccc4SC)CC3)c2)C1C(=O)OC ZINC000028458504 561924536 /nfs/dbraw/zinc/92/45/36/561924536.db2.gz BJKLGPZVKHATJB-IQKFOVTFSA-N 2 0 607.777 5.210 1 0 KKAFRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028475203 561927757 /nfs/dbraw/zinc/92/77/57/561927757.db2.gz INQGOZPUMJRPOU-YZNIXAGQSA-N 2 0 597.587 5.056 1 0 KKAFRP CN(c1ccccc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccccc5)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000028477403 561928489 /nfs/dbraw/zinc/92/84/89/561928489.db2.gz NIYOYRDYBAZESS-UHFFFAOYSA-N 2 0 717.744 11.174 1 0 in-vivo KKAFRP COc1cc(-c2cc(SC)n(-c3nc(N4CC[NH+](Cc5ccccc5)CC4)nc(N4CC[NH+](Cc5ccccc5)CC4)n3)n2)cc(OC)c1OC ZINC000028528064 561932773 /nfs/dbraw/zinc/93/27/73/561932773.db2.gz JAASTWRHKRJCHC-UHFFFAOYSA-N 2 0 707.905 5.116 1 0 KKAFRP CC(C)C[C@@H](C[NH2+]CCCCCC[NH2+]C[C@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523668 561930252 /nfs/dbraw/zinc/93/02/52/561930252.db2.gz RXFUTRCCDZKXFK-NSOVKSMOSA-N 2 0 602.820 5.643 1 0 KKAFRP FC(F)(F)c1ccc(CC[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028523561 561930257 /nfs/dbraw/zinc/93/02/57/561930257.db2.gz ISRYLULACQBAPM-SANMLTNESA-N 2 0 527.597 6.548 1 0 KKAFRP C[NH+](C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)nc1)C(=O)CCC1CCCC1 ZINC000028469532 561926764 /nfs/dbraw/zinc/92/67/64/561926764.db2.gz LMMOFHQHKOIXQF-UHFFFAOYSA-N 2 0 512.742 5.942 1 0 KKAFRP CCC([NH3+])(CC)CCc1ccc(-c2ccnc(Nc3ccc(C(=O)N4CCC([NH+]5CCCC5)CC4)cc3)n2)s1 ZINC000028564211 561935601 /nfs/dbraw/zinc/93/56/01/561935601.db2.gz OHOGGIZZDHRWBN-UHFFFAOYSA-N 2 0 546.785 6.099 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646422 561945357 /nfs/dbraw/zinc/94/53/57/561945357.db2.gz SHSTUQYXVMYBBE-UUWRZZSWSA-N 2 0 596.757 6.829 1 0 KKAFRP Fc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000028646168 561944810 /nfs/dbraw/zinc/94/48/10/561944810.db2.gz GCQHKDQJFHYIED-PSXMRANNSA-N 2 0 556.814 6.611 1 0 KKAFRP C[NH+]1CCN([C@@H](CN2CC[NH+](CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646110 561944832 /nfs/dbraw/zinc/94/48/32/561944832.db2.gz HACIOHWUGCOLEL-YTTGMZPUSA-N 2 0 502.722 5.298 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCCc3c(O)ccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646266 561944886 /nfs/dbraw/zinc/94/48/86/561944886.db2.gz XLLUJHDMWQXGMF-JGCGQSQUSA-N 2 0 532.748 5.392 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCC[NH+](C)Cc1ccc(F)cc1 ZINC000028714107 561954598 /nfs/dbraw/zinc/95/45/98/561954598.db2.gz IQJFWBFLHKBIGS-WHMCYVJPSA-N 2 0 604.855 6.655 1 0 KKAFRP CC(C)[C@H]([NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028824151 561969202 /nfs/dbraw/zinc/96/92/02/561969202.db2.gz DBGRIWDPDVYMIO-ARNLJNQMSA-N 2 0 555.060 5.452 1 0 KKAFRP CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(Cl)cc2Cl)CC1 ZINC000028825735 561970876 /nfs/dbraw/zinc/97/08/76/561970876.db2.gz SZFCZNQFLVLSTR-FCHUYYIVSA-N 2 0 531.450 5.277 1 0 KKAFRP C[NH+]1CCC[C@H]1c1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc([C@@H]4CCC[N@H+]4C)c3)cc2)c1 ZINC000028861791 561971731 /nfs/dbraw/zinc/97/17/31/561971731.db2.gz UBPMTQBRZZVPHI-HEVIKAOCSA-N 4 0 512.786 5.841 1 0 KKAFRP C[NH+](C)CCNC(=O)c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@H]3F)c2c(Oc2ccc(Cl)cc2)c1 ZINC000028889940 561978234 /nfs/dbraw/zinc/97/82/34/561978234.db2.gz LCZSVWVBTWTZNJ-UQBPGWFLSA-N 2 0 523.052 5.479 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH+](C)Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028954025 561982860 /nfs/dbraw/zinc/98/28/60/561982860.db2.gz OAUKSKAYBDDXLI-IHLOFXLRSA-N 2 0 552.207 5.138 1 0 KKAFRP CC(=O)N(Cc1ccncc1)CC1([NH+]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954036 561982965 /nfs/dbraw/zinc/98/29/65/561982965.db2.gz JZSMIXXQZDFUGS-JSOSNVBQSA-N 2 0 580.217 5.055 1 0 KKAFRP CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3C[NH+]3CCCCC3)CC2)C1 ZINC000028959720 561983976 /nfs/dbraw/zinc/98/39/76/561983976.db2.gz HDFXTRWAPSCSBM-WUFINQPMSA-N 2 0 509.138 5.099 1 0 KKAFRP Oc1cccc2c3ccnc(C4=C[C@@]5(O)CCCCCCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7CCCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000028970306 561985798 /nfs/dbraw/zinc/98/57/98/561985798.db2.gz BHRFYFSYVSXAIC-LMPWOBKPSA-N 2 0 568.806 7.009 1 0 KKAFRP CN(CCCOc1c(Br)cc(CC[NH+](C)C)cc1Br)C(=O)/C=C/c1ccc(OCCC[NH+](C)C)c(Br)c1 ZINC000028969839 561985845 /nfs/dbraw/zinc/98/58/45/561985845.db2.gz AWJCEHBDNXBPBM-PKNBQFBNSA-N 2 0 704.342 6.349 1 0 KKAFRP CCCC[C@H](CC)C[NH+]=c1ccn(CCCCCCCn2ccc(=[NH+]C[C@@H](CC)CCCC)cc2)cc1 ZINC000029235812 562009637 /nfs/dbraw/zinc/00/96/37/562009637.db2.gz GSZHDSXJDBUCGK-CONSDPRKSA-N 2 0 508.839 8.175 1 0 KKAFRP Clc1ccc([NH+]=c2ccn(CCCCCCCCCn3ccc(=[NH+]c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029237939 562009890 /nfs/dbraw/zinc/00/98/90/562009890.db2.gz PJKPZEFDEAGFKT-UHFFFAOYSA-N 2 0 533.547 8.492 1 0 KKAFRP C[NH+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCCCCCCOC(=O)[C@H]2C[N@H+](C)CC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000029397030 562018838 /nfs/dbraw/zinc/01/88/38/562018838.db2.gz OWEVFHDZQFKJLN-ZRTHHSRSSA-N 2 0 617.658 7.191 1 0 KKAFRP CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)[N@H+](C)C1CCCCC1 ZINC000029476556 562026497 /nfs/dbraw/zinc/02/64/97/562026497.db2.gz AYVXCTTVJWTRPT-HEVIKAOCSA-N 2 0 590.853 5.574 1 0 KKAFRP COC(=O)Oc1ccc(CC[NH+]2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029560849 562033076 /nfs/dbraw/zinc/03/30/76/562033076.db2.gz RHPOMFKGCSPNLF-UHFFFAOYSA-N 2 0 502.590 5.488 1 0 KKAFRP CCN(C(=O)c1ccccc1)C(=O)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@@H](C(=O)N(CC)C(=O)c4ccccc4)C3)cc2)C1 ZINC000029548645 562030508 /nfs/dbraw/zinc/03/05/08/562030508.db2.gz YCGNDFOYUIBXSD-KKLWWLSJSA-N 2 0 622.810 5.488 1 0 KKAFRP CC[n+]1cccc2cc(NC(=O)/C=C/c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)ccc21 ZINC000033956315 562037838 /nfs/dbraw/zinc/03/78/38/562037838.db2.gz ILKRRJADTGELFU-WOJGMQOQSA-P 2 0 502.618 5.512 1 0 KKAFRP CCc1c(CC[NH2+]CCC[C@@H](C)CC[NH2+]CCc2ccc(OC)c(OC)c2CC)ccc(OC)c1OC ZINC000034276409 562038706 /nfs/dbraw/zinc/03/87/06/562038706.db2.gz JGEJSVIRIBXRPM-HSZRJFAPSA-N 2 0 514.751 5.617 1 0 KKAFRP [NH2+]=C(NC1CCCCC1)c1ccc(OCCOCCOc2ccc(C(=[NH2+])NC3CCCCC3)cc2)cc1 ZINC000034803814 562042667 /nfs/dbraw/zinc/04/26/67/562042667.db2.gz WYDVKPQKDATYMO-UHFFFAOYSA-N 2 0 506.691 5.656 1 0 KKAFRP C[NH+](C)Cc1cccc([C@@]23C[C@@H]2C[C@H](N(CCCN2CC[NH+](C)CC2)c2nc4cc(Cl)c(Cl)cc4[nH]2)CC3)c1 ZINC000036351705 562059018 /nfs/dbraw/zinc/05/90/18/562059018.db2.gz OQUSLDHYPYOCKJ-NVDQFQLTSA-N 2 0 569.625 5.886 1 0 KKAFRP C[NH+]1CCC(CC2CCCCC2)(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)CC1 ZINC000038157817 562069425 /nfs/dbraw/zinc/06/94/25/562069425.db2.gz NMKAUOMKZJYMKD-CZNDPXEESA-N 2 0 620.282 5.181 1 0 KKAFRP Clc1ccc2c(c1)[nH+]c1c(c2NCCC[NH2+]CCCOc2cccc3[nH]c4ccccc4c32)CCCC1 ZINC000040408760 562075215 /nfs/dbraw/zinc/07/52/15/562075215.db2.gz LPEKEPLZQKHSPL-UHFFFAOYSA-N 2 0 513.085 7.262 1 0 KKAFRP CCCCCCNC(=O)c1cc[n+](CCCCCCCCCC[n+]2ccc(C(=O)NCCCCCC)cc2)cc1 ZINC000040834942 562080005 /nfs/dbraw/zinc/08/00/05/562080005.db2.gz BCZSFTSQBGHCMW-UHFFFAOYSA-P 2 0 552.848 6.703 1 0 KKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]Cc2ccccc2)CN3c2ccccc2)c2ccccc21 ZINC000040892680 562082920 /nfs/dbraw/zinc/08/29/20/562082920.db2.gz GZSRIFUGJZDLKC-HKBQPEDESA-N 2 0 522.737 5.730 1 0 KKAFRP CC1(C)CC[C@H]([NH+]2CCC3(CC2)C(=O)N(CC[NH2+]CC2CCCCC2)CN3c2ccccc2)c2ccccc21 ZINC000040892674 562082930 /nfs/dbraw/zinc/08/29/30/562082930.db2.gz ILOKCGSVWZJCQZ-HKBQPEDESA-N 2 0 528.785 6.110 1 0 KKAFRP c1ccc(CCc2ccccc2C[NH2+]CCCC[NH2+]CCC[NH2+]Cc2ccccc2CCc2ccccc2)cc1 ZINC000043075259 562645652 /nfs/dbraw/zinc/64/56/52/562645652.db2.gz LTQUMKYKZBIQCO-UHFFFAOYSA-N 3 0 533.804 6.896 1 0 KKAFRP C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[C@]4(C[S@]3=O)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043511423 562648752 /nfs/dbraw/zinc/64/87/52/562648752.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 2 0 510.744 6.321 1 0 KKAFRP O[C@@]12C=C(C3=NCCc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34CC/C=C\CCCC[NH2+][C@H]41)CC/C=C\CCCC2 ZINC000044305013 562653293 /nfs/dbraw/zinc/65/32/93/562653293.db2.gz LRUDBTRYFRCTLQ-BDYONYFUSA-N 2 0 552.807 6.491 1 0 KKAFRP CC[NH+](CCCCCCN1CCN(CCCCCC[N@@H+](CC)Cc2ccccc2OC)C1=O)Cc1ccccc1OC ZINC000044351007 562654427 /nfs/dbraw/zinc/65/44/27/562654427.db2.gz AHIBLNIHLALZKU-UHFFFAOYSA-N 2 0 580.858 6.906 1 0 KKAFRP O=C(NCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)[C@@H]1CCC[N@@H+]1CCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000044351048 562654440 /nfs/dbraw/zinc/65/44/40/562654440.db2.gz SQVWHOMDKZAUNJ-DHUJRADRSA-N 3 0 604.843 6.816 1 0 KKAFRP O=[N+]1CCc2c3ccccc3[nH]c2C1=C1C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@]1(C[C@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000044351348 562654613 /nfs/dbraw/zinc/65/46/13/562654613.db2.gz SPQVJBJQVWOEOF-AKCFSLPDSA-N 3 0 566.790 5.706 1 0 KKAFRP COc1cc2ccccc2c(C[NH2+]CCCCCC[NH2+]Cc2c3ccccc3cc(OC)c2OC)c1OC ZINC000045167739 562658074 /nfs/dbraw/zinc/65/80/74/562658074.db2.gz PHUPGTHXCXOSND-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP COc1cc2ccccc2c(OC)c1CC[NH2+]CCCC[NH2+]CCc1c(OC)cc2ccccc2c1OC ZINC000045189273 562658401 /nfs/dbraw/zinc/65/84/01/562658401.db2.gz RDIHMJSDPWFNIL-UHFFFAOYSA-N 2 0 516.682 5.772 1 0 KKAFRP c1ccc(CN2CCC([NH2+]Cc3ccccc3-c3ccc(C[NH2+]Cc4ccc5c(c4)OCO5)cc3)CC2)cc1 ZINC000045190997 562658513 /nfs/dbraw/zinc/65/85/13/562658513.db2.gz JWKMVKNPWANSHJ-UHFFFAOYSA-N 2 0 519.689 6.126 1 0 KKAFRP CC(=O)N(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000045196077 