smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4n(C)c3C(C)C)cc2)cc1OC ZINC000003922475 561685872 /nfs/dbraw/zinc/68/58/72/561685872.db2.gz OGLMUIRZIMTHMN-UHFFFAOYSA-N 1 1 564.748 6.095 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2OC)C1 ZINC000003939069 561688993 /nfs/dbraw/zinc/68/89/93/561688993.db2.gz PYMQWQVPOYGEIM-GOJCVTOHSA-N 1 1 683.938 7.491 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000003939069 561688995 /nfs/dbraw/zinc/68/89/95/561688995.db2.gz PYMQWQVPOYGEIM-GOJCVTOHSA-N 1 1 683.938 7.491 1 0 KKAFMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003946686 561690106 /nfs/dbraw/zinc/69/01/06/561690106.db2.gz MOIQVOKPJIZNBO-LJAQVGFWSA-N 1 1 556.769 6.081 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(OC(=O)N4CCNCC4)cc3c2CC[NH2+]CCCCc2ccc(O)cc2)c1 ZINC000003952711 561690697 /nfs/dbraw/zinc/69/06/97/561690697.db2.gz LKYROHSDJOKURS-UHFFFAOYSA-N 1 1 540.708 5.716 1 0 KKAFMO Ic1ccc(C[NH+]2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013472265 561714225 /nfs/dbraw/zinc/71/42/25/561714225.db2.gz IWHNPLGMXINDSW-UHFFFAOYSA-N 1 1 511.447 6.700 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585202 561705858 /nfs/dbraw/zinc/70/58/58/561705858.db2.gz MTMAYQKEAVNSAJ-DYAPXYCXSA-N 1 1 536.075 6.605 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585808 561705997 /nfs/dbraw/zinc/70/59/97/561705997.db2.gz KUOJETNPGHHXFO-KRKCRBJRSA-N 1 1 536.075 6.605 3 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O ZINC000013534346 561717748 /nfs/dbraw/zinc/71/77/48/561717748.db2.gz WOWYFQWPMWYJNL-UHFFFAOYSA-N 1 1 508.449 5.537 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)N([C@H]1CCC[N@@H+](CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558945 561719491 /nfs/dbraw/zinc/71/94/91/561719491.db2.gz ROZKUPMORBJMBK-SANMLTNESA-N 1 1 530.665 5.215 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781686 561729486 /nfs/dbraw/zinc/72/94/86/561729486.db2.gz GHSNSSFMFKJXPT-GDLZYMKVSA-N 1 1 542.786 6.143 1 0 KKAFMO O[C@@H]1C[C@@H]2[C@H](CCCN2Cc2cccc(I)c2)C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000013799377 561730369 /nfs/dbraw/zinc/73/03/69/561730369.db2.gz VBFROMGJGLRPSF-MIRJVGOZSA-N 1 1 530.494 5.275 1 0 KKAFMO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+]([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000013912111 561735759 /nfs/dbraw/zinc/73/57/59/561735759.db2.gz IVAGVKBJNJSFFA-CJFMBICVSA-N 1 1 525.878 5.109 1 0 KKAFMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+]([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000013912111 561735762 /nfs/dbraw/zinc/73/57/62/561735762.db2.gz IVAGVKBJNJSFFA-CJFMBICVSA-N 1 1 525.878 5.109 1 0 KKAFMO C[N@@H+](CCCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000014294802 561739514 /nfs/dbraw/zinc/73/95/14/561739514.db2.gz CHWKXLFCYIDJEF-SSEXGKCCSA-N 1 1 570.796 6.471 1 0 KKAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014950606 561745643 /nfs/dbraw/zinc/74/56/43/561745643.db2.gz BPIUYWHULQJMGZ-XMMPIXPASA-N 1 1 562.592 5.336 1 0 KKAFMO COc1cc(OC)c([C@@H](CC[N@H+]2CCC[C@@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545694 561755878 /nfs/dbraw/zinc/75/58/78/561755878.db2.gz RCSPFHBAQYBMER-QPPBQGQZSA-N 1 1 541.644 6.460 3 0 KKAFMO COc1ccc([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017545661 561755921 /nfs/dbraw/zinc/75/59/21/561755921.db2.gz YKBLRVYOYVWBGS-VYCLJVNGSA-N 1 1 619.755 6.433 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017545647 561755941 /nfs/dbraw/zinc/75/59/41/561755941.db2.gz FHMCHSVDDFETIF-SPOSYKFASA-N 1 1 603.084 8.229 3 0 KKAFMO c1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017577531 561756714 /nfs/dbraw/zinc/75/67/14/561756714.db2.gz SDNPBPTXZWQBPW-FDEXCQADSA-N 1 1 518.704 8.437 3 0 KKAFMO COc1ccc([C@@H]2C=CC[N@@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018155156 561758179 /nfs/dbraw/zinc/75/81/79/561758179.db2.gz PMFCRKQEBIMFMP-LQJZCPKCSA-N 1 1 526.696 6.968 1 0 KKAFMO Cn1c2cc(Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O ZINC000021289506 561758926 /nfs/dbraw/zinc/75/89/26/561758926.db2.gz PQZDDSNPXGLODE-UHFFFAOYSA-N 1 1 552.506 5.667 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cc(F)cc(F)c4)C[C@H]23)CC1 ZINC000022935429 561760656 /nfs/dbraw/zinc/76/06/56/561760656.db2.gz XVMIPCZPIBRRNE-AVPJRLCVSA-N 1 1 521.027 5.349 1 0 KKAFMO C[NH+]1CCN(Cc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000023359284 561762163 /nfs/dbraw/zinc/76/21/63/561762163.db2.gz RAJDVLCJFXQAIS-UHFFFAOYSA-N 1 1 537.900 5.960 1 0 KKAFMO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Br)c1ccc2cc[nH+]c(N)c2c1 ZINC000026173538 561770550 /nfs/dbraw/zinc/77/05/50/561770550.db2.gz LWKKDTXFIYFHNG-OEAKJJBVSA-N 1 1 555.429 5.233 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccsc4)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000026186567 