562658915 /nfs/dbraw/zinc/65/89/15/562658915.db2.gz MQDWZMGLJVJRDL-UHFFFAOYSA-N 2 0 531.744 6.699 1 0 KKAFRP c1ccc2c(c1)ccc(OCC1CC1)c2C[NH2+]CCCCCC[NH2+]Cc1c(OCC2CC2)ccc2ccccc21 ZINC000045202553 562659138 /nfs/dbraw/zinc/65/91/38/562659138.db2.gz OYOPUPNFUYEBTO-UHFFFAOYSA-N 2 0 536.760 8.010 1 0 KKAFRP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)c3ccccc23)C1)c1ccc(Cl)c(Cl)c1 ZINC000045209837 562659245 /nfs/dbraw/zinc/65/92/45/562659245.db2.gz LLMYEBLRTYQCOK-QFIPXVFZSA-N 2 0 512.481 5.626 1 0 KKAFRP c1cc(C2=[NH+][C@@H]3CCCC[C@@H]3N2)ccc1OCCCCCOc1ccc(C2=[NH+][C@H]3CCCC[C@@H]3N2)cc1 ZINC000045227894 562659424 /nfs/dbraw/zinc/65/94/24/562659424.db2.gz GNKDQOCCBGUANW-XFTNXAEASA-N 2 0 500.687 5.637 1 0 KKAFRP Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302054 562660570 /nfs/dbraw/zinc/66/05/70/562660570.db2.gz ZYLSWHVDPIIHRZ-GASCZTMLSA-N 2 0 501.077 5.399 1 0 KKAFRP CCCCC[C@H]([NH2+]CCCC)c1ccc(OCCOc2ccc([C@H](CCCCC)[NH2+]CCCC)cc2)cc1 ZINC000045302703 562660651 /nfs/dbraw/zinc/66/06/51/562660651.db2.gz GLYDCQLYYHVEBW-HEVIKAOCSA-N 2 0 524.834 9.167 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(CCCN3CC[NH+](C)CC3)C(=O)/C=C/c3ccccc3)c2)cc1 ZINC000045319709 562661003 /nfs/dbraw/zinc/66/10/03/562661003.db2.gz OXIQENIUUOGTMV-OBGWFSINSA-N 2 0 538.780 5.779 1 0 KKAFRP [NH3+]CCCCCCCC(=O)Nc1ccc(OCCC[NH3+])cc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1 ZINC000045348646 562661690 /nfs/dbraw/zinc/66/16/90/562661690.db2.gz HLRWRQALYITPSJ-UHFFFAOYSA-N 2 0 534.657 5.402 1 0 KKAFRP CC(C)C[NH2+]Cc1ccccc1NC(=O)OC[C@@H](Oc1cccc2sc(C(N)=[NH2+])cc21)c1ccccc1 ZINC000045367597 562662140 /nfs/dbraw/zinc/66/21/40/562662140.db2.gz QGLTXLFHFVMPJH-RUZDIDTESA-N 2 0 516.667 6.300 1 0 in-vitro KKAFRP C[N@H+](CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000045497499 562662789 /nfs/dbraw/zinc/66/27/89/562662789.db2.gz DYIUVKGLWBPAQY-UHFFFAOYSA-N 3 0 521.753 7.167 1 0 KKAFRP COc1ccc2[nH+]c(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)[nH+]c4ccc(OC)cc34)c2c1 ZINC000049605045 562665309 /nfs/dbraw/zinc/66/53/09/562665309.db2.gz VOMZOCWPZFDECG-UHFFFAOYSA-N 2 0 540.667 8.048 1 0 KKAFRP C[C@H](Cc1ccc(C(=O)Nc2ccc(C[C@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]Cc1ccc(Cl)cc1 ZINC000049605260 562665617 /nfs/dbraw/zinc/66/56/17/562665617.db2.gz LATXSWMXNIVTOF-LOSJGSFVSA-N 2 0 574.596 7.730 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@H](C)[NH2+]Cc3ccc(Cl)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605263 562665618 /nfs/dbraw/zinc/66/56/18/562665618.db2.gz LATXSWMXNIVTOF-RPBOFIJWSA-N 2 0 574.596 7.730 1 0 KKAFRP COc1cccc(OC)c1CN1CCC([N@H+](C)CCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)CC1 ZINC000049605358 562665764 /nfs/dbraw/zinc/66/57/64/562665764.db2.gz WOYDDWUUHPCEGI-UHFFFAOYSA-N 2 0 670.939 8.321 1 0 KKAFRP C[C@H](CCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605765 562666341 /nfs/dbraw/zinc/66/63/41/562666341.db2.gz REXBUNUZTPIOJH-RPWUZVMVSA-N 2 0 540.579 7.086 1 0 KKAFRP [NH2+]=C(c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6cc(C(=[NH2+])N7CCSCC7)ccc6[nH]5)cc4)cc3)nc2c1)N1CCSCC1 ZINC000049615847 562666708 /nfs/dbraw/zinc/66/67/08/562666708.db2.gz BUDHWTUEBOQYBM-UHFFFAOYSA-N 2 0 658.857 7.314 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@@H](C)[NH2+]CCc3ccc(C(F)(F)F)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049626028 562666945 /nfs/dbraw/zinc/66/69/45/562666945.db2.gz ZGVNIXGBMKEIHI-CLJLJLNGSA-N 2 0 622.175 8.138 1 0 KKAFRP C[C@H](CCCCCC(=O)Nc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049627072 562667505 /nfs/dbraw/zinc/66/75/05/562667505.db2.gz ZDQZRHIAICGCCU-FTJBHMTQSA-N 2 0 568.633 7.867 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2cccc(-c3cccc(C[NH2+]CCc4ccccc4)c3)c2)C(=O)Nc2ccccc2)CC1 ZINC000049639216 562667689 /nfs/dbraw/zinc/66/76/89/562667689.db2.gz FRASXPXZJMKDKT-UHFFFAOYSA-N 2 0 575.801 6.358 1 0 KKAFRP c1cc(C2=[NH+][C@H]3CCCC[C@H]3N2)cc2[nH]c(CCCCCc3nc4ccc(C5=[NH+][C@H]6CCCC[C@H]6N5)cc4[nH]3)nc12 ZINC000049639229 562667740 /nfs/dbraw/zinc/66/77/40/562667740.db2.gz DDEPKUFAYHQXLI-OQQNJPJOSA-N 2 0 548.739 5.717 1 0 KKAFRP Cc1ccc2c(c1)nc(N1CC[NH2+][C@@H](C)C1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049694461 562669355 /nfs/dbraw/zinc/66/93/55/562669355.db2.gz LOKRMKSVZVZJDI-VWLOTQADSA-N 2 0 563.750 5.199 1 0 KKAFRP C[NH+]1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000049710013 562671524 /nfs/dbraw/zinc/67/15/24/562671524.db2.gz AZIFMCHBJODCKH-UHFFFAOYSA-N 2 0 640.879 5.477 1 0 KKAFRP COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4ccccc4C)[NH+]4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049710195 562671545 /nfs/dbraw/zinc/67/15/45/562671545.db2.gz HOWBEVGJZAWCRC-BCRBLDSWSA-N 2 0 606.811 5.862 1 0 KKAFRP CC(=O)N(Cc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)Cc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000049710412 562671711 /nfs/dbraw/zinc/67/17/11/562671711.db2.gz FXIRTKNQSRVXHH-ISILISOKSA-N 2 0 630.704 8.069 1 0 KKAFRP O=C(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1ccccc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000049711138 562671968 /nfs/dbraw/zinc/67/19/68/562671968.db2.gz PVNHVSSLUHUEBD-UHFFFAOYSA-N 2 0 710.974 5.570 1 0 KKAFRP CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c21 ZINC000049711739 562672065 /nfs/dbraw/zinc/67/20/65/562672065.db2.gz LBARWLHFNPNTFV-NELUWVLVSA-N 2 0 618.910 8.375 1 0 KKAFRP O=C(C[C@@H]([NH2+]CCCCCCCC[NH2+][C@H](CC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000049745940 562674155 /nfs/dbraw/zinc/67/41/55/562674155.db2.gz QCQRCIZXYXWVOZ-LQFQNGICSA-N 2 0 715.722 8.374 1 0 KKAFRP COCC[NH2+]Cc1cccc(-c2ccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000049746116 562674263 /nfs/dbraw/zinc/67/42/63/562674263.db2.gz KQTQCYBYAKZOGT-UHFFFAOYSA-N 2 0 562.758 6.788 1 0 KKAFRP O=C(NCCc1ccccc1)N(Cc1ccccc1-c1cccc(C[NH2+]CCc2ccccc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049746846 562674640 /nfs/dbraw/zinc/67/46/40/562674640.db2.gz JUOBJBQYWNRVAJ-UHFFFAOYSA-N 2 0 636.884 8.105 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)[C@@H](C)C[NH+](C)C)cc1F ZINC000049756027 562674788 /nfs/dbraw/zinc/67/47/88/562674788.db2.gz IIOKVVJSEBSBBR-MHZLTWQESA-N 2 0 610.774 6.170 1 0 KKAFRP CC(C)C(=O)Nc1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049771742 562678394 /nfs/dbraw/zinc/67/83/94/562678394.db2.gz WPWIISSMXMKBEB-ZWNDYYEHSA-N 2 0 633.881 7.450 1 0 KKAFRP COc1ccc(CC[N@H+](C)CCC[C@](C[NH2+]CC2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049777140 562679703 /nfs/dbraw/zinc/67/97/03/562679703.db2.gz CKXNLQJVGHCHFU-PSXMRANNSA-N 2 0 611.868 6.348 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2CCCN2CCC([NH+]3CCCC3)CC2)C1 ZINC000049793493 562684895 /nfs/dbraw/zinc/68/48/95/562684895.db2.gz MHVNYNUTMUHLOQ-UHFFFAOYSA-N 2 0 682.923 5.415 1 0 KKAFRP C[NH+]1CCc2ccccc2Cc2ccc(OCCCOc3ccc4c(c3)CC[N@H+](C)CCc3ccccc3C4)cc2CC1 ZINC000049803067 562686027 /nfs/dbraw/zinc/68/60/27/562686027.db2.gz OGFANFTYHBKIPN-UHFFFAOYSA-N 2 0 574.809 6.777 1 0 KKAFRP C[NH+](C)CCCNc1ccc2c3c1cccc3C(=O)N(CCC[NH+](C)CCCN1C(=O)c3cccc4c(NCCC[NH+](C)C)ccc(c43)C1=O)C2=O ZINC000049833561 562687881 /nfs/dbraw/zinc/68/78/81/562687881.db2.gz DXRUENMPYGQZEZ-UHFFFAOYSA-N 3 0 705.904 5.324 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000049841229 562688123 /nfs/dbraw/zinc/68/81/23/562688123.db2.gz IFRDHHIQTSNIJG-UHFFFAOYSA-N 2 0 645.815 8.890 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841428 562688318 /nfs/dbraw/zinc/68/83/18/562688318.db2.gz HWBGBIQGALATDY-HKXOCFPISA-N 2 0 680.934 7.419 1 0 KKAFRP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000049841429 562688334 /nfs/dbraw/zinc/68/83/34/562688334.db2.gz HWBGBIQGALATDY-UQYIXSGBSA-N 2 0 680.934 7.419 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)C[NH+]5CCCC5)cc4)cc3)cc2)cc1 ZINC000049872456 562690043 /nfs/dbraw/zinc/69/00/43/562690043.db2.gz BYTIJUMPLZWECI-UHFFFAOYSA-N 2 0 702.816 5.904 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CC[NH+]4C)c(OC)cc3CC[N@H+]2C)cc1O ZINC000049898607 562692701 /nfs/dbraw/zinc/69/27/01/562692701.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 2 0 670.803 6.477 1 0 KKAFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000049899465 562693137 /nfs/dbraw/zinc/69/31/37/562693137.db2.gz IMNAYTZSJCRZIO-RLRCJDGOSA-N 2 0 739.983 5.167 1 0 in-vitro KKAFRP CCC[NH+]1CCc2cccc3c2[C@H]1Cc1cccc(OC(=O)CCCC(=O)Oc2ccc4c(c2)-c2cccc5c2[C@@H](C4)[N@H+](CCC)CC5)c1-3 ZINC000049899524 562693174 /nfs/dbraw/zinc/69/31/74/562693174.db2.gz MFYPDFYITWHTII-FZNHDDJXSA-N 2 0 654.851 8.433 1 0 KKAFRP [NH3+]CCc1c2c(ccc(O)c2[C@H](C[NH3+])c2c[nH]c3cc(Br)ccc32)[nH]c1[C@H](C[NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000049899643 562693319 /nfs/dbraw/zinc/69/33/19/562693319.db2.gz KJQYELPBSPDCOH-NHCUHLMSSA-N 3 0 650.419 6.044 1 0 KKAFRP C[C@H](Cc1ccc(CCc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000049917570 562693536 /nfs/dbraw/zinc/69/35/36/562693536.db2.gz TZPFMSDIUQASNN-NIHKYILBSA-N 2 0 605.650 7.287 1 0 KKAFRP COc1c2ccccc2c(C[NH2+]CCCCCC[NH2+]Cc2c3ccccc3c(OC)c(OC)c2OC)c(OC)c1OC ZINC000049917833 562693994 /nfs/dbraw/zinc/69/39/94/562693994.db2.gz OWHLSAVLKLYDSQ-UHFFFAOYSA-N 2 0 576.734 6.484 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000049917906 562694160 /nfs/dbraw/zinc/69/41/60/562694160.db2.gz UKQSJUWTNYLSCB-UHFFFAOYSA-N 3 0 615.866 6.416 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000049937630 562695010 /nfs/dbraw/zinc/69/50/10/562695010.db2.gz HWYQOUFONYZMHA-CKOYEXALSA-N 2 0 650.695 5.525 1 0 KKAFRP Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CC[NH+](CCCCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049938145 