561772723 /nfs/dbraw/zinc/77/27/23/561772723.db2.gz PGKUMSSGPVUVCU-UHFFFAOYSA-N 1 1 667.738 6.612 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccsc4)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000026186567 561772725 /nfs/dbraw/zinc/77/27/25/561772725.db2.gz PGKUMSSGPVUVCU-UHFFFAOYSA-N 1 1 667.738 6.612 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C[C@@H]1C ZINC000026255080 561774724 /nfs/dbraw/zinc/77/47/24/561774724.db2.gz XYCUIMUECGHTFV-VXKWHMMOSA-N 1 1 644.621 5.927 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C[C@@H]1C ZINC000026255080 561774726 /nfs/dbraw/zinc/77/47/26/561774726.db2.gz XYCUIMUECGHTFV-VXKWHMMOSA-N 1 1 644.621 5.927 1 0 KKAFMO Clc1ccc2c(c1)nccc2NCCCCCCCCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000026263500 561775863 /nfs/dbraw/zinc/77/58/63/561775863.db2.gz FGEISUJUAGRHKP-UHFFFAOYSA-N 1 1 523.552 9.515 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000026265292 561776210 /nfs/dbraw/zinc/77/62/10/561776210.db2.gz LRODZLSUDNSCCO-KYJUHHDHSA-N 1 1 592.180 6.048 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccc2F)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026271556 561777289 /nfs/dbraw/zinc/77/72/89/561777289.db2.gz YJVWVLHCKCROFB-UHFFFAOYSA-N 1 1 648.710 6.877 1 0 KKAFMO COc1ccc([C@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274267 561777881 /nfs/dbraw/zinc/77/78/81/561777881.db2.gz HNNRIVDZVTZPSR-YTTGMZPUSA-N 1 1 535.750 7.569 1 0 KKAFMO COc1ccc([C@@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1O ZINC000026274264 561777917 /nfs/dbraw/zinc/77/79/17/561777917.db2.gz HNNRIVDZVTZPSR-JGCGQSQUSA-N 1 1 535.750 7.569 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275480 561778122 /nfs/dbraw/zinc/77/81/22/561778122.db2.gz BPCHCQPFSUPHAR-WJOKGBTCSA-N 1 1 507.715 7.994 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026278414 561778747 /nfs/dbraw/zinc/77/87/47/561778747.db2.gz UEQIOCUCOGQZDQ-UHFFFAOYSA-N 1 1 616.693 6.695 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026278414 561778749 /nfs/dbraw/zinc/77/87/49/561778749.db2.gz UEQIOCUCOGQZDQ-UHFFFAOYSA-N 1 1 616.693 6.695 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCN2C=Cc3cc(OC)c(OC)cc3CC2=O)Cc2ccccc2)cc1OC ZINC000026397878 561787512 /nfs/dbraw/zinc/78/75/12/561787512.db2.gz UTFJUXXZNAZAMI-UHFFFAOYSA-N 1 1 530.665 5.211 1 0 KKAFMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469294 561790147 /nfs/dbraw/zinc/79/01/47/561790147.db2.gz SUONVKFDJJYYME-RZFQCGOMSA-N 1 1 665.798 7.101 1 0 KKAFMO CC(C)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)[nH+]1 ZINC000026489736 561793020 /nfs/dbraw/zinc/79/30/20/561793020.db2.gz NFRWMVLABDZMDS-LVPKLHHISA-N 1 1 610.799 6.289 1 0 KKAFMO Cn1cc(Cc2cn(CC(=O)N(CCC[NH+]3CCOCC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026578098 561802849 /nfs/dbraw/zinc/80/28/49/561802849.db2.gz RUHCVYUWHDRJBL-UHFFFAOYSA-N 1 1 715.295 6.071 1 0 KKAFMO CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)[nH+]c34)c2Cl)cc1C ZINC000026640907 561806659 /nfs/dbraw/zinc/80/66/59/561806659.db2.gz JFGAKYPUHPZUEI-RVDMUPIBSA-N 1 1 648.591 6.554 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026653511 561808755 /nfs/dbraw/zinc/80/87/55/561808755.db2.gz YENQPZRMKBJCFS-XDFJSJKPSA-N 1 1 511.710 6.025 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)CC1 ZINC000026653511 561808757 /nfs/dbraw/zinc/80/87/57/561808757.db2.gz YENQPZRMKBJCFS-XDFJSJKPSA-N 1 1 511.710 6.025 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2OC)C1 ZINC000026662978 561810610 /nfs/dbraw/zinc/81/06/10/561810610.db2.gz XCZYDSYUGXBLRG-BHVANESWSA-N 1 1 684.926 6.990 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000026662978 561810611 /nfs/dbraw/zinc/81/06/11/561810611.db2.gz XCZYDSYUGXBLRG-BHVANESWSA-N 1 1 684.926 6.990 1 0 KKAFMO CS(=O)(=O)Oc1cccc2c1CC[C@@H]1[C@@H]2CCC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026717852 561814579 /nfs/dbraw/zinc/81/45/79/561814579.db2.gz PRDRZXROMYANHC-XRKRLSELSA-N 1 1 532.706 5.396 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026722855 561815553 /nfs/dbraw/zinc/81/55/53/561815553.db2.gz OOLKCFWNZIVZNS-KLWPZSMLSA-N 1 1 506.602 5.365 1 0 KKAFMO CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CCC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026727233 561816175 /nfs/dbraw/zinc/81/61/75/561816175.db2.gz QCZONXSWEXKHJH-KYJUHHDHSA-N 1 1 532.706 5.396 1 0 KKAFMO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026732156 561816723 /nfs/dbraw/zinc/81/67/23/561816723.db2.gz FAWJQUFCTSZCAC-XCZPVHLTSA-N 1 1 518.679 5.006 1 0 KKAFMO CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)ccc21 ZINC000026818723 561820732 /nfs/dbraw/zinc/82/07/32/561820732.db2.gz NTRZJYSTUAKQDU-ANGMPHQKSA-N 1 1 727.951 5.438 1 0 KKAFMO CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026830882 561822923 /nfs/dbraw/zinc/82/29/23/561822923.db2.gz HBISGKIETDYCGX-RALLKFAXSA-N 1 1 749.953 5.032 1 0 KKAFMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845880 561826495 /nfs/dbraw/zinc/82/64/95/561826495.db2.gz ANCRAJKTKYCZOD-WJOKGBTCSA-N 1 1 625.597 5.291 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081422 561835143 /nfs/dbraw/zinc/83/51/43/561835143.db2.gz MWFUUYPTTPCXEY-VCXVHRGASA-N 1 1 675.871 5.210 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081422 561835144 /nfs/dbraw/zinc/83/51/44/561835144.db2.gz MWFUUYPTTPCXEY-VCXVHRGASA-N 1 1 675.871 5.210 1 0 KKAFMO COc1cc(CC(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846809 561826657 /nfs/dbraw/zinc/82/66/57/561826657.db2.gz STZNIAPDQODKPV-SSEXGKCCSA-N 1 1 669.650 5.228 1 0 KKAFMO O=C(NCCCCc1ccccc1)c1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026850252 561827121 /nfs/dbraw/zinc/82/71/21/561827121.db2.gz NFINVMQZKQTXKJ-XRQFBBPYSA-N 1 1 589.736 5.325 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)O2 ZINC000026964833 561829906 /nfs/dbraw/zinc/82/99/06/561829906.db2.gz GQGOLCRNYNRGTM-AHWNHTMQSA-N 1 1 612.792 7.142 1 0 KKAFMO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026966896 561830022 /nfs/dbraw/zinc/83/00/22/561830022.db2.gz ZNXPJTFTPLLCKK-VWLOTQADSA-N 1 1 559.585 5.799 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993626 561832798 /nfs/dbraw/zinc/83/27/98/561832798.db2.gz IBLUYABUHMLNBC-UTEVTPAPSA-N 1 1 708.929 5.619 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993626 561832799 /nfs/dbraw/zinc/83/27/99/561832799.db2.gz IBLUYABUHMLNBC-UTEVTPAPSA-N 1 1 708.929 5.619 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996450 561833355 /nfs/dbraw/zinc/83/33/55/561833355.db2.gz AAUOKFRTADXFAI-UMYWFGJBSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996450 561833357 /nfs/dbraw/zinc/83/33/57/561833357.db2.gz AAUOKFRTADXFAI-UMYWFGJBSA-N 1 1 707.941 6.224 1 0 KKAFMO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027095591 561837992 /nfs/dbraw/zinc/83/79/92/561837992.db2.gz VQQDNJPWCBDBIN-RAWUVJNISA-N 1 1 518.657 5.489 1 0 KKAFMO C[N@H+](Cc1ccccc1)C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c2ccccc12 ZINC000027185102 561842475 /nfs/dbraw/zinc/84/24/75/561842475.db2.gz SJUGCLVDTCIDMC-JKMYNKRXSA-N 1 1 572.753 6.469 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@H](Nc4nc(NC[C@@H]5CCCO5)cc[nH+]4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185991 561842580 /nfs/dbraw/zinc/84/25/80/561842580.db2.gz YZPUERUGSPVMHC-WBJKNQCFSA-N 1 1 613.847 7.309 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4nc(NC[C@@H]5CCCO5)cc[nH+]4)cc3)o1)C(C)(C)CCC2(C)C ZINC000027187523 561842830 /nfs/dbraw/zinc/84/28/30/561842830.db2.gz GSGVGURZTOYHSG-PMERELPUSA-N 1 1 621.826 7.451 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccccc1 ZINC000027207862 561846322 /nfs/dbraw/zinc/84/63/22/561846322.db2.gz AKRLDNUSUDYWEE-ICYKMPLBSA-N 1 1 505.605 6.098 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209539 561846861 /nfs/dbraw/zinc/84/68/61/561846861.db2.gz PNVVVECFORQGCG-AFSDHNFUSA-N 1 1 633.790 5.619 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)[N@H+]2C ZINC000027215912 561848380 /nfs/dbraw/zinc/84/83/80/561848380.db2.gz QJWIKJQDFYXPFY-JSXRDJHFSA-N 1 1 523.265 5.342 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCCC2)cn3Cc2ccccc2F)cc1 ZINC000027326121 561853581 /nfs/dbraw/zinc/85/35/81/561853581.db2.gz DLRXDIPMXJSRQO-UHFFFAOYSA-N 1 1 676.837 6.826 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433183 561859730 /nfs/dbraw/zinc/85/97/30/561859730.db2.gz NVDGAAUKTHPFSV-LJAQVGFWSA-N 1 1 558.785 5.979 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526320 561866292 /nfs/dbraw/zinc/86/62/92/561866292.db2.gz KTSCUAMGSPLOJT-SMSORMJASA-N 1 1 581.704 5.810 1 0 KKAFMO CC(=O)NC1(c2ccccc2)CC[NH+](C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621308 561872501 /nfs/dbraw/zinc/87/25/01/561872501.db2.gz ASSBEMCEDOONKS-JGCGQSQUSA-N 1 1 597.631 5.465 1 0 KKAFMO O=C(CCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2SC[C@@H]2CCCC[C@H]21 ZINC000027656390 561877613 /nfs/dbraw/zinc/87/76/13/561877613.db2.gz HGWNJTDOLATDDT-YIQDYSAESA-N 1 1 553.816 6.943 1 0 KKAFMO Fc1ccc(C(CCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)c2ccc(F)cc2)cc1 ZINC000027725094 561880832 /nfs/dbraw/zinc/88/08/32/561880832.db2.gz KMUXYIRMZPGCAX-UHFFFAOYSA-N 1 1 528.593 8.157 1 0 KKAFMO Fc1ccc(C(CCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)c2ccc(F)cc2)cc1 ZINC000027725094 561880833 /nfs/dbraw/zinc/88/08/33/561880833.db2.gz KMUXYIRMZPGCAX-UHFFFAOYSA-N 1 1 528.593 8.157 1 0 KKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027729923 561881348 /nfs/dbraw/zinc/88/13/48/561881348.db2.gz