562695119 /nfs/dbraw/zinc/69/51/19/562695119.db2.gz VUMJJMZJSPFDOG-UHFFFAOYSA-N 2 0 650.673 5.149 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000049942266 562695421 /nfs/dbraw/zinc/69/54/21/562695421.db2.gz ZHNVEXZKXNWTHM-IJERKEDCSA-N 3 0 725.911 7.980 1 0 KKAFRP NC1=[NH+]C[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=[NH2+] ZINC000058468606 562697940 /nfs/dbraw/zinc/69/79/40/562697940.db2.gz OCUVBNBZPYQEBS-SPWOZAQASA-N 3 0 722.809 7.227 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@H+](C)CCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058522358 562698578 /nfs/dbraw/zinc/69/85/78/562698578.db2.gz YFDJQAZBRSGJIT-FTJBHMTQSA-N 3 0 594.247 8.547 1 0 KKAFRP CCC[NH+](CCC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000058563915 562699402 /nfs/dbraw/zinc/69/94/02/562699402.db2.gz WPFJNBQSGBXUAA-ILJQZKEFSA-N 2 0 560.818 5.994 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@H+](C)CCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000058638793 562701199 /nfs/dbraw/zinc/70/11/99/562701199.db2.gz DLMKTWKCMCVAMJ-RPBOFIJWSA-N 3 0 628.692 9.201 1 0 KKAFRP CCCC[C@@H]1CN([C@H](CC2CCCCC2)C[N@@H+]2CCC[C@H]2CN2C(N)=[NH+]C[C@@H]2C)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685468 562701544 /nfs/dbraw/zinc/70/15/44/562701544.db2.gz RMUPNRJFGFALOJ-DPGPWOJDSA-N 3 0 685.846 7.200 1 0 KKAFRP Cc1c(C(=O)NCCCCCCC[N@H+](C)CCCCCCC[NH3+])nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000064512195 562706227 /nfs/dbraw/zinc/70/62/27/562706227.db2.gz JGRAAQQKBSBAQR-UHFFFAOYSA-N 2 0 621.097 8.329 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCC[NH+]4CCN(c5ccccc5)CC4)nn2)c1-3 ZINC000066074418 562709856 /nfs/dbraw/zinc/70/98/56/562709856.db2.gz BEKQWPIRNPOIER-YTTGMZPUSA-N 2 0 562.762 5.602 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCC[NH+]2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077226 562710263 /nfs/dbraw/zinc/71/02/63/562710263.db2.gz SNXPYOZDXRKEER-PMERELPUSA-N 2 0 525.737 6.209 1 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+]CCNCC[NH2+]CCC[C@@H](C)Nc2cc(OC)cc3cccnc32)c1 ZINC000066157320 562713935 /nfs/dbraw/zinc/71/39/35/562713935.db2.gz JJFDWZFWKICBDZ-CLJLJLNGSA-N 2 0 587.813 5.430 1 0 KKAFRP CC[NH+](CC)CCCCCCCOc1ccc(C(=O)c2ccc(C[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000071317124 562718162 /nfs/dbraw/zinc/71/81/62/562718162.db2.gz SDRNTFZOPOEUSB-UHFFFAOYSA-N 2 0 500.727 7.221 1 0 KKAFRP O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[N@H+](CCCc2ccc(OCCC[NH+]3CCCCCC3)cc2)CC1 ZINC000071317207 562718171 /nfs/dbraw/zinc/71/81/71/562718171.db2.gz REXVRCXDIWIKGL-UUWRZZSWSA-N 2 0 641.300 7.945 1 0 KKAFRP C[N@H+](CCCCc1ccc(OCCC[NH+]2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O ZINC000071318496 562718501 /nfs/dbraw/zinc/71/85/01/562718501.db2.gz QQERDUJEEYWVED-UHFFFAOYSA-N 2 0 615.262 7.240 1 0 KKAFRP c1ccc2c(c1)CCN(c1cc[n+](Cc3ccc(C[n+]4ccc(N5CCc6ccccc6C5)cc4)cc3)cc1)C2 ZINC000071341568 562719995 /nfs/dbraw/zinc/71/99/95/562719995.db2.gz YWVBXNJTHBWVKZ-UHFFFAOYSA-N 2 0 524.712 5.484 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(F)cc2)C2CC[NH+](Cc3ccc4ccccc4n3)CC2)CC1 ZINC000072100116 562720235 /nfs/dbraw/zinc/72/02/35/562720235.db2.gz LPXYEMDNYLWJPE-KXQOOQHDSA-N 2 0 699.937 6.859 1 0 KKAFRP O=C(C[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072121410 562724209 /nfs/dbraw/zinc/72/42/09/562724209.db2.gz DIWGQLKDVUAWID-UHFFFAOYSA-N 2 0 527.628 5.513 1 0 KKAFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1CC[N@H+](C)[C@@H]3C2 ZINC000084653888 562747063 /nfs/dbraw/zinc/74/70/63/562747063.db2.gz KDAKERGIGVRSPM-FQLXRVMXSA-N 2 0 594.708 6.517 1 0 KKAFRP O=C(CC[NH2+]CCNc1c2ccccc2[nH+]c2c1CCCC2)N1CCN(CCNc2c3ccccc3[nH+]c3c2CCCC3)CC1 ZINC000084669604 562748052 /nfs/dbraw/zinc/74/80/52/562748052.db2.gz YVSGFEGOSAGMBU-UHFFFAOYSA-N 3 0 605.831 5.189 1 0 KKAFRP c1nc(-c2ccc(C[NH+]3CCCCCC3)cc2)oc1-c1cccc(-c2cnc(-c3ccc(C[NH+]4CCCCCC4)cc3)o2)c1 ZINC000084687441 562748919 /nfs/dbraw/zinc/74/89/19/562748919.db2.gz GVGXONRZJLMOKR-UHFFFAOYSA-N 2 0 586.780 9.083 1 0 KKAFRP C[NH+](C)CCN1C(=O)c2cccc3c(NCCCCCCNC(=O)c4ccc(N5CC[NH+](CC=C(c6ccccc6)c6ccccc6)CC5)cc4)ccc(c32)C1=O ZINC000095536800 562754167 /nfs/dbraw/zinc/75/41/67/562754167.db2.gz KCBMXFUYGWSTAA-UHFFFAOYSA-N 2 0 762.999 7.654 1 0 KKAFRP [NH3+]CCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095539585 562755182 /nfs/dbraw/zinc/75/51/82/562755182.db2.gz WFYIZTPIVKULTE-UWXQCODUSA-N 2 0 804.770 7.143 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000095539800 562755302 /nfs/dbraw/zinc/75/53/02/562755302.db2.gz ACVCCPNAZMTMNO-UHFFFAOYSA-N 2 0 745.798 11.292 1 0 in-vivo KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2cc(C[n+]3ccc(N(C)c4ccc(Cl)cc4)cc3)cc(C[n+]3ccc(N(C)c4ccc(Cl)cc4)cc3)c2)cc1 ZINC000095539916 562755397 /nfs/dbraw/zinc/75/53/97/562755397.db2.gz SLCBAPMLDCMOFC-UHFFFAOYSA-N 3 0 773.232 9.958 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000095540158 562755562 /nfs/dbraw/zinc/75/55/62/562755562.db2.gz CTKHDPMIGAOJIP-UHFFFAOYSA-N 2 0 786.634 12.481 1 0 in-vivo KKAFRP CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C(=[NH2+])N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540219 562755596 /nfs/dbraw/zinc/75/55/96/562755596.db2.gz AUVBVPKFTGJIST-PRURZLHWSA-N 3 0 805.956 8.848 1 0 KKAFRP CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CC[NH+](C)CC4)c(C)c3oc2=O)ccc1OCC[NH+](C)C ZINC000095581482 562772169 /nfs/dbraw/zinc/77/21/69/562772169.db2.gz QLGAMBCBWLKJCC-UHFFFAOYSA-N 2 0 547.696 5.276 1 0 KKAFRP Cc1cc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc2)cc(C)[nH+]1 ZINC000095588226 562774598 /nfs/dbraw/zinc/77/45/98/562774598.db2.gz SJJFXSUXRJEGBC-XGJRVREISA-N 2 0 508.666 5.495 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@H]1CCC[N@@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095612956 562785943 /nfs/dbraw/zinc/78/59/43/562785943.db2.gz CISZZHPGYPWFDW-IVMGJWPSSA-N 3 0 769.923 8.406 1 0 KKAFRP CCC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCC)c5)c(OC)c4)cc3)cc2OC)c1 ZINC000095890988 562790191 /nfs/dbraw/zinc/79/01/91/562790191.db2.gz GCUYUESGPGLUSD-UHFFFAOYSA-P 2 0 702.812 6.108 1 0 KKAFRP CCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)c(N)c3)ccc21 ZINC000095882167 562790201 /nfs/dbraw/zinc/79/02/01/562790201.db2.gz HFVFQWSJVUYQAI-UHFFFAOYSA-P 2 0 547.703 6.255 1 0 KKAFRP CC[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CC)c5)cc4)c(OC)c3)cc2)c1 ZINC000095891081 562790246 /nfs/dbraw/zinc/79/02/46/562790246.db2.gz APLWKZXNUIFYIE-UHFFFAOYSA-P 2 0 644.732 5.319 1 0 KKAFRP C#[N+]c1ccc(C(=O)NC2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174063 562791567 /nfs/dbraw/zinc/79/15/67/562791567.db2.gz RUUPNZWUOHJCEB-UHFFFAOYSA-N 2 0 552.642 5.998 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCC(F)(F)CC1)nc(C1CCCCC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000096285777 562795909 /nfs/dbraw/zinc/79/59/09/562795909.db2.gz RBIVSCSLAAWBKB-UHFFFAOYSA-N 2 0 559.746 6.471 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000096900361 562796841 /nfs/dbraw/zinc/79/68/41/562796841.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 2 0 751.880 8.854 1 0 KKAFRP CC(C)(C)c1ccc(-c2cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)cc(-c3cc(OCCC[NH3+])cc(OCCC[NH3+])c3)c2)cc1 ZINC000096922780 562801892 /nfs/dbraw/zinc/80/18/92/562801892.db2.gz LLTCTTBEJWYBGX-UHFFFAOYSA-N 4 0 654.896 6.896 1 0 KKAFRP O=C(CCc1ccccc1O)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)CCc1ccccc1O ZINC000096935035 562803989 /nfs/dbraw/zinc/80/39/89/562803989.db2.gz SUPDFRQHPWZCIF-UHFFFAOYSA-N 2 0 610.884 5.756 1 0 KKAFRP O=C(CCc1ccccc1)NCCC[NH2+]CCCCCCCCCCCC[NH2+]CCCNC(=O)CCc1ccccc1 ZINC000096935034 562804020 /nfs/dbraw/zinc/80/40/20/562804020.db2.gz JUBYMDHTMMQDKL-UHFFFAOYSA-N 2 0 578.886 6.345 1 0 KKAFRP C[NH+](C)CCN1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696367 562811881 /nfs/dbraw/zinc/81/18/81/562811881.db2.gz QTEAHOAHKMIVFU-UHFFFAOYSA-N 2 0 639.822 5.172 1 0 KKAFRP CCC(=C(c1ccc(OCC[NH+](CC)CC)cc1)c1ccc(OCC[NH+](CC)CC)cc1)c1ccccc1 ZINC000103230562 562818180 /nfs/dbraw/zinc/81/81/80/562818180.db2.gz MAJOFDVNXBQILR-UHFFFAOYSA-N 2 0 514.754 7.497 1 0 KKAFRP Clc1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1ccc(-c2[nH]c3cc(C4=[NH+]CCN4)ccc3c2Cl)cc1 ZINC000103251419 562820363 /nfs/dbraw/zinc/82/03/63/562820363.db2.gz BUAGOTQWXVVHAB-UHFFFAOYSA-N 2 0 513.432 5.990 1 0 KKAFRP CC(C)(C)C1CCC(CN2C(=[NH2+])N(CCCC[C@H]3C[NH+]=C(N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1 ZINC000103252561 562820421 /nfs/dbraw/zinc/82/04/21/562820421.db2.gz ZVJWWFYYHLRZLE-VJUQQTGUSA-N 2 0 577.906 6.747 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1 ZINC000114723044 562828453 /nfs/dbraw/zinc/82/84/53/562828453.db2.gz SSLXPYJEUFJLCI-UHFFFAOYSA-N 2 0 505.578 5.038 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[N@H+](C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795433 562830673 /nfs/dbraw/zinc/83/06/73/562830673.db2.gz OQQLKHVTFRESEW-BHYPCEDZSA-N 2 0 576.181 6.949 1 0 KKAFRP F[C@@H]1CNC(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=[NH+]C[C@@H](F)CN7)cc6[nH]5)cc4)oc3c2)=[NH+]C1 ZINC000143820355 562835295 /nfs/dbraw/zinc/83/52/95/562835295.db2.gz YCBFOFFHHKXNQO-UHFFFAOYSA-N 2 0 509.560 5.624 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCCN2CC[NH+](C3CC3)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000147324090 562839267 /nfs/dbraw/zinc/83/92/67/562839267.db2.gz STTMNXBGPHZZKN-LWPCESSHSA-N 2 0 630.636 5.169 1 0 KKAFRP Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CC[NH+](C(C)C)CC6)c(C(F)(F)F)cc5[nH]4)c3N)ccc2[nH]1 ZINC000149900266 562842817 /nfs/dbraw/zinc/84/28/17/562842817.db2.gz JHNXJFLNZAUFGJ-UHFFFAOYSA-N 2 0 549.601 5.958 1 0 KKAFRP CC(C)(c1cc(Br)c(OC[C@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@H](O)C[NH+]2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572383 562845154 /nfs/dbraw/zinc/84/51/54/562845154.db2.gz NEYJXFWMMBBXBO-CLJLJLNGSA-N 2 0 942.375 6.220 1 0 KKAFRP O=C(CCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2oc3ccc(C(=O)CCC[NH+]4CCC(Cc5ccccc5)CC4)cc3c2c1 ZINC000162749277 562849291 /nfs/dbraw/zinc/84/92/91/562849291.db2.gz CWJQRVXCCXDZAL-UHFFFAOYSA-N 2 0 654.895 9.421 1 0 KKAFRP O=C(CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Nc1ccc(C[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c(Cl)c1 ZINC000163095184 562849298 /nfs/dbraw/zinc/84/92/98/562849298.db2.gz NUZGHPRAJRDAHI-DHUJRADRSA-N 2 0 710.231 6.419 1 0 KKAFRP CC(C)[NH+]1CCC(C(=O)Nc2cc(Oc3ccc4c(c3)[nH+]c(Nc3cccc(C(C)(C)C)c3)n4C)ccn2)CC1 ZINC000167132045 562850652 /nfs/dbraw/zinc/85/06/52/562850652.db2.gz XTXLNRXRPGKTRM-UHFFFAOYSA-N 2 0 540.712 6.861 1 0 KKAFRP COc1ccc(CNC(=O)C[C@H]2c3ccccc3[NH+]=C(N(C)CCCCCC[NH+](C)C)N2c2ccc3ccccc3c2)cc1 ZINC000169307067 562853709 /nfs/dbraw/zinc/85/37/09/562853709.db2.gz UHSZBGURGQNOEP-DHUJRADRSA-N 2 0 591.800 7.158 1 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@@H](C)CCC[NH2+][C@@H](C)CCC[NH3+])c1 ZINC000169321377 562856641 /nfs/dbraw/zinc/85/66/41/562856641.db2.gz ZHVZSKZRPGTWQL-QEGGNFSNSA-N 4 0 514.803 5.058 1 0 KKAFRP [NH2+]=C(NC1CCCCC1)c1ccc(OCCSCCOc2ccc(C(=[NH2+])NC3CCCCC3)cc2)cc1 ZINC000169331223 562858916 /nfs/dbraw/zinc/85/89/16/562858916.db2.gz OOHSNRCQGQCWAE-UHFFFAOYSA-N 2 0 522.759 6.373 1 0 KKAFRP CCC[n+]1cccc2cc(NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)Nc7ccc8c(ccc[n+]8CCC)c7)cc6)cc5)cc4)cc3)ccc21 ZINC000169333061 562859238 /nfs/dbraw/zinc/85/92/38/562859238.db2.gz YYRPEBJFOYWGQQ-UHFFFAOYSA-P 2 0 732.928 10.894 1 0 KKAFRP CC[C@@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@@]2(C(=O)OC)CC[C@@H](C(=O)OC)c3c(CC[N@H+]4CCC[C@@H](CC)C4)c4ccccc4n32)C1 ZINC000169369694 562864725 /nfs/dbraw/zinc/86/47/25/562864725.db2.gz HWBGBIQGALATDY-JUNREGNCSA-N 2 0 680.934 7.419 1 0 KKAFRP N=c1n(CCCCCCCCn2c3ccccc3n(Cc3ccccc3)c2=N)c2ccccc2n1Cc1ccccc1 ZINC000169718105 562871303 /nfs/dbraw/zinc/87/13/03/562871303.db2.gz BALYUQRTTORDCN-UHFFFAOYSA-N 2 0 556.758 7.295 1 0 KKAFRP C[NH+]1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000195459515 562871928 /nfs/dbraw/zinc/87/19/28/562871928.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 2 0 578.665 6.268 1 0 KKAFRP O=C(Nc1ccccc1-c1ccccc1)OC1CC[NH+](CCNC(=O)c2ccc(C[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1 ZINC000195969210 562872426 /nfs/dbraw/zinc/87/24/26/562872426.db2.gz MOHLSWKFSCMURH-DHUJRADRSA-N 2 0 675.786 5.167 1 0 KKAFRP NC(=[NH2+])c1ccc(Oc2cc(Oc3ccc(C(N)=[NH2+])cc3)cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)c2)cc1 ZINC000220988634 562878716 /nfs/dbraw/zinc/87/87/16/562878716.db2.gz TZEQURTUCFGROG-UGKGYDQZSA-N 2 0 511.626 5.492 1 0 KKAFRP COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@H](C)CCC[NH2+][C@H](C)CCC[NH3+])c1 ZINC000221588944 562879074 /nfs/dbraw/zinc/87/90/74/562879074.db2.gz ZHVZSKZRPGTWQL-VEYUFSJPSA-N 4 0 514.803 5.058 1 0 KKAFRP O=C(c1ccc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)s1)N1CCCC2=C[C@H]3C[C@H](C[NH+]4CCCC[C@H]34)[C@@H]21 ZINC000299830757 562885357 /nfs/dbraw/zinc/88/53/57/562885357.db2.gz OFGCDFSZKFIXGZ-JPCUOKRQSA-N 2 0 600.873 5.819 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4[C@H]4CC(C)=C[C@@H](C5)C4)c3[C@@H](C1)C2 ZINC000299838368 562887835 /nfs/dbraw/zinc/88/78/35/562887835.db2.gz QGHFTRPRTMZIAB-VIJSPRBVSA-N 2 0 651.726 11.166 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc43)N(CCc3ccc(-c4ccccc4)cc3)C2=[NH2+])N1CCc1cccc(C(F)(F)F)c1 ZINC000299858451 562892482 /nfs/dbraw/zinc/89/24/82/562892482.db2.gz GPWQHEWVOABUEA-IOLBBIBUSA-N 2 0 716.896 8.853 1 0 KKAFRP COc1ccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1NC(=O)CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000299861296 562893256 /nfs/dbraw/zinc/89/32/56/562893256.db2.gz IDXPBXOVSGLIJZ-BHVANESWSA-N 2 0 719.839 6.229 1 0 KKAFRP O=c1ccc2ccc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863222 562893809 /nfs/dbraw/zinc/89/38/09/562893809.db2.gz OXKYZMPZZYQADV-UHFFFAOYSA-N 2 0 526.681 5.109 1 0 KKAFRP CC[C@H](C)[C@H]1CN(CCCC[C@H]2C[NH+]=C(N)N2CC2CCC(C)CC2)C(=[NH2+])N1CCc1cccc(C)c1 ZINC000299866250 562894617 /nfs/dbraw/zinc/89/46/17/562894617.db2.gz VNWTXTAXUVDTFA-WJFLFHRDSA-N 2 0 508.799 5.710 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc43)N(CCc3ccc(-c4ccccc4)cc3)C2=[NH2+])N1CCCCC1CCCCC1 ZINC000299866461 562894647 /nfs/dbraw/zinc/89/46/47/562894647.db2.gz VTZKFKAJLSNKNU-ACEXITHZSA-N 2 0 683.001 9.342 1 0 KKAFRP NC1=[NH+]C[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=[NH2+])N1CCc1cccc(C(F)(F)F)c1 ZINC000299868319 562895079 /nfs/dbraw/zinc/89/50/79/562895079.db2.gz ZVFWSLKZHNABJL-BCRBLDSWSA-N 2 0 672.884 8.428 1 0 KKAFRP N=c1n(CCCCCCCCCCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 ZINC000377444191 562895875 /nfs/dbraw/zinc/89/58/75/562895875.db2.gz MMRAVWGZMUDIIB-UHFFFAOYSA-N 2 0 551.823 7.694 1 0 KKAFRP c1ccc(Cn2ccc(=[NH+]CCCCCCCCCC[NH+]=c3ccn(Cc4ccccc4)c4ccccc43)c3ccccc32)cc1 ZINC000377407358 562895881 /nfs/dbraw/zinc/89/58/81/562895881.db2.gz JFTHHZLVWUKENE-UHFFFAOYSA-N 2 0 606.858 9.315 1 0 KKAFRP Nc1ccc2c(c1)n(CCCCCCCCCC[n+]1ccc(NCc3ccccc3)c3ccc(N)cc31)ccc2=[NH+]Cc1ccccc1 ZINC000377529185 562895903 /nfs/dbraw/zinc/89/59/03/562895903.db2.gz XGTJACIIAXGPCO-UHFFFAOYSA-O 2 0 637.896 8.780 1 0 KKAFRP Cc1c(=[NH2+])ccc2c(N(C)c3ccccc3)ccn(Cc3ccc(-c4ccc(Cn5ccc(N(C)c6ccccc6)c6ccc(=[NH2+])c(C)c5-6)cc4)cc3)c1-2 ZINC000377819878 562896136 /nfs/dbraw/zinc/89/61/36/562896136.db2.gz DCSSVHIBKMLMIU-UHFFFAOYSA-N 2 0 704.922 10.374 1 0 KKAFRP c1ccc2c(c1)C1=[NH+]CCCCCCCCCC[NH+]=C3C=CN(Cc4cccc(c4)-c4cccc(c4)CN2C=C1)c1ccccc13 ZINC000377841297 562896268 /nfs/dbraw/zinc/89/62/68/562896268.db2.gz QFSGJJCWIIUQCT-UHFFFAOYSA-N 2 0 604.842 10.134 1 0 KKAFRP Clc1cc(Cl)c2c(c1)N1C=CC2=[NH+]CCCCC[NH+]=C2C=CN(CCCCC1)c1cc(Cl)cc(Cl)c12 ZINC000377848801 562896416 /nfs/dbraw/zinc/89/64/16/562896416.db2.gz QKYRNUHPLOLYMZ-UHFFFAOYSA-N 2 0 562.372 8.600 1 0 KKAFRP Cn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc2)cc1 ZINC000377848856 562896433 /nfs/dbraw/zinc/89/64/33/562896433.db2.gz QMFLTJNGYBBDND-UHFFFAOYSA-O 2 0 529.624 5.330 1 0 KKAFRP CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=C4C=C[N@H+](CCC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848924 562896494 /nfs/dbraw/zinc/89/64/94/562896494.db2.gz JWVSSJAMGAPEKH-UHFFFAOYSA-N 2 0 545.691 6.144 1 0 KKAFRP O=C(CC[NH2+]CCc1ccc(Cl)c(Cl)c1)N(CC[NH2+]CCC[NH+]1CCCCC1)C1CCCCC1 ZINC000473090684 562897576 /nfs/dbraw/zinc/89/75/76/562897576.db2.gz ACRRBPSGPZFHQR-UHFFFAOYSA-N 3 0 511.582 5.143 1 0 KKAFRP CCCn1ccc2[n+](CCCCCCCCC[n+]3c4ccccc4c4cn(CCC)ccc3-4)c3ccccc3c-2c1 ZINC000473094719 562897827 /nfs/dbraw/zinc/89/78/27/562897827.db2.gz VWOQMXJBIJWKBU-UHFFFAOYSA-N 2 0 546.803 8.632 1 0 KKAFRP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(OCc5cccc(COc6ccc(-c7nc8cc(N9CC[NH+](C)CC9)ccc8[nH]7)cc6)n5)cc4)nc3c2)CC1 ZINC000473155329 562902414 /nfs/dbraw/zinc/90/24/14/562902414.db2.gz RRSBVSVFWLSBGS-UHFFFAOYSA-N 2 0 719.894 6.830 1 0 KKAFRP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215499 562904065 /nfs/dbraw/zinc/90/40/65/562904065.db2.gz SLDOEMMXEYOUDQ-QXGXYANZSA-N 2 0 573.870 6.829 1 0 KKAFRP COCCOCCOCC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215529 562904078 /nfs/dbraw/zinc/90/40/78/562904078.db2.gz YZANRAPUIYAEBV-KCAPOMIWSA-N 2 0 592.869 6.422 1 0 KKAFRP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236449 562904676 /nfs/dbraw/zinc/90/46/76/562904676.db2.gz ITKASYXFOFGZNO-CCMYSEMPSA-N 2 0 587.897 7.076 1 0 KKAFRP COc1ccc2c(c1)c1c[nH+]ccc1n2CCCCCCCCCn1c2cc[nH+]cc2c2cc(OC)ccc21 ZINC000474609739 562905626 /nfs/dbraw/zinc/90/56/26/562905626.db2.gz UHWJIWJJNDGXLH-UHFFFAOYSA-N 2 0 520.677 8.141 1 0 KKAFRP Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653725361 562909042 /nfs/dbraw/zinc/90/90/42/562909042.db2.gz IILKKEJGEAWNLW-UHFFFAOYSA-N 2 0 514.555 5.626 1 0 KKAFRP c1c2ccccc2oc1C[NH+](CCCCCCNc1c2c([nH+]c3ccccc31)CCC2)Cc1cc2ccccc2o1 ZINC000653755867 562910940 /nfs/dbraw/zinc/91/09/40/562910940.db2.gz BWWUAZJYGRIHDC-UHFFFAOYSA-N 2 0 543.711 8.313 1 0 KKAFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[NH+]2C)OCO4)cc1 ZINC000085541015 565139108 /nfs/dbraw/zinc/13/91/08/565139108.db2.gz DNVRACCNTZAQFE-ACHIHNKUSA-N 2 0 652.788 6.785 1 0 biogenic,in-vitro KKAFRP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000085849252 565170459 /nfs/dbraw/zinc/17/04/59/565170459.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 2 0 608.735 6.859 1 0 biogenic,in-vitro KKAFRP CSc1nc(Nc2ccc3[nH+]c(C)cc(N(C)C)c3c2)nc(Nc2ccc3[nH+]c(C)cc(N(C)C)c3c2)n1 ZINC000001494849 561676604 /nfs/dbraw/zinc/67/66/04/561676604.db2.gz FDRXMTCRANOCGZ-UHFFFAOYSA-N 2 0 525.686 5.926 1 0 KKAFRP C[NH+](C)CCCOc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(OCCC[NH+](C)C)cc6)nc5c4)ccc3[nH]2)cc1 ZINC000003927239 561686792 /nfs/dbraw/zinc/68/67/92/561686792.db2.gz MZGMYDKOHYOXKR-UHFFFAOYSA-N 2 0 588.756 7.101 1 0 in-vivo KKAFRP S=C(Nc1cccc(C2([NH+]3CCCCC3)CCCCC2)c1)Nc1cccc(C2([NH+]3CCCCC3)CCCCC2)c1 ZINC000005596334 561697271 /nfs/dbraw/zinc/69/72/71/561697271.db2.gz SLZBNDXHHFHIET-UHFFFAOYSA-N 2 0 558.880 8.786 1 0 KKAFRP O=C(NCCC[NH+](CCCC[N@@H+](CCCNC(=O)C(F)(F)F)CCCc1ccccc1)CCCc1ccccc1)C(F)(F)F ZINC000005834429 561698917 /nfs/dbraw/zinc/69/89/17/561698917.db2.gz XQSNHBODALMVGJ-UHFFFAOYSA-N 2 0 630.718 5.773 1 0 KKAFRP C[NH+]1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000005888491 561699941 /nfs/dbraw/zinc/69/99/41/561699941.