NJVYRAPZXYUKGN-HHHXNRCGSA-N 1 1 534.956 7.453 1 0 KKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027729923 561881349 /nfs/dbraw/zinc/88/13/49/561881349.db2.gz NJVYRAPZXYUKGN-HHHXNRCGSA-N 1 1 534.956 7.453 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(CS(=O)(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000027764834 561884544 /nfs/dbraw/zinc/88/45/44/561884544.db2.gz JAGSBHHOZSACGD-CXUHLZMHSA-N 1 1 643.593 6.376 1 0 KKAFMO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C(C)=O ZINC000027850902 561886107 /nfs/dbraw/zinc/88/61/07/561886107.db2.gz RMRCMPQTTCGZTG-SSEXGKCCSA-N 1 1 550.703 5.042 1 0 KKAFMO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C(C)=O ZINC000027850902 561886108 /nfs/dbraw/zinc/88/61/08/561886108.db2.gz RMRCMPQTTCGZTG-SSEXGKCCSA-N 1 1 550.703 5.042 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1C ZINC000027871126 561888215 /nfs/dbraw/zinc/88/82/15/561888215.db2.gz QWDKOOPUAYUPFJ-YADHBBJMSA-N 1 1 644.621 5.927 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1C ZINC000027871126 561888216 /nfs/dbraw/zinc/88/82/16/561888216.db2.gz QWDKOOPUAYUPFJ-YADHBBJMSA-N 1 1 644.621 5.927 1 0 KKAFMO CC[C@H]1CCC[N@@H+]1CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000027870830 561888250 /nfs/dbraw/zinc/88/82/50/561888250.db2.gz RKUWDWCBTBJTQI-NRFANRHFSA-N 1 1 561.004 7.357 1 0 KKAFMO CC[C@H]1CCC[N@H+]1CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000027870830 561888251 /nfs/dbraw/zinc/88/82/51/561888251.db2.gz RKUWDWCBTBJTQI-NRFANRHFSA-N 1 1 561.004 7.357 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016766 561897537 /nfs/dbraw/zinc/89/75/37/561897537.db2.gz RAYOIOHGOVQFJQ-XQJICNLXSA-N 1 1 574.785 6.336 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028005977 561895519 /nfs/dbraw/zinc/89/55/19/561895519.db2.gz KUMDPCIGXPKGHU-WJOKGBTCSA-N 1 1 566.720 5.822 1 0 KKAFMO CCn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008054 561896004 /nfs/dbraw/zinc/89/60/04/561896004.db2.gz LOUCFMTWTFVRPW-GABYNLOESA-N 1 1 582.833 6.617 1 0 KKAFMO N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012968 561896696 /nfs/dbraw/zinc/89/66/96/561896696.db2.gz NRXLSVZBUARMKR-CUGVKSGVSA-N 1 1 599.697 7.048 1 0 KKAFMO CCn1nc(Cc2ccc(F)cc2F)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013334 561896739 /nfs/dbraw/zinc/89/67/39/561896739.db2.gz FMXSKMJVOKFBNU-IUGUYLHOSA-N 1 1 582.711 5.915 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022582 561898777 /nfs/dbraw/zinc/89/87/77/561898777.db2.gz GYDKIIUOVCRNTP-UMSFTDKQSA-N 1 1 608.801 6.991 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccccc1 ZINC000028108358 561902681 /nfs/dbraw/zinc/90/26/81/561902681.db2.gz SDHHOFBLTRTNNH-AOYPEHQESA-N 1 1 516.605 5.248 1 0 KKAFMO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086869 561899264 /nfs/dbraw/zinc/89/92/64/561899264.db2.gz NUGQFYBHPBBTJL-HMQVCXRFSA-N 1 1 618.838 6.814 1 0 KKAFMO C[N@@H+](CCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109984 561902901 /nfs/dbraw/zinc/90/29/01/561902901.db2.gz LRGAOOBYJCRZOE-JGCGQSQUSA-N 1 1 586.761 7.719 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124718 561904765 /nfs/dbraw/zinc/90/47/65/561904765.db2.gz CZSUCMAQMLGPBX-FIRIVFDPSA-N 1 1 627.151 6.931 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccncc1 ZINC000028128989 561905422 /nfs/dbraw/zinc/90/54/22/561905422.db2.gz ILDUILAVNAKKJQ-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccncc1 ZINC000028128989 561905424 /nfs/dbraw/zinc/90/54/24/561905424.db2.gz ILDUILAVNAKKJQ-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000028136737 561906698 /nfs/dbraw/zinc/90/66/98/561906698.db2.gz TYCHPBQYNABPSC-XZWHSSHBSA-N 1 1 590.690 6.161 1 0 KKAFMO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136680 561906718 /nfs/dbraw/zinc/90/67/18/561906718.db2.gz SXVLTSDSQOWRHK-WUFINQPMSA-N 1 1 569.190 5.308 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136604 561906749 /nfs/dbraw/zinc/90/67/49/561906749.db2.gz SKWFXNIWDGEMBS-RPWUZVMVSA-N 1 1 591.744 6.070 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccc(OC)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028248321 561910871 /nfs/dbraw/zinc/91/08/71/561910871.db2.gz DVRDBLNROJDZCT-UHFFFAOYSA-N 1 1 639.724 6.857 1 0 KKAFMO O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028333622 561913070 /nfs/dbraw/zinc/91/30/70/561913070.db2.gz YLCHRHZVTDEYNX-HHHXNRCGSA-N 1 1 570.612 5.069 1 0 KKAFMO O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000028343426 561914520 /nfs/dbraw/zinc/91/45/20/561914520.db2.gz YLCHRHZVTDEYNX-MHZLTWQESA-N 1 1 570.612 5.069 1 0 KKAFMO COc1cccc(-n2c(=O)c3c(C[N@@H+](C)Cc4ccccc4)c(-c4ccc(N)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028238286 561910030 /nfs/dbraw/zinc/91/00/30/561910030.db2.gz JHYVSULGTMMINX-UHFFFAOYSA-N 