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 2 0 578.665 6.268 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013473789 561714479 /nfs/dbraw/zinc/71/44/79/561714479.db2.gz ZIDVXYDWJIVBSC-UHFFFAOYSA-N 2 0 506.738 8.405 1 0 KKAFRP O=C(CCCCCC[NH+]1CCCC1)c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013557704 561718917 /nfs/dbraw/zinc/71/89/17/561718917.db2.gz FKHUWJNGVRTOKC-UHFFFAOYSA-N 2 0 504.740 7.272 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC3CC[NH2+]CC3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780319 561729001 /nfs/dbraw/zinc/72/90/01/561729001.db2.gz JLWLQSJTQMABLN-HSZRJFAPSA-N 2 0 511.110 5.817 1 0 KKAFRP Clc1ccc(OCc2nc3c(cccc3OCCC[C@H]3CCCC[NH2+]3)n2CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000013780309 561729072 /nfs/dbraw/zinc/72/90/72/561729072.db2.gz MZDQVOUAJWXYFT-ILBGXUMGSA-N 2 0 525.137 6.350 1 0 KKAFRP CC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947326 561744740 /nfs/dbraw/zinc/74/47/40/561744740.db2.gz JVAZMJIFYNHUQW-FTJBHMTQSA-N 2 0 627.704 10.829 1 0 in-vivo KKAFRP CC[NH+](CC)C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000022453292 561759433 /nfs/dbraw/zinc/75/94/33/561759433.db2.gz TYSIODYUHDFTRK-YIKNKFAXSA-N 2 0 532.764 5.214 1 0 KKAFRP CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@]2(C)[NH2+]Cc3ccccc32)CC1 ZINC000023249196 561761420 /nfs/dbraw/zinc/76/14/20/561761420.db2.gz XEJWRNRUPWQYOB-KIGLDFBWSA-N 2 0 634.240 5.142 1 0 KKAFRP Fc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026507195 561796841 /nfs/dbraw/zinc/79/68/41/561796841.db2.gz IRRILEGTMQYCSB-UHFFFAOYSA-N 2 0 544.736 7.247 1 0 KKAFRP CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2CCCCn2c3ccccc3nc2-c2ccc(OCCC[NH+](CC)CC)cc2)cc1 ZINC000026573142 561798590 /nfs/dbraw/zinc/79/85/90/561798590.db2.gz GXSHYUZVUITRKF-UHFFFAOYSA-N 2 0 700.972 9.422 1 0 KKAFRP COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)COC(=O)N3CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026573916 561798727 /nfs/dbraw/zinc/79/87/27/561798727.db2.gz WIUSLLLTFQPYHM-UHFFFAOYSA-N 2 0 628.789 6.031 1 0 KKAFRP C(=C/Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCC2)cc1)\Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000026574937 561798953 /nfs/dbraw/zinc/79/89/53/561798953.db2.gz APMOACCZLSVUQN-MDZDMXLPSA-N 2 0 694.924 8.706 1 0 KKAFRP C[N@@H+](Cc1ccccc1)C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578545 561803575 /nfs/dbraw/zinc/80/35/75/561803575.db2.gz GUOKNTMJTLPMSI-RUZDIDTESA-N 2 0 557.587 6.420 1 0 KKAFRP O=C(CN1CCC([NH+]2CCCCC2)CC1)c1c2ccccc2n(CCC[C@H]2CCC[NH2+]C2)c1COc1ccc(Cl)cc1 ZINC000027193871 561843958 /nfs/dbraw/zinc/84/39/58/561843958.db2.gz XHHLNSWTGQCLAS-HHHXNRCGSA-N 2 0 591.240 6.787 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)c2)C1C(=O)OC ZINC000027209307 561846636 /nfs/dbraw/zinc/84/66/36/561846636.db2.gz KPMCWTJACSWVKC-OOVLPZSHSA-N 2 0 610.155 5.485 1 0 KKAFRP C[NH+](C)CCNC(=O)NCC(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000027214553 561848037 /nfs/dbraw/zinc/84/80/37/561848037.db2.gz FKPAJUQFRVINHR-UHFFFAOYSA-N 2 0 563.186 5.251 1 0 KKAFRP CN(CCCCCCCCN(C)C(=O)CCCCC[NH2+]CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCC[NH3+] ZINC000027416700 561857226 /nfs/dbraw/zinc/85/72/26/561857226.db2.gz NMSVVRJCPKYLQQ-UHFFFAOYSA-N 2 0 677.935 6.019 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421194 561857631 /nfs/dbraw/zinc/85/76/31/561857631.db2.gz XWGIRFFCAHGQSB-FLTDCMPJSA-N 2 0 682.262 5.006 1 0 KKAFRP C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2-c2ccccc2)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027425214 561858207 /nfs/dbraw/zinc/85/82/07/561858207.db2.gz KJKZOKVFJPDHQM-ZFLFPPOXSA-N 2 0 679.906 6.291 1 0 KKAFRP COC(=O)C1=C(C)[NH+]=C(C)N(CCCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547765 561867232 /nfs/dbraw/zinc/86/72/32/561867232.db2.gz AOIKUDXNCODUKV-GDLZYMKVSA-N 2 0 540.655 5.188 1 0 KKAFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCc2ncccc2C1 ZINC000027638407 561874868 /nfs/dbraw/zinc/87/48/68/561874868.db2.gz ICSKSUDWIFZFHG-MUUNZHRXSA-N 2 0 513.792 5.570 1 0 KKAFRP CSc1ccc(C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000027642945 561875593 /nfs/dbraw/zinc/87/55/93/561875593.db2.gz MQUJGWCQAPOSDI-UHFFFAOYSA-N 4 0 516.865 5.920 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000027736681 561881823 /nfs/dbraw/zinc/88/18/23/561881823.db2.gz ZGORXGRBHSPHOG-UHFFFAOYSA-N 2 0 568.783 7.529 1 0 KKAFRP O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(O[C@@H]2CCCC[C@H]2[NH+]2CCCCCC2)cc1 ZINC000027871723 561888379 /nfs/dbraw/zinc/88/83/79/561888379.db2.gz TYYVJTQDADPBQR-VSJLXWSYSA-N 2 0 622.875 8.840 1 0 KKAFRP COc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(CC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000027879870 561888888 /nfs/dbraw/zinc/88/88/88/561888888.db2.gz IALWLPCFKMIEIN-UHFFFAOYSA-N 2 0 526.746 7.107 1 0 KKAFRP Clc1cc2nc(C3CC[NH2+]CC3)n(CCCn3c4cc(Cl)c(Cl)cc4nc3C3CC[NH2+]CC3)c2cc1Cl ZINC000028229701 561908856 /nfs/dbraw/zinc/90/88/56/561908856.db2.gz SAZIHACQTCBJKG-UHFFFAOYSA-N 2 0 580.391 7.024 1 0 KKAFRP Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[NH+]1CCCC1 ZINC000028224777 561907780 /nfs/dbraw/zinc/90/77/80/561907780.db2.gz KYFDQEAHAGWSSL-UHFFFAOYSA-N 2 0 526.746 7.244 1 0 KKAFRP C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4I)c3)o2)C(=O)N2CC[NH2+]CC2)cc1 ZINC000028455290 561923402 /nfs/dbraw/zinc/92/34/02/561923402.db2.gz MCXZGWCFYZYQIW-YTTGMZPUSA-N 2 0 735.623 5.037 1 0 KKAFRP CN(c1ccc(Cl)cc1)c1cc[n+](C[C@H]2C[C@@H]2C[n+]2ccc(N(C)c3ccc(Cl)cc3)cc2)cc1 ZINC000028398084 561923413 /nfs/dbraw/zinc/92/34/13/561923413.db2.gz NKGAWUBUDCOEII-DHIUTWEWSA-N 2 0 505.493 6.441 1 0 KKAFRP CN(c1cc[n+](C[C@H]2C[C@@H]2C[n+]2ccc(N(C)c3cc(Cl)cc(Cl)c3)cc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000028461153 561925147 /nfs/dbraw/zinc/92/51/47/561925147.db2.gz PDTSOQUCHQATKI-NHCUHLMSSA-N 2 0 574.383 7.747 1 0 KKAFRP CCOC(=O)Cc1c(CCCCCCCCCCCCc2sc[n+](C)c2CC(=O)OCC)sc[n+]1C ZINC000028521835 561929456 /nfs/dbraw/zinc/92/94/56/561929456.db2.gz YIXSFJHYLGGZQQ-UHFFFAOYSA-N 2 0 538.820 5.356 1 0 KKAFRP CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCC[N@H+](C)CCCCNc4c5ccc(Cl)cc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000028523470 561930155 /nfs/dbraw/zinc/93/01/55/561930155.db2.gz XGUXGMNSUSHHSV-IZZNHLLZSA-N 3 0 642.719 9.591 1 0 in-vivo KKAFRP CC1CC[NH+](CCC(=O)N[C@H]2C[C@H]3C[C@@](c4cccc(O)c4)(C2)[C@@H](C)C[N@@H+]3CCCc2ccccc2)CC1 ZINC000028571138 561939296 /nfs/dbraw/zinc/93/92/96/561939296.db2.gz PXFXMBOPCYLKTA-FKOIDOADSA-N 2 0 517.758 5.374 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCc3ccc(F)cc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646338 561945102 /nfs/dbraw/zinc/94/51/02/561945102.db2.gz DRSLEYLXVNRDKA-UUWRZZSWSA-N 2 0 546.750 5.949 1 0 KKAFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)cc1 ZINC000028604467 561940645 /nfs/dbraw/zinc/94/06/45/561940645.db2.gz SRANEWVNHUJWRC-UHFFFAOYSA-N 2 0 562.843 6.902 1 0 KKAFRP CC(C)[NH+]1CCN([C@@H](CN2CC[NH+](CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028646347 561945148 /nfs/dbraw/zinc/94/51/48/561945148.db2.gz PAVIGVDFHAXYTL-UMSFTDKQSA-N 2 0 546.750 5.949 1 0 KKAFRP COc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@H](c2ccc(F)cc2)C2CC[NH+](C(C)C)CC2)CC1 ZINC000028645906 561944596 /nfs/dbraw/zinc/94/45/96/561944596.db2.gz YQAIQMBVUVSWQU-UUWRZZSWSA-N 2 0 545.787 6.832 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645913 561944650 /nfs/dbraw/zinc/94/46/50/561944650.db2.gz PSEZXKUUBYWUDL-DHUJRADRSA-N 2 0 527.772 6.947 1 0 KKAFRP CC(C)[NH+]1CCC([C@@H](CN2CC[NH+](CCCc3ccccc3-c3ccccc3F)CC2)c2ccc(F)cc2)CC1 ZINC000028645973 561944768 /nfs/dbraw/zinc/94/47/68/561944768.db2.gz KDCUNRVJJBHDMD-UMSFTDKQSA-N 2 0 545.762 7.086 1 0 KKAFRP CCOc1ccc2ccccc2c1CCCC[NH+]1CCN(C[C@@H](c2ccc(F)cc2)N2CC[NH+](C(C)C)CC2)CC1 ZINC000028646271 561944884 /nfs/dbraw/zinc/94/48/84/561944884.db2.gz SWWNCLLHMVBWRH-UMSFTDKQSA-N 2 0 560.802 6.085 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCC[NH+](C)Cc1ccncc1 ZINC000028714102 561954623 /nfs/dbraw/zinc/95/46/23/561954623.db2.gz MGZNEHSJDBFOMJ-WWEBLFKJSA-N 2 0 587.853 5.911 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714099 561954685 /nfs/dbraw/zinc/95/46/85/561954685.db2.gz QHJDMNHCYRMBOT-QCVXTWCJSA-N 2 0 587.853 5.911 1 0 KKAFRP CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)C[N@H+](C)CCCCCCCC[NH+](C)Cc1ccccn1 ZINC000028714096 561954705 /nfs/dbraw/zinc/95/47/05/561954705.db2.gz WQIZDPGNODXVFZ-LTGROYGMSA-N 2 0 559.799 5.131 1 0 KKAFRP O=C(CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028824303 561969399 /nfs/dbraw/zinc/96/93/99/561969399.db2.gz NDGYHTJSFXYWDD-UHFFFAOYSA-N 2 0 506.694 7.194 1 0 KKAFRP Cc1ccc(C[NH+]2CCc3c(c(=O)n(C[C@H]4CCCC[N@H+]4CC(C)C)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864183 561972703 /nfs/dbraw/zinc/97/27/03/561972703.db2.gz NJYDXWWAPTWRLL-AREMUKBSSA-N 2 0 564.721 5.022 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953696 561982503 /nfs/dbraw/zinc/98/25/03/561982503.db2.gz OVARUEQUPRIBML-IHLOFXLRSA-N 2 0 537.192 5.401 1 0 KKAFRP COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3n(C)c21 ZINC000028970237 561985731 /nfs/dbraw/zinc/98/57/31/561985731.db2.gz LANFUCOONSVQMQ-URBSAYNRSA-N 2 0 592.828 6.875 1 0 in-vivo KKAFRP [NH2+]=C(NC1CCCCCCC1)c1ccc(N2CCN(c3ccc(C(=[NH2+])NC4CCCCCCC4)cc3)CC2)cc1 ZINC000028972439 561986000 /nfs/dbraw/zinc/98/60/00/561986000.db2.gz KFTSDPXWTBQCAF-UHFFFAOYSA-N 2 0 542.816 7.069 