1 1 624.713 6.430 1 0 KKAFMO C[C@@H]1CCC[N@@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028383252 561920549 /nfs/dbraw/zinc/92/05/49/561920549.db2.gz JAYXLGPKVKAOEV-MRXNPFEDSA-N 1 1 553.046 6.746 1 0 KKAFMO CCNC(=O)c1ccc(C(c2cccc(-c3nn[nH]n3)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)cc1 ZINC000028394135 561922788 /nfs/dbraw/zinc/92/27/88/561922788.db2.gz BOMHAWWRYBAPPZ-WMPKNSHKSA-N 1 1 510.667 5.307 1 0 KKAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4nc(-c5ccc(C(F)(F)F)cc5)sc4C)CC3)ccc2s1 ZINC000028393313 561922802 /nfs/dbraw/zinc/92/28/02/561922802.db2.gz MJRCPIQPPFELOL-OAQYLSRUSA-N 1 1 562.683 5.613 1 0 KKAFMO C[N@@H+](CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)CCCOc1ccc(Br)cc1Br ZINC000028397476 561923299 /nfs/dbraw/zinc/92/32/99/561923299.db2.gz YDUDLBFOGIOYQW-UHFFFAOYSA-N 1 1 567.244 6.143 1 0 KKAFMO COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3C[N@@H+](C)CC[C@@H]3c3ccc(F)cc3)c2=O)cc1 ZINC000028455359 561923618 /nfs/dbraw/zinc/92/36/18/561923618.db2.gz LPZBXKUELQDVOX-OGZQLISNSA-N 1 1 635.205 6.358 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456256 561923877 /nfs/dbraw/zinc/92/38/77/561923877.db2.gz QOVORVCMPAUEEK-BHVANESWSA-N 1 1 738.683 6.348 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[N@H+]1CCC[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000028468792 561926562 /nfs/dbraw/zinc/92/65/62/561926562.db2.gz RPJZHDKOKSGFON-KZGFNGFISA-N 1 1 525.524 5.894 1 0 KKAFMO CCC[N@@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(Cl)cc1Cl ZINC000028462585 561925524 /nfs/dbraw/zinc/92/55/24/561925524.db2.gz TVXDHFKNGKNDCM-UHFFFAOYSA-N 1 1 545.436 8.059 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028468435 561926640 /nfs/dbraw/zinc/92/66/40/561926640.db2.gz ITZBNMYCADUWJP-FQEVSTJZSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2cccnc21 ZINC000028473851 561927497 /nfs/dbraw/zinc/92/74/97/561927497.db2.gz BJNIWMAHXDJWJS-OAQYLSRUSA-N 1 1 511.497 5.648 1 0 KKAFMO Clc1ccc(-n2cncn2)c(Cc2nc3c(ccnc3NCC[C@H]3CCCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000028528032 561932668 /nfs/dbraw/zinc/93/26/68/561932668.db2.gz ANKIJLVYTUKGJM-XMMPIXPASA-N 1 1 528.060 5.904 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(-c5ccccc5)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 561930393 /nfs/dbraw/zinc/93/03/93/561930393.db2.gz NOMDKPQZZPKQLJ-FCIJAXDVSA-N 1 1 580.748 6.679 1 0 KKAFMO CC(C)(C)CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000028529694 561934375 /nfs/dbraw/zinc/93/43/75/561934375.db2.gz PAAHGURMBRUYHB-GDLZYMKVSA-N 1 1 595.228 5.010 1 0 KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000028538617 561935141 /nfs/dbraw/zinc/93/51/41/561935141.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 1 1 576.693 6.831 1 0 in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000028538617 561935143 /nfs/dbraw/zinc/93/51/43/561935143.db2.gz DQIJJKSVYLLDQW-WUFINQPMSA-N 1 1 576.693 6.831 1 0 in-vitro KKAFMO C[C@@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028570145 561938691 /nfs/dbraw/zinc/93/86/91/561938691.db2.gz GUUMVPUVSBGKBI-RYHYHUEASA-N 1 1 621.222 5.112 1 0 KKAFMO C[C@H]1C[C@@H]([N@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C[C@H]1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645333 561944563 /nfs/dbraw/zinc/94/45/63/561944563.db2.gz PAOZKBONXKGCEU-BLNSJUIPSA-N 1 1 550.587 7.062 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646211 561944971 /nfs/dbraw/zinc/94/49/71/561944971.db2.gz FCNCDDRBEIHYQX-HKBQPEDESA-N 1 1 549.601 5.531 1 0 KKAFMO CC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704050 561948133 /nfs/dbraw/zinc/94/81/33/561948133.db2.gz WZPMKCZRNPIWHY-JEDUBMGFSA-N 1 1 514.607 6.716 1 0 KKAFMO CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704068 561948313 /nfs/dbraw/zinc/94/83/13/561948313.db2.gz NGECIXLOAVQTKQ-DUBVAAOESA-N 1 1 542.661 7.352 1 0 KKAFMO CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704058 561948317 /nfs/dbraw/zinc/94/83/17/561948317.db2.gz BWWUOZUJVUFGJV-KAXVLVORSA-N 1 1 528.634 6.962 1 0 KKAFMO CC[N@H+]1CCC[C@H](CCn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2OC)C1 ZINC000028711913 561952452 /nfs/dbraw/zinc/95/24/52/561952452.db2.gz XLXKUHJSJAEFMA-OAQYLSRUSA-N 1 1 502.058 6.515 1 0 KKAFMO O=C1c2cccc3c4sccc4cc(c32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000028772255 561961670 /nfs/dbraw/zinc/96/16/70/561961670.db2.gz MWKOTSVXJPMORM-UHFFFAOYSA-N 1 1 632.767 5.884 1 0 KKAFMO c1ccc(C(CCCCN2CC[NH+](CCCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816353 561964027 /nfs/dbraw/zinc/96/40/27/561964027.db2.gz QRSZJGGQSYYERE-GSVOJQHPSA-N 1 1 680.933 9.994 1 0 KKAFMO C[C@@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000028824132 561969071 /nfs/dbraw/zinc/96/90/71/561969071.db2.gz ZMFVDWKCDJOJTP-NRFANRHFSA-N 1 1 518.061 5.187 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825211 561970544 /nfs/dbraw/zinc/97/05/44/561970544.db2.gz QOPWWVFDWSBQHN-LEAFIULHSA-N 1 1 588.818 5.442 1 0 KKAFMO CC[NH+]1CCN(C(=O)OC2([C@@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879703 561976502 /nfs/dbraw/zinc/97/65/02/561976502.db2.gz BPHSGFNDDBHOCL-RPBOFIJWSA-N 1 1 568.086 5.209 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873124 561974712 /nfs/dbraw/zinc/97/47/12/561974712.db2.gz KRKHKSLETVBBMO-UHFFFAOYSA-N 1 1 692.945 7.061 1 0 KKAFMO O=C(Nc1ccc(CC[N@H+]2CCc3ccccc3C2)cc1)Nc1ccccc1NC(=O)c1cnc2ccccc2c1 ZINC000028877238 561975883 /nfs/dbraw/zinc/97/58/83/561975883.db2.gz ZITINVMPJYNKEP-UHFFFAOYSA-N 1 1 541.655 6.732 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(F)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897817 561979382 /nfs/dbraw/zinc/97/93/82/561979382.db2.gz LSNSTLHAEKDOFR-UHFFFAOYSA-N 1 1 580.626 5.390 1 0 KKAFMO CC[C@@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4ccccc4c4c3[C@H]1[N@H+](CCC2)CC4 ZINC000028965226 561984931 /nfs/dbraw/zinc/98/49/31/561984931.db2.gz MACDUZOVBRUEGF-GGXMVOPNSA-N 1 1 505.014 5.639 1 0 KKAFMO CC[C@@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4ccccc4c4c3[C@H]1[N@@H+](CCC2)CC4 ZINC000028965226 561984932 /nfs/dbraw/zinc/98/49/32/561984932.db2.gz MACDUZOVBRUEGF-GGXMVOPNSA-N 1 1 505.014 5.639 1 0 KKAFMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc3ccccc3c2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976463 561986893 /nfs/dbraw/zinc/98/68/93/561986893.db2.gz FYOLGMCEAWUMOU-SSEXGKCCSA-N 1 1 549.700 5.816 1 0 KKAFMO C[C@H](CCC[N@H+]1CCc2ccccc2C1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978234 561987700 /nfs/dbraw/zinc/98/77/00/561987700.db2.gz DSDRQSRLYGLYRP-HXUWFJFHSA-N 1 1 533.521 5.908 1 0 KKAFMO C[C@@H](NC(=O)Nc1cccc(-c2nnnn2C)c1)[C@@H](O)C[N@@H+](CCCc1ccc(F)cc1)CC12CC3CC(CC(C3)C1)C2 ZINC000029039061 561989471 /nfs/dbraw/zinc/98/94/71/561989471.db2.gz DFTSMKPUBOXVKF-UENLDKMFSA-N 1 1 589.760 5.038 1 0 KKAFMO CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(CN3CCOC3=O)(C3CCCCC3)CC2)[C@@H](c2ccc(F)cc2F)C1 ZINC000029039415 561989869 /nfs/dbraw/zinc/98/98/69/561989869.db2.gz CHYXLNCETFJBFU-RPBOFIJWSA-N 1 1 531.688 5.420 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000029040091 561990393 /nfs/dbraw/zinc/99/03/93/561990393.db2.gz STSDXEDJWCUXPS-LGONNFHISA-N 1 1 564.614 7.453 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(Br)cc2F)CC1 ZINC000029043282 561991963 /nfs/dbraw/zinc/99/19/63/561991963.db2.gz MIAUOPQGTJQSKK-XQFUHLNNSA-N 1 1 621.035 7.049 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043450 561992082 /nfs/dbraw/zinc/99/20/82/561992082.db2.gz WIYYBZMEWSJCLO-XQFUHLNNSA-N 1 1 576.584 6.940 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000029046107 561992744 /nfs/dbraw/zinc/99/27/44/561992744.db2.gz GQLKTRKRMSMQCE-XQFUHLNNSA-N 1 1 560.129 6.426 1 0 KKAFMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046281 561992879 /nfs/dbraw/zinc/99/28/79/561992879.db2.gz ORHJMONBJOVDSX-CDHXPAGGSA-N 1 1 654.718 5.447 1 0 KKAFMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046281 561992881 /nfs/dbraw/zinc/99/28/81/561992881.db2.gz ORHJMONBJOVDSX-CDHXPAGGSA-N 1 1 654.718 5.447 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049056 561993787 /nfs/dbraw/zinc/99/37/87/561993787.db2.gz JHONDIIBGVDWQF-VEEOACQBSA-N 1 1 539.079 6.669 1 0 KKAFMO Cc1noc2cc3c(cc12)CC[N@@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029126946 561999257 /nfs/dbraw/zinc/99/92/57/561999257.db2.gz FLIIXHVRMXEDPQ-UHFFFAOYSA-N 1 1 501.578 5.534 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126991 561999276 /nfs/dbraw/zinc/99/92/76/561999276.db2.gz ILAPINSYTQOSTH-GOSISDBHSA-N 1 1 580.680 6.779 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127291 561999637 /nfs/dbraw/zinc/99/96/37/561999637.db2.gz VYGLNPIKDOAMBL-QFIPXVFZSA-N 1 1 554.764 5.674 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127364 561999854 /nfs/dbraw/zinc/99/98/54/561999854.db2.gz PVPUOHNCMSOAEE-UHFFFAOYSA-N 1 1 605.606 6.778 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127364 561999856 /nfs/dbraw/zinc/99/98/56/561999856.db2.gz PVPUOHNCMSOAEE-UHFFFAOYSA-N 1 1 605.606 6.778 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C6CC6)oc5cc4CC3)n2C)n1 ZINC000029127470 561999954 /nfs/dbraw/zinc/99/99/54/561999954.db2.gz YHBNNSZPKVUPMG-UHFFFAOYSA-N 1 1 524.694 5.940 1 0 KKAFMO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)C(C)C ZINC000029134709 562004219 /nfs/dbraw/zinc/00/42/19/562004219.db2.gz IDDQJXZUGKJHDT-UHFFFAOYSA-N 1 1 532.006 7.400 1 0 KKAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342616 562015608 /nfs/dbraw/zinc/01/56/08/562015608.db2.gz FURDJWVBJDISJQ-DDIISEAMSA-N 