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953957 561982728 /nfs/dbraw/zinc/98/27/28/561982728.db2.gz NDTAGRYZZLDJDF-WDYNHAJCSA-N 2 0 555.182 5.540 1 0 KKAFRP CC(=O)Nc1ccc(C[NH2+]CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)cc1 ZINC000028953989 561982741 /nfs/dbraw/zinc/98/27/41/561982741.db2.gz GKBZIDAPUQDQQA-ZWXJPIIXSA-N 2 0 594.244 5.359 1 0 KKAFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccccc4C(F)(F)F)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953965 561982743 /nfs/dbraw/zinc/98/27/43/561982743.db2.gz MYAVYVFIGUUHEJ-WDYNHAJCSA-N 2 0 605.189 6.420 1 0 KKAFRP CC[C@@]1(c2cccc(O)c2)CCCC[NH+](CCCCC[N@H+]2CCCC[C@@](CC)(c3cccc(O)c3)C2)C1 ZINC000029055900 561994964 /nfs/dbraw/zinc/99/49/64/561994964.db2.gz XNVOHDDYQCZZQX-CZNDPXEESA-N 2 0 506.775 7.236 1 0 in-vivo KKAFRP Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCCCCC(=O)NCCC[NH2+]CCCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000029055302 561994819 /nfs/dbraw/zinc/99/48/19/561994819.db2.gz FMLDOEOHIHOBGM-UHFFFAOYSA-N 2 0 718.987 7.166 1 0 KKAFRP CC(C)[C@H](NC(=O)CC[NH+](C)C)c1cccc(F)c1N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000029130667 562002731 /nfs/dbraw/zinc/00/27/31/562002731.db2.gz ADDYZXQTBNTXEL-QXIHQKPUSA-N 2 0 600.223 5.017 1 0 KKAFRP c1ccc(-c2ccccc2C[NH2+]CCC[NH2+]CCCCCCC[NH2+]CCC[NH2+]Cc2ccccc2-c2ccccc2)cc1 ZINC000029345179 562016077 /nfs/dbraw/zinc/01/60/77/562016077.db2.gz SMXBYDUXBBEQDB-UHFFFAOYSA-N 4 0 576.873 7.810 1 0 KKAFRP [NH3+]CCCCCC[NH2+]C[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](CO)N1CCc1c[nH]c2ccccc12 ZINC000029407833 562021092 /nfs/dbraw/zinc/02/10/92/562021092.db2.gz APLXSTNXAUTIFC-KFIZHRIMSA-N 2 0 584.805 5.035 1 0 KKAFRP C[NH+](CCCn1c(N)[nH+]c2cc(C(F)(F)F)ccc21)CCCn1c(N)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000029408908 562021355 /nfs/dbraw/zinc/02/13/55/562021355.db2.gz UYGYOSQCGLWBAW-UHFFFAOYSA-N 3 0 513.490 5.000 1 0 KKAFRP CCN(CC)C(=S)[C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=S)N(CC)CC)C3)cc2)C1 ZINC000029485596 562028267 /nfs/dbraw/zinc/02/82/67/562028267.db2.gz IGTFZSOMLHHHPK-WMPKNSHKSA-N 2 0 502.838 5.449 1 0 KKAFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[NH+]5CCCCC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000035975543 562046024 /nfs/dbraw/zinc/04/60/24/562046024.db2.gz TVVVKJSBUJENQR-DEOSSOPVSA-N 2 0 514.689 5.202 1 0 KKAFRP CC[C@@H](C)[C@H]([NH2+]CCC[NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285502 562054264 /nfs/dbraw/zinc/05/42/64/562054264.db2.gz BOPWJLPYCLOJEY-WINIVTDRSA-N 2 0 573.531 6.319 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCOc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000040404028 562074842 /nfs/dbraw/zinc/07/48/42/562074842.db2.gz JUXILMXYDLWECU-OBWKWBNQSA-N 2 0 518.698 5.066 1 0 KKAFRP O=C(CC[NH+]1CCC(O)CC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040407242 562075018 /nfs/dbraw/zinc/07/50/18/562075018.db2.gz CPGMTBMOKHIYAT-WYJFYEORSA-N 2 0 516.726 5.351 1 0 KKAFRP CCN(CC)C(=O)[C@H]1CCC[NH+](Cc2ccc(-c3ccc(C[N@H+]4CCC[C@H](C(=O)N(CC)CC)C4)cc3)cc2)C1 ZINC000040662653 562078822 /nfs/dbraw/zinc/07/88/22/562078822.db2.gz KTCPZYZGBDYZCM-ACHIHNKUSA-N 2 0 546.800 5.514 1 0 KKAFRP CC(C)NC(=[NH2+])c1ccc2[nH]c(-c3ccc(CCc4ccc(-c5nc6cc(C(=[NH2+])NC(C)C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000042807133 562090035 /nfs/dbraw/zinc/09/00/35/562090035.db2.gz WBAKRNQLBTYHKM-UHFFFAOYSA-N 2 0 582.756 7.205 1 0 KKAFRP COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)[N@H+](C)CC4 ZINC000095485898 560061918 /nfs/dbraw/zinc/06/19/18/560061918.db2.gz DYGNICRHRUENKM-WUFINQPMSA-N 2 0 594.708 6.517 1 0 biogenic,in-vitro KKAFRP CC(C)NC(=[NH2+])c1cccc(OCc2ccc3cc(COc4cccc(C(=[NH2+])NC(C)C)c4)ccc3c2)c1 ZINC000043073305 562645632 /nfs/dbraw/zinc/64/56/32/562645632.db2.gz WZWKJTMKTJOGGX-UHFFFAOYSA-N 2 0 508.666 6.645 1 0 KKAFRP CC(C)[NH2+]CCC[NH+](CCCC[N@@H+](CCC[NH2+]C(C)C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000043523788 562648857 /nfs/dbraw/zinc/64/88/57/562648857.db2.gz HLXYDWIRUJCSDA-UHFFFAOYSA-N 4 0 566.878 7.854 1 0 KKAFRP CC[C@H]1CCC[NH+](CCc2c3ccccc3[nH]c2[C@H]2CCCc3c(CC[N@H+]4CCC[C@H](CC)C4)c4ccccc4n32)C1 ZINC000044281406 562653085 /nfs/dbraw/zinc/65/30/85/562653085.db2.gz RJMPZVNRFHISRQ-LRCGEFFCSA-N 2 0 564.862 8.377 1 0 KKAFRP c1ccc2c(c1)[nH+]c1c(c2NCCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4c3CCCC4)CC2)CCCC1 ZINC000044281551 562653133 /nfs/dbraw/zinc/65/31/33/562653133.db2.gz SBMAHPAASJBGAF-UHFFFAOYSA-N 3 0 562.806 6.462 1 0 KKAFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH2+][C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)[N@H+](C)CC4)OCO3 ZINC000044305562 562653499 /nfs/dbraw/zinc/65/34/99/562653499.db2.gz ZETVLYHFBVWEKQ-VSGBNLITSA-N 2 0 592.692 6.532 1 0 KKAFRP C[NH+]1CCN(c2ccc3nc(-c4ccc(C[NH+]5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1 ZINC000044351472 562654659 /nfs/dbraw/zinc/65/46/59/562654659.db2.gz FEGHNCJTPWNNJZ-UHFFFAOYSA-N 2 0 622.781 5.670 1 0 KKAFRP COc1ccc2c(ccc(OC)c2C[NH2+]CCCCCC[NH2+]Cc2c(OC)ccc3cc(OC)ccc32)c1 ZINC000045194319 562658822 /nfs/dbraw/zinc/65/88/22/562658822.db2.gz QIWXXIHRIGXVOJ-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)CC1 ZINC000045202906 562659263 /nfs/dbraw/zinc/65/92/63/562659263.db2.gz OOIAAXQTVVBHOF-UHFFFAOYSA-N 2 0 533.642 6.128 1 0 KKAFRP COc1cccc2c1ccc(OC)c2C[NH2+]CCCCCC[NH2+]Cc1c(OC)ccc2c(OC)cccc21 ZINC000045211446 562659377 /nfs/dbraw/zinc/65/93/77/562659377.db2.gz DCEWBTDJECZXNK-UHFFFAOYSA-N 2 0 516.682 6.467 1 0 KKAFRP Cc1cc([C@@H]2CCCC[N@@H+]2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CO4)CC[NH+](C)CC2)cc1 ZINC000045301744 562660509 /nfs/dbraw/zinc/66/05/09/562660509.db2.gz RZWZITKJKXKDSG-HKBQPEDESA-N 2 0 535.732 6.378 1 0 KKAFRP CCCC[NH2+]Cc1ccc(-c2nc(CN(Cc3ccc(Cl)c(Cl)c3)C(=O)C[NH+](C)C)cs2)cc1 ZINC000045302264 562660598 /nfs/dbraw/zinc/66/05/98/562660598.db2.gz OXPDKZGJEZORIM-UHFFFAOYSA-N 2 0 519.542 6.097 1 0 KKAFRP CC(C)[NH+]1CCN([C@H](CN2CC[NH+](CCCOc3cccc(-c4ccccc4)c3)CC2)c2ccc(F)cc2)CC1 ZINC000045302504 562660635 /nfs/dbraw/zinc/66/06/35/562660635.db2.gz NJMRBFHKXPEDSH-UUWRZZSWSA-N 2 0 544.759 5.647 1 0 KKAFRP CC(=O)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000045302736 562660648 /nfs/dbraw/zinc/66/06/48/562660648.db2.gz AIKFOMVRELLITM-UHFFFAOYSA-N 2 0 531.744 6.699 1 0 KKAFRP Clc1ccc([C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccc(Cl)cc4)C2[N@H+](CCc2ccccc2)CC3)cc1 ZINC000045321886 562661060 /nfs/dbraw/zinc/66/10/60/562661060.db2.gz IEHODYGTQZFDPN-KEANYWJXSA-N 2 0 533.587 8.196 1 0 KKAFRP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCCCC3)[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1OC ZINC000045321018 562661064 /nfs/dbraw/zinc/66/10/64/562661064.db2.gz NPLQRTGSIYRGHT-BHYZAODMSA-N 2 0 543.752 6.064 1 0 KKAFRP C[NH+](C)CCOc1ccc(NC(=O)OC[C@@H](Oc2cccc3sc(C(N)=[NH2+])cc32)c2ccccc2)cc1 ZINC000045366547 562662104 /nfs/dbraw/zinc/66/21/04/562662104.db2.gz DLXQMELVHFKJOP-XMMPIXPASA-N 2 0 518.639 5.495 1 0 KKAFRP C[NH+]1CCC(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccccc4)cn3)cc2)C2Cc3ccccc3C2)CC1 ZINC000049604926 562665091 /nfs/dbraw/zinc/66/50/91/562665091.db2.gz XXABQLQLHJUCRG-UHFFFAOYSA-N 2 0 558.770 5.919 1 0 KKAFRP O=C(NC1CCCCC1)N(Cc1cccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049605064 562665269 /nfs/dbraw/zinc/66/52/69/562665269.db2.gz LJBRQPGXDUEBJO-UHFFFAOYSA-N 2 0 614.878 8.195 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)c2ccc(C[C@@H](C)[NH2+]Cc3ccc(Cl)cc3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049605261 562665635 /nfs/dbraw/zinc/66/56/35/562665635.db2.gz LATXSWMXNIVTOF-JWQCQUIFSA-N 2 0 574.596 7.730 1 0 KKAFRP C[C@@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605386 562665785 /nfs/dbraw/zinc/66/57/85/562665785.db2.gz HNSGUCXPDVWMRV-PZGXJGMVSA-N 2 0 562.076 5.814 1 0 KKAFRP C[C@H](Cc1ccc(OCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605387 562665819 /nfs/dbraw/zinc/66/58/19/562665819.db2.gz HNSGUCXPDVWMRV-KPURRNSFSA-N 2 0 562.076 5.814 1 0 KKAFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)C(C)(C)C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049613940 562666472 /nfs/dbraw/zinc/66/64/72/562666472.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 2 0 692.853 8.105 1 0 KKAFRP CC[NH+]1CCN(c2cccc3c2CN([C@H](CCC[NH2+]Cc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049694502 562669416 /nfs/dbraw/zinc/66/94/16/562669416.db2.gz NMPBLSGROAKOMM-HHHXNRCGSA-N 2 0 548.753 5.174 1 0 KKAFRP CC(C)C[NH2+]Cc1ccc(-c2cccc(CN(C(=O)Nc3ccccc3)C3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000049710077 562671538 /nfs/dbraw/zinc/67/15/38/562671538.db2.gz ZNUFXJVPIAPSGK-UHFFFAOYSA-N 2 0 560.786 7.798 1 0 KKAFRP COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H](C)C[NH+](C)C)cc1F ZINC000049722529 562672186 /nfs/dbraw/zinc/67/21/86/562672186.db2.gz SXRYJLNFTFPPKE-HHHXNRCGSA-N 2 0 688.866 5.574 1 0 KKAFRP COc1ccc(CC[NH2+][C@H](C)Cc2ccc(C(=O)Nc3ccc(C[C@H](C)[NH2+]CCc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000049762361 562676511 /nfs/dbraw/zinc/67/65/11/562676511.db2.gz XEUBLCSMUGHTPV-SXOMAYOGSA-N 2 0 584.204 7.128 1 0 KKAFRP CC[C@@H](C)CCN1C(=[NH2+])N([C@@H](Cc2ccccc2)C[N@@H+]2CCC[C@@H]2CN2C(N)=[NH+]C[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049775268 562679004 /nfs/dbraw/zinc/67/90/04/562679004.db2.gz JOVYDFKTLBYDPY-HJIFFOSASA-N 3 0 633.929 6.113 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)COc2ccc(C[C@@H](C)[NH2+]CCc3cccc(Cl)c3)cc2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049777096 562679654 /nfs/dbraw/zinc/67/96/54/562679654.db2.gz GRJDYIAVKUZOSM-KAYWLYCHSA-N 2 0 618.649 7.538 1 0 KKAFRP