1 1 686.942 5.115 1 0 KKAFMO Nc1nc2cc(Cl)c(Cl)cc2n1CCCCCCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029404646 562020429 /nfs/dbraw/zinc/02/04/29/562020429.db2.gz QJPBXHFVDCGTPB-UHFFFAOYSA-N 1 1 500.261 6.815 1 0 KKAFMO CCCC[N@H+](C)Cc1c(C(C)(C)C(=O)OC)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029466156 562024391 /nfs/dbraw/zinc/02/43/91/562024391.db2.gz PTJQEXXFDKQRCI-UHFFFAOYSA-N 1 1 562.686 5.350 1 0 KKAFMO CCCC[N@@H+](C)Cc1c(C(C)(C)C(=O)OC)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029466156 562024392 /nfs/dbraw/zinc/02/43/92/562024392.db2.gz PTJQEXXFDKQRCI-UHFFFAOYSA-N 1 1 562.686 5.350 1 0 KKAFMO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cccnc1 ZINC000029545062 562029474 /nfs/dbraw/zinc/02/94/74/562029474.db2.gz DKINVODFRKTDJC-JTDOPDNRSA-N 1 1 669.823 5.472 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCCOc2ccc(OC)cc2[C@H]2Sc3ccccc3N(C)C2=O)cc1 ZINC000029551390 562031183 /nfs/dbraw/zinc/03/11/83/562031183.db2.gz OUOAHKBNSMBARV-GDLZYMKVSA-N 1 1 536.694 5.683 1 0 KKAFMO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@H]1OCCc1cccnc1 ZINC000029552258 562031328 /nfs/dbraw/zinc/03/13/28/562031328.db2.gz ZITWOMGDVPSLHM-IMEMCKAMSA-N 1 1 683.850 5.514 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2c(OC)cccc2OC)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556192 562032070 /nfs/dbraw/zinc/03/20/70/562032070.db2.gz FOHPCRQSIZLSLN-GDLZYMKVSA-N 1 1 552.693 5.302 1 0 KKAFMO CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029571296 562035703 /nfs/dbraw/zinc/03/57/03/562035703.db2.gz BDEAPIBOCDRCEQ-VQYHQDFDSA-N 1 1 602.860 7.031 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Br)c4)c3c2)o1 ZINC000034800093 562040794 /nfs/dbraw/zinc/04/07/94/562040794.db2.gz RRURVOSFXQLYQR-UHFFFAOYSA-N 1 1 607.530 6.109 1 0 KKAFMO C[C@H]1C[N@@H+](CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000034804352 562043190 /nfs/dbraw/zinc/04/31/90/562043190.db2.gz XPRHLFWRKKPHTO-BVZFJXPGSA-N 1 1 510.522 6.427 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc32)CC1 ZINC000036089409 562046909 /nfs/dbraw/zinc/04/69/09/562046909.db2.gz XVHMGSVEPAPMBT-UHFFFAOYSA-N 1 1 514.844 6.656 1 0 KKAFMO CC(=O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C[C@@H]1CCCNC(=O)Nc1cc(C(C)=O)cc(C(C)=O)c1 ZINC000036093269 562047016 /nfs/dbraw/zinc/04/70/16/562047016.db2.gz FTVCCHUPUJEUIW-FIPFOOKPSA-N 1 1 509.622 5.045 1 0 KKAFMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccc(F)cc3)cc1)C2 ZINC000036126695 562047623 /nfs/dbraw/zinc/04/76/23/562047623.db2.gz OEUKDGTYEZUHLE-KYJUHHDHSA-N 1 1 513.657 5.175 1 0 KKAFMO COc1cccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000036177556 562049417 /nfs/dbraw/zinc/04/94/17/562049417.db2.gz GRSYDSUIMCPQLM-ZRDIBKRKSA-N 1 1 533.500 5.542 1 0 KKAFMO C[N@@H+](Cc1c[nH]c(=O)[nH]1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324435 562055470 /nfs/dbraw/zinc/05/54/70/562055470.db2.gz ZSLGEMKPRWABHK-FSSWDIPSSA-N 1 1 513.482 6.116 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(N)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331661 562056768 /nfs/dbraw/zinc/05/67/68/562056768.db2.gz LITCGMRXTFPHQC-UHFFFAOYSA-N 1 1 537.685 6.169 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(N)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331661 562056770 /nfs/dbraw/zinc/05/67/70/562056770.db2.gz LITCGMRXTFPHQC-UHFFFAOYSA-N 1 1 537.685 6.169 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351485 562058346 /nfs/dbraw/zinc/05/83/46/562058346.db2.gz GETZJGVTPRSRQI-VMPREFPWSA-N 1 1 584.727 6.614 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150651 562066428 /nfs/dbraw/zinc/06/64/28/562066428.db2.gz GRZGPYMYCGWTKZ-UIUQJESISA-N 1 1 536.713 5.421 1 0 KKAFMO CC(C)(C)C[N@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000038257729 562070808 /nfs/dbraw/zinc/07/08/08/562070808.db2.gz MZGSBTMNRARQLF-UHFFFAOYSA-N 1 1 514.548 6.821 1 0 KKAFMO COCCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040394138 562074117 /nfs/dbraw/zinc/07/41/17/562074117.db2.gz XBLICIQHPJUYCZ-VEEOACQBSA-N 1 1 516.085 5.316 1 0 KKAFMO CC[N@@H+](CCCOc1ccc(C(C)=O)cc1OC)CCCC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000040506041 562077604 /nfs/dbraw/zinc/07/76/04/562077604.db2.gz GGMYEXMZSVNILL-UHFFFAOYSA-N 1 1 511.609 5.983 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040934264 562084775 /nfs/dbraw/zinc/08/47/75/562084775.db2.gz QPXWPCNCCWSLOF-ZRZAMGCNSA-N 1 1 500.662 5.392 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040934264 562084776 /nfs/dbraw/zinc/08/47/76/562084776.db2.gz QPXWPCNCCWSLOF-ZRZAMGCNSA-N 1 1 500.662 5.392 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040936380 562085229 /nfs/dbraw/zinc/08/52/29/562085229.db2.gz UCGDJSGANNJRLB-ZRZAMGCNSA-N 1 1 517.117 5.906 