C=C[n+]1ccc(-c2cc[n+](Cc3cc(C[n+]4ccc(-c5cc[n+](C=C)cc5)cc4)cc(C[n+]4ccc(-c5cc[n+](C=C)cc5)cc4)c3)cc2)cc1 ZINC000049777123 562679708 /nfs/dbraw/zinc/67/97/08/562679708.db2.gz NPMRXUAPZYWXRY-UHFFFAOYSA-N 6 0 666.873 5.859 1 0 KKAFRP S=C(NCCC[NH2+]CCC[NH2+]CCCNC(=S)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000049777364 562679938 /nfs/dbraw/zinc/67/99/38/562679938.db2.gz OPYNRJNXXAAXLO-UHFFFAOYSA-N 2 0 667.005 5.928 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049792674 562684440 /nfs/dbraw/zinc/68/44/40/562684440.db2.gz QYICOCPUOBAPPN-UHFFFAOYSA-N 2 0 590.724 5.405 1 0 KKAFRP O=C(N1CCCC1)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793259 562684661 /nfs/dbraw/zinc/68/46/61/562684661.db2.gz FXZORQOYAJMPOL-SANMLTNESA-N 2 0 666.830 5.516 1 0 KKAFRP CSCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCC(F)CC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793767 562685188 /nfs/dbraw/zinc/68/51/88/562685188.db2.gz HRVOKANVQOIATC-DEOSSOPVSA-N 2 0 657.844 5.189 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049802155 562685530 /nfs/dbraw/zinc/68/55/30/562685530.db2.gz FLVUGMGNWRQWAO-MHZLTWQESA-N 2 0 706.901 5.100 1 0 KKAFRP O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@]1(c3ccc(Cl)c(Cl)c3)CC[N@H+](Cc3ccco3)C1)CC2 ZINC000049881468 562690798 /nfs/dbraw/zinc/69/07/98/562690798.db2.gz JEFCMVCLMZSGMS-PMERELPUSA-N 2 0 567.561 5.939 1 0 KKAFRP C[C@H](Cc1ccc(NC(=O)CCCC[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1)[NH2+]CCc1cccc(Cl)c1 ZINC000049917885 562694084 /nfs/dbraw/zinc/69/40/84/562694084.db2.gz NXNJEADLUQDOKB-LOSJGSFVSA-N 2 0 554.606 7.476 1 0 KKAFRP COC(=O)C[C@H]1c2ccccc2[NH+]=C(N(C)CCCCC[NH+]2CCCC2)N1c1ccc(-c2ccccc2)cc1 ZINC000049946879 562695640 /nfs/dbraw/zinc/69/56/40/562695640.db2.gz JFAIZDYDSIRWGI-HKBQPEDESA-N 2 0 524.709 6.663 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000052955830 562695936 /nfs/dbraw/zinc/69/59/36/562695936.db2.gz OFZBJBWEFDENEY-PGUFJCEWSA-N 2 0 631.887 5.567 1 0 KKAFRP C[NH2+]C(C)(C)[C@H]1OC2(CCN(C(=O)[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000058583901 562700201 /nfs/dbraw/zinc/70/02/01/562700201.db2.gz UATRFBUIAAPMMP-MWSYKCOMSA-N 2 0 602.166 5.708 1 0 KKAFRP CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[N@@H+]4CC[C@@H]5CCCC[C@H]5C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000058631453 562701141 /nfs/dbraw/zinc/70/11/41/562701141.db2.gz YDBRDSDKSOYGNU-YTMVLYRLSA-N 2 0 750.998 5.968 1 0 KKAFRP CC1(C)C[C@@H](NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@](C)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059686690 562702121 /nfs/dbraw/zinc/70/21/21/562702121.db2.gz QOVZCEMZNPLLEY-BNHMMOKISA-N 2 0 602.868 5.499 1 0 KKAFRP CC[NH+](CC)CCCC[NH2+]Cc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447265 562705332 /nfs/dbraw/zinc/70/53/32/562705332.db2.gz ZATCBTNNWVGUEU-UHFFFAOYSA-N 2 0 608.827 7.727 1 0 KKAFRP CC[NH+](CC)CCCC[NH2+]Cc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064448074 562705467 /nfs/dbraw/zinc/70/54/67/562705467.db2.gz VMVWZOVRLCUYHK-UHFFFAOYSA-N 2 0 504.675 5.631 1 0 KKAFRP [NH2+]=C(NCCCCCCCCCCCCNC(=[NH2+])c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000064514015 562706521 /nfs/dbraw/zinc/70/65/21/562706521.db2.gz CGYLUQJHCNIQJM-UHFFFAOYSA-N 2 0 542.612 8.155 1 0 KKAFRP COc1ccccc1NCCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCCNc1ccccc1OC ZINC000064548437 562707861 /nfs/dbraw/zinc/70/78/61/562707861.db2.gz MPJGEHZXPRCACZ-UHFFFAOYSA-N 2 0 554.864 7.868 1 0 KKAFRP [NH2+]=C(NC1CCCC1)c1ccc(-c2sc(-c3ccc(C(=[NH2+])NC4CCCC4)cc3)c3c2OCCO3)cc1 ZINC000066075672 562709975 /nfs/dbraw/zinc/70/99/75/562709975.db2.gz TZXNISSLGYRWOL-UHFFFAOYSA-N 2 0 514.695 6.568 1 0 KKAFRP CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCC[NH+]2CCN(c4ccccc4OC)CC2)c1-3 ZINC000066077228 562710254 /nfs/dbraw/zinc/71/02/54/562710254.db2.gz SNXPYOZDXRKEER-SSEXGKCCSA-N 2 0 525.737 6.209 1 0 KKAFRP CC(C)(C)c1[nH]c2c(cc(C(C)(C)C)cc2C(C)(C)C)c1C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc1ccccc1 ZINC000071316280 562717902 /nfs/dbraw/zinc/71/79/02/562717902.db2.gz VGDFCPGJKLCUFL-VMPREFPWSA-N 2 0 631.910 5.037 1 0 KKAFRP COc1cc2c(cc1OCCC[NH+]1CCCC1)nc(N1CCC[N@H+](Cc3ccccc3)CC1)nc2NC1CC[NH+](C(C)C)CC1 ZINC000072118070 562723412 /nfs/dbraw/zinc/72/34/12/562723412.db2.gz XUZDGFZXJNROCP-UHFFFAOYSA-N 3 0 615.867 5.500 1 0 KKAFRP O=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=O)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000072119609 562723831 /nfs/dbraw/zinc/72/38/31/562723831.db2.gz FFSNZRNCLURYFU-UHFFFAOYSA-N 2 0 648.896 5.989 1 0 KKAFRP O=C(NCCC[NH2+]CCCCCCC[NH2+]CCCNC(=O)NCC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)c1ccccc1 ZINC000072120082 562723955 /nfs/dbraw/zinc/72/39/55/562723955.db2.gz OQVYIEDMQNROCP-UHFFFAOYSA-N 2 0 690.977 7.159 1 0 KKAFRP COC(=O)[C@@H](CCCC[NH3+])NC(=O)CCCOc1ccc2ccccc2c1-c1c(OCCCC(=O)N[C@H](CCCC[NH3+])C(=O)OC)ccc2ccccc21 ZINC000072120602 562724104 /nfs/dbraw/zinc/72/41/04/562724104.db2.gz ATCDGTIRRSJOAE-KKLWWLSJSA-N 2 0 742.914 5.552 1 0 KKAFRP CCN(C(=O)NCc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccc(F)cc2)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000072132889 562726990 /nfs/dbraw/zinc/72/69/90/562726990.db2.gz FHMRUINFYKANKP-PGUFJCEWSA-N 2 0 649.877 5.706 1 0 KKAFRP COc1c(OC2CC[NH+](C)CC2)ccc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4ccc(OC5CC[NH+](C)CC5)c(OC)c4oc3=O)c(=O)oc21 ZINC000072180490 562732524 /nfs/dbraw/zinc/73/25/24/562732524.db2.gz SDZVBAMZRXDKQH-AATRIKPKSA-N 2 0 744.842 5.556 1 0 KKAFRP COc1cc(C[NH2+]CCCCCCCCCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000073199714 562736028 /nfs/dbraw/zinc/73/60/28/562736028.db2.gz YFXORTLJBLXVQK-UHFFFAOYSA-N 2 0 624.866 8.862 1 0 KKAFRP CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000073276565 562737320 /nfs/dbraw/zinc/73/73/20/562737320.db2.gz QITNIAPXIUPAEO-PSXMRANNSA-N 2 0 615.884 6.032 1 0 KKAFRP [NH3+]Cc1cccc(C2CCN(C(=O)c3cccc(CCCCc4cccc(C(=O)N5CCC(c6cccc(C[NH3+])c6)CC5)c4)c3)CC2)c1 ZINC000084602768 562744080 /nfs/dbraw/zinc/74/40/80/562744080.db2.gz UMPQGGFUCZFMTB-UHFFFAOYSA-N 2 0 642.888 7.209 1 0 KKAFRP Cc1c(N2CC[NH+](C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084603249 562744153 /nfs/dbraw/zinc/74/41/53/562744153.db2.gz JAHLECOUHIQGMD-UHFFFAOYSA-N 2 0 592.832 6.905 1 0 KKAFRP C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[N@H+](CCc2ccc(F)cc2)CCc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084652105 562746399 /nfs/dbraw/zinc/74/63/99/562746399.db2.gz BQJYGXHBKYDNDO-SBVPHTNJSA-N 2 0 687.864 5.900 1 0 KKAFRP NC(=[NH2+])SCc1c2sc3c(ccc(Br)c3CSC(N)=[NH2+])c2ccc1Br ZINC000084671752 562748650 /nfs/dbraw/zinc/74/86/50/562748650.db2.gz LAYQGYPBCFKBJV-UHFFFAOYSA-N 2 0 518.325 5.833 1 0 KKAFRP c1nc(-c2cccc(C[NH+]3CCCCC3)c2)oc1-c1cccc(-c2cnc(-c3cccc(C[NH+]4CCCCC4)c3)o2)c1 ZINC000084672428 562748812 /nfs/dbraw/zinc/74/88/12/562748812.db2.gz VGSUNQSLUCIVTR-UHFFFAOYSA-N 2 0 558.726 8.302 1 0 KKAFRP O=C(CC[NH+]1CCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)CC[NH+]7CCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084688336 562749155 /nfs/dbraw/zinc/74/91/55/562749155.db2.gz LZNHTDOJRPGWFX-UHFFFAOYSA-N 2 0 694.844 6.184 1 0 KKAFRP O=C(C[NH+]1CCCC1)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)C[NH+]7CCCC7)cc6)nn5)cc4c3)nn2)cc1 ZINC000084688338 562749194 /nfs/dbraw/zinc/74/91/94/562749194.db2.gz YEWJKHPMDVIGCJ-UHFFFAOYSA-N 2 0 666.790 5.404 1 0 KKAFRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)Nc2ccccc2S3)cc1 ZINC000084713919 562750947 /nfs/dbraw/zinc/75/09/47/562750947.db2.gz ORKJNTNAFRWXET-FQEVSTJZSA-N 2 0 552.626 6.161 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1cccs1 ZINC000095539638 562755206 /nfs/dbraw/zinc/75/52/06/562755206.db2.gz UGQKTFOQVIKHAZ-PXLJZGITSA-N 2 0 796.772 6.815 1 0 KKAFRP [NH3+]CCCNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1 ZINC000095539688 562755217 /nfs/dbraw/zinc/75/52/17/562755217.db2.gz PDNGGOJOABECHQ-PXLJZGITSA-N 2 0 793.200 5.894 1 0 KKAFRP O=C(Nc1ccc2[nH]cc(C3CC[NH+](CCOCCOCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000095540389 562755711 /nfs/dbraw/zinc/75/57/11/562755711.db2.gz OQTOMPQRGYCCES-UHFFFAOYSA-N 2 0 788.940 8.524 1 0 in-vitro KKAFRP O=C(N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550054 562759897 /nfs/dbraw/zinc/75/98/97/562759897.db2.gz RFKDBORJIKLFCM-COZYGUBDSA-N 2 0 767.030 9.005 1 0 KKAFRP Fc1cc([C@H](Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c2ccc(Cl)cc2)ccc1C[NH+]1CCCC1 ZINC000095555497 562761558 /nfs/dbraw/zinc/76/15/58/562761558.db2.gz FYYHDKQPTNFAPC-HHHXNRCGSA-N 2 0 513.966 7.843 1 0 KKAFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCCCCC[NH2+]C13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095571654 562769176 /nfs/dbraw/zinc/76/91/76/562769176.db2.gz WURITZSMFADXAJ-YXCIKLIPSA-N 2 0 576.866 7.290 1 0 KKAFRP [NH3+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CC[NH+](C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000095575186 562770244 /nfs/dbraw/zinc/77/02/44/562770244.db2.gz AAPRNHKWNGDTOT-HDKLMPRYSA-N 2 0 584.805 5.986 1 0 KKAFRP [NH2+]=C(NCCC[NH2+]CCCC[NH2+]CCCNC(=[NH2+])Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000095601833 562779799 /nfs/dbraw/zinc/77/97/99/562779799.db2.gz MNJSVXNFNCDWPB-UHFFFAOYSA-N 4 0 538.744 5.305 1 0 KKAFRP CCCCCC[NH2+]C[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)C[NH2+]CCCCCC)cc3OC2)cc1 ZINC000095603562 562780607 /nfs/dbraw/zinc/78/06/07/562780607.db2.gz YFAJXXRFGNPCDA-LOYHVIPDSA-N 2 0 554.772 5.439 1 0 KKAFRP C[C@H]1C[NH+]=C(N)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=[NH2+] ZINC000095606940 562782535 /nfs/dbraw/zinc/78/25/35/562782535.db2.gz CISZZHPGYPWFDW-XMEMUAMXSA-N 3 0 769.923 8.406 1 0 KKAFRP [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccco1 ZINC000095610185 562784236 /nfs/dbraw/zinc/78/42/36/562784236.db2.gz ZWUYDOVJXJALKG-PXLJZGITSA-N 2 0 780.704 6.346 1 0 KKAFRP O=C(CCC[NH+]1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)CCC[NH+]5CCCC5)cc4)cc3)cc2)cc1 ZINC000095615963 562787671 /nfs/dbraw/zinc/78/76/71/562787671.db2.gz AFQYPOASRYNRBT-UHFFFAOYSA-N 2 0 758.924 7.464 1 0 KKAFRP O=c1cc(-c2ccccc2)oc2cc(OCCCCC[NH+]3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285567 562795850 /nfs/dbraw/zinc/79/58/50/562795850.db2.gz NYSKQVVKHYVKTB-UHFFFAOYSA-N 2 0 616.806 7.166 1 0 KKAFRP CC[NH+](CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096908885 562799471 /nfs/dbraw/zinc/79/94/71/562799471.db2.gz VNRJQPGFKCIPJO-UHFFFAOYSA-N 2 0 567.738 5.583 1 0 KKAFRP C[NH2+]C[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)[NH2+]C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096917594 562801292 /nfs/dbraw/zinc/80/12/92/562801292.db2.gz CIZNQLQZHULKAK-JONFGRBWSA-N 2 0 571.853 7.916 1 0 KKAFRP CCC[NH+](CCC)C[C@@H](O)COc1ccc(-c2coc3cc(OC[C@H](O)C[NH+](CCC)CCC)ccc3c2=O)cc1 ZINC000096924090 562802249 /nfs/dbraw/zinc/80/22/49/562802249.db2.gz RZFCFUJOEZHIFR-KAYWLYCHSA-N 2 0 568.755 5.183 1 0 KKAFRP C[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938538 562804494 /nfs/dbraw/zinc/80/44/94/562804494.db2.gz UPOKKAQGPFJERF-UHFFFAOYSA-N 2 0 541.540 5.184 1 0 KKAFRP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938534 562804504 /nfs/dbraw/zinc/80/45/04/562804504.db2.gz HCWUPKLBXSCJJG-UHFFFAOYSA-N 2 0 540.552 6.668 1 0 KKAFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)Cc2ccccc2)C(CCCCC)C1C(=O)OCC[NH+](C)Cc1ccccc1 ZINC000100033937 562806262 /nfs/dbraw/zinc/80/62/62/562806262.db2.gz ZRTPUCOSWVPGMB-JLPMCGNQSA-N 3 0 561.767 6.525 1 0 KKAFRP COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH2+][C@H]2CC[C@H]([NH3+])CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000100070524 562806615 /nfs/dbraw/zinc/80/66/15/562806615.db2.gz FRQGIFZNGIECRT-XPNRABICSA-N 2 0 580.758 6.171 1 0 KKAFRP CC(C)(C[C@@H]1CCC[NH2+]1)[C@@H]1c2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2NC1=O ZINC000101043142 562808888 /nfs/dbraw/zinc/80/88/88/562808888.db2.gz CREAHOIFFJGQJC-FOUYOVOOSA-N 2 0 523.681 5.383 1 0 KKAFRP CC(C)[C@H]1C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CC[NH+](C)CC4)ccc3n21 ZINC000101630624 562811429 /nfs/dbraw/zinc/81/14/29/562811429.db2.gz VWGBZQIJWXMOED-UMSFTDKQSA-N 2 0 619.814 5.341 1 0 KKAFRP C[N@@H+]1CCC[C@H]1CC[NH2+]CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696339 562811845 /nfs/dbraw/zinc/81/18/45/562811845.db2.gz UAUUAICBVJBOLW-QHCPKHFHSA-N 2 0 610.780 6.067 1 0 KKAFRP COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[N@@H+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[NH+]5[C@H]23)C4)N1 ZINC000101892967 562812318 /nfs/dbraw/zinc/81/23/18/562812318.db2.gz BQIVPPWUXSHORF-XBYDVLEOSA-N 2 0 610.843 5.579 1 0 KKAFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240389 562819474 /nfs/dbraw/zinc/81/94/74/562819474.db2.gz FKWTWWTVDIYNOD-UUWRZZSWSA-N 2 0 587.772 5.183 1 0 KKAFRP CCC[N@H+](CCCC[NH+]1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000103253155 562820489 /nfs/dbraw/zinc/82/04/89/562820489.db2.gz DEEUBMPGKJRJJU-AREMUKBSSA-N 2 0 519.759 5.270 1 0 KKAFRP O=c1oc2ccccc2c(-c2ccc(OCC[NH+]3CCCC3)cc2)c1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000103267542 562822433 /nfs/dbraw/zinc/82/24/33/562822433.db2.gz DEWIKSZAADVUPS-UHFFFAOYSA-N 2 0 524.661 6.076 1 0 KKAFRP CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH2+]C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794616 562830619 /nfs/dbraw/zinc/83/06/19/562830619.db2.gz KHAYFXPJPHDPRJ-QNPLBBOQSA-N 2 0 562.154 6.607 1 0 KKAFRP COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)C[NH+]3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118799871 562830723 /nfs/dbraw/zinc/83/07/23/562830723.db2.gz FOWSNFVTTAEKAG-COOREUGTSA-N 2 0 590.208 6.944 1 0 KKAFRP CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCC[NH+]2CCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000144951913 562836707 /nfs/dbraw/zinc/83/67/07/562836707.db2.gz QLWZHVJLXXURHP-HVHHDALESA-N 2 0 593.546 5.624 1 0 KKAFRP CCC[NH+]1CCN(CCNC(=O)[C@@H]2[NH2+][C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)c(F)cc43)[C@H]2c2cccc(Cl)c2)CC1 ZINC000145766797 562837598 /nfs/dbraw/zinc/83/75/98/562837598.db2.gz DMWNVBHSSYSUHN-IDSQFFPFSA-N 2 0 618.625 5.027 1 0 KKAFRP O=C([C@@H]1CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000150524259 562843662 /nfs/dbraw/zinc/84/36/62/562843662.db2.gz XOWSSUSVVZAUSO-AQOUDTPCSA-N 2 0 717.786 6.115 1 0 KKAFRP CC[NH+](CCCOc1cc(=O)c2c(O)c(-c3ccc(OCCC[N@@H+](CC)Cc4ccccc4OC)cc3)coc-2c1)Cc1ccccc1OC ZINC000150599231 562846965 /nfs/dbraw/zinc/84/69/65/562846965.db2.gz OUZOUVHYPWUOIP-UHFFFAOYSA-N 2 0 680.842 7.765 1 0 KKAFRP C[NH+]1CCC(C[NH+]2CCN(c3nc(N)c4ncnc(Nc5cc(C(=O)Nc6cccc(C(F)(F)F)c6)ccc5Br)c4n3)CC2)CC1 ZINC000165255303 562849973 /nfs/dbraw/zinc/84/99/73/562849973.db2.gz WVSBIZKFQOFGCR-UHFFFAOYSA-N 2 0 699.580 5.243 1 0 KKAFRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)C[N@H+]4C[C@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296752 562852466 /nfs/dbraw/zinc/85/24/66/562852466.db2.gz MSTVIUSEPJSWBX-CMACJVPWSA-N 2 0 882.411 8.498 1 0 KKAFRP O=C(c1ccc(OCC[NH+]2CCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000169312705 562855407 /nfs/dbraw/zinc/85/54/07/562855407.db2.gz QFTOPSXHWOWAIR-UHFFFAOYSA-N 2 0 535.688 6.082 1 0 KKAFRP CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc(O)c(Cl)c4)[C@H]3C2)ccc1O ZINC000169323333 562857018 /nfs/dbraw/zinc/85/70/18/562857018.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 2 0 729.340 6.570 1 0 KKAFRP O=C(OCCC[NH+]1CCCCC1)c1ccc2oc3ccc(C(=O)OCCC[NH+]4CCCCC4)cc3c2c1 ZINC000169325098 562857562 /nfs/dbraw/zinc/85/75/62/562857562.db2.gz OFBIVVJXHXFOHQ-UHFFFAOYSA-N 2 0 506.643 5.652 1 0 KKAFRP NC(=[NH2+])c1ccc(OCc2c(Cl)c(Cl)c(COc3ccc(C(N)=[NH2+])cc3)c(Cl)c2Cl)cc1 ZINC000169325824 562857684 /nfs/dbraw/zinc/85/76/84/562857684.db2.gz VWRCDECULAHPOD-UHFFFAOYSA-N 2 0 512.224 6.026 1 0 KKAFRP COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3CCCCCCC[C@@H]1[NH2+]CCc2c3cc(OC)ccc3[nH]c21 ZINC000169330139 562858661 /nfs/dbraw/zinc/85/86/61/562858661.db2.gz XPELMGCVJSRMRA-ISILISOKSA-N 2 0 500.687 6.471 1 0 KKAFRP CCCC[NH+](CCCC)CCCOC(=O)c1ccc2sc3ccc(C(=O)OCCC[NH+](CCCC)CCCC)cc3c2c1 ZINC000169331727 562859045 /nfs/dbraw/zinc/85/90/45/562859045.db2.gz KLJXTZVZUJRJSF-UHFFFAOYSA-N 2 0 610.905 8.953 1 0 KKAFRP O=C(OCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(OC(F)(F)F)ccc21 ZINC000169334232 562859446 /nfs/dbraw/zinc/85/94/46/562859446.db2.gz JUXWNLFIIPPKGJ-UHFFFAOYSA-N 2 0 620.550 6.755 1 0 KKAFRP CCCCCCS(=O)(=O)c1ccc(NC(=N)NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc2ccc(S(=O)(=O)CCCCCC)cc2)cc1 ZINC000169337239 562859969 /nfs/dbraw/zinc/85/99/69/562859969.db2.gz UFAJDKSZDZMWPV-UHFFFAOYSA-N 2 0 733.022 5.576 1 0 KKAFRP O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H](C[C@@H]2CCC[C@@H]([NH2+]CCCN3C(=O)c4cccc5cccc(c54)C3=O)C2)C1 ZINC000169356308 562863818 /nfs/dbraw/zinc/86/38/18/562863818.db2.gz ABDBOYUSZZEWFY-BSVLZEFKSA-N 2 0 684.881 7.352 1 0 KKAFRP [NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccc(Cl)cc54)cc3)cc2)c2cc(Cl)ccc12 ZINC000169718813 562871325 /nfs/dbraw/zinc/87/13/25/562871325.db2.gz LRWVVGVVPSRJHK-UHFFFAOYSA-N 2 0 563.532 7.744 1 0 KKAFRP O=C1N(C[C@H](O)C[NH2+]Cc2cccs2)CN(c2ccccc2)C12CC[NH+](CCc1ccccc1-c1cccs1)CC2 ZINC000299858935 562892559 /nfs/dbraw/zinc/89/25/59/562892559.db2.gz FGDSEXAUHUQZAZ-MUUNZHRXSA-N 2 0 586.827 5.311 1 0 KKAFRP O=c1ccc2ccc(OCCCCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863172 562893774 /nfs/dbraw/zinc/89/37/74/562893774.db2.gz ORSILIXUUUCZAS-UHFFFAOYSA-N 2 0 568.762 6.279 1 0 KKAFRP Cn1ccccc1=[NH+]c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([NH+]=c4ccccn4C)cc3)cc2)cc1 ZINC000377807262 562895971 /nfs/dbraw/zinc/89/59/71/562895971.db2.gz YKAJSXXCDQNHPE-UHFFFAOYSA-O 2 0 529.624 5.330 1 0 KKAFRP Cc1cc(NCCCCCCCCCCCC[NH+]=c2cc(C)n(Cc3ccccc3)c3ccccc32)c2ccccc2[nH+]1 ZINC000377819983 562896192 /nfs/dbraw/zinc/89/61/92/562896192.db2.gz QFUVDMNFIQAVBO-UHFFFAOYSA-N 2 0 572.841 9.190 1 0 KKAFRP Cn1ccc(=[NH+]c2ccc(NC(=O)CCCCCCC(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc2)cc1 ZINC000377848839 562896418 /nfs/dbraw/zinc/89/64/18/562896418.db2.gz DLVJXYLPSQFZAO-UHFFFAOYSA-O 2 0 537.688 5.743 1 0 KKAFRP CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@H]([NH3+])C2)CC1 ZINC000473179705 562903409 /nfs/dbraw/zinc/90/34/09/562903409.db2.gz BMOCLKLZKOXJNI-YYWHXJBOSA-N 3 0 511.041 5.028 1 0 KKAFRP CCN(c1cc(-c2ccc(C[N@@H+]3CCCN(C)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245325 562904961 /nfs/dbraw/zinc/90/49/61/562904961.db2.gz YTLCPZXQXZISIH-AQOCXMLWSA-N 2 0 640.917 6.146 1 0 KKAFRP c1c2ccccc2oc1C[NH+](CCCCCCCNc1c2c([nH+]c3ccccc31)CCC2)Cc1cc2ccccc2o1 ZINC000653775526 562911903 /nfs/dbraw/zinc/91/19/03/562911903.db2.gz MJILJJIYWSPFOM-UHFFFAOYSA-N 2 0 557.738 8.703 1 0 KKAFRP COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[NH+](C)CC2)CC[N@H+]1C ZINC000085509425 565133325 /nfs/dbraw/zinc/13/33/25/565133325.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 2 0 622.762 7.162 1 0 biogenic,in-vitro KKAFRP CCCCCC[NH2+]CCOc1cc(OC[NH2+]CC)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@@H]2O ZINC000085567516 565142907 /nfs/dbraw/zinc/14/29/07/565142907.db2.gz LZYJKEOZBUSKAR-FPMGECJMSA-N 2 0 663.812 5.296 1 0 biogenic,in-vitro KKAFRP