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Nc4ccc(Cl)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040936380 562085230 /nfs/dbraw/zinc/08/52/30/562085230.db2.gz UCGDJSGANNJRLB-ZRZAMGCNSA-N 1 1 517.117 5.906 1 0 KKAFMO COc1cc2nccc(C[N@@H+]3CCc4c(cccc4C(=O)Nc4nc5ccccc5s4)C3)c2cc1OC ZINC000040956196 562086708 /nfs/dbraw/zinc/08/67/08/562086708.db2.gz LAQGUVOTRDUNDS-UHFFFAOYSA-N 1 1 510.619 5.672 1 0 KKAFMO COc1cc2nccc(C[N@H+]3CCc4c(cccc4C(=O)Nc4nc5ccccc5s4)C3)c2cc1OC ZINC000040956196 562086710 /nfs/dbraw/zinc/08/67/10/562086710.db2.gz LAQGUVOTRDUNDS-UHFFFAOYSA-N 1 1 510.619 5.672 1 0 KKAFMO CC(C)C(=O)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979188 562087353 /nfs/dbraw/zinc/08/73/53/562087353.db2.gz HNQYTVPEOUBBMB-WJOKGBTCSA-N 1 1 535.679 6.441 1 0 KKAFMO Cc1cc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c21 ZINC000042806726 562089837 /nfs/dbraw/zinc/08/98/37/562089837.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 1 1 591.156 5.104 1 0 KKAFMO Cc1cc(N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000042806726 562089840 /nfs/dbraw/zinc/08/98/40/562089840.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 1 1 591.156 5.104 1 0 KKAFMO Cc1cc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000042806726 562089842 /nfs/dbraw/zinc/08/98/42/562089842.db2.gz VVICOEQHILEAPE-PHVLTXCSSA-N 1 1 591.156 5.104 1 0 KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532404 560072837 /nfs/dbraw/zinc/07/28/37/560072837.db2.gz CJRXTOXGXQIANM-UFHUFKOYSA-N 1 1 523.714 5.992 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CC[C@](O)([C@H]4C=CC[C@@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000085532350 560073006 /nfs/dbraw/zinc/07/30/06/560073006.db2.gz MEYWFQZUSAQFHE-CBZMCJDRSA-N 1 1 549.752 6.525 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@H+]13 ZINC000085511857 560073774 /nfs/dbraw/zinc/07/37/74/560073774.db2.gz NEKIHSCHYFCIRU-QZZURBPNSA-N 1 1 579.690 5.170 1 0 biogenic,in-vitro KKAFMO C[C@@H](NC(=O)c1ccc(C=C2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043073329 562645585 /nfs/dbraw/zinc/64/55/85/562645585.db2.gz XGBMBQJQJDEFOO-HXUWFJFHSA-N 1 1 533.466 6.348 1 0 KKAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170088 562646475 /nfs/dbraw/zinc/64/64/75/562646475.db2.gz HBSAGEADSOENTM-BHVANESWSA-N 1 1 631.712 5.171 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1cccc([C@H](C)N3CCOCC3)c1)C2 ZINC000044281448 562653097 /nfs/dbraw/zinc/65/30/97/562653097.db2.gz KDWOPADIGXTVPB-ZWDFMOMQSA-N 1 1 562.751 5.253 1 0 KKAFMO FC(F)(F)c1ccc(Nc2nc(CCC[NH+]3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000044352367 562655150 /nfs/dbraw/zinc/65/51/50/562655150.db2.gz CXNXXEBGJVOKNC-UHFFFAOYSA-N 1 1 561.530 6.738 1 0 KKAFMO FC(F)(F)c1cccc(C[N@@H+](CCCOc2cccc3[nH]ccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000044360473 562655615 /nfs/dbraw/zinc/65/56/15/562655615.db2.gz FSENUVJQKQCYBD-UHFFFAOYSA-N 1 1 563.063 8.943 1 0 KKAFMO CC[N@@H+](CCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416837 562656939 /nfs/dbraw/zinc/65/69/39/562656939.db2.gz LUSQBOYQNVVORG-UHFFFAOYSA-N 1 1 568.187 5.990 1 0 KKAFMO COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044418376 562657308 /nfs/dbraw/zinc/65/73/08/562657308.db2.gz JOUKASPIRNRVDU-AREMUKBSSA-N 1 1 556.426 6.936 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000045167085 562657938 /nfs/dbraw/zinc/65/79/38/562657938.db2.gz UZBISDZKADNRKD-HSZRJFAPSA-N 1 1 523.621 5.281 1 0 KKAFMO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167525 562658048 /nfs/dbraw/zinc/65/80/48/562658048.db2.gz KBBTZNWIQSYFEJ-LJQANCHMSA-N 1 1 521.587 5.738 1 0 KKAFMO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169110 562658239 /nfs/dbraw/zinc/65/82/39/562658239.db2.gz QHRVZLGUVNELPH-KRWDZBQOSA-N 1 1 512.519 6.705 1 0 KKAFMO CC(=O)Nc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188644 562658300 /nfs/dbraw/zinc/65/83/00/562658300.db2.gz SLBYFXHYNULWMQ-LJQANCHMSA-N 1 1 501.574 5.644 1 0 KKAFMO COc1cccc([C@H]2CCC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000045191164 562658497 /nfs/dbraw/zinc/65/84/97/562658497.db2.gz MLJFSDZNUOCAJI-VWLOTQADSA-N 1 1 520.073 5.991 1 0 KKAFMO COc1ccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)cc3)CC2)cc1Cl ZINC000045190373 562658522 /nfs/dbraw/zinc/65/85/22/562658522.db2.gz OJFNYWXESSXTLQ-MDWZMJQESA-N 1 1 533.500 5.542 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045193085 562658719 /nfs/dbraw/zinc/65/87/19/562658719.db2.gz PEFHORCHHWGDBL-ZAHGZRRWSA-N 1 1 522.904 6.297 1 0 KKAFMO Cc1noc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)n1 ZINC000045194699 562658832 /nfs/dbraw/zinc/65/88/32/562658832.db2.gz MZWUIKWINQGRKS-AWNIVKPZSA-N 1 1 502.634 5.363 1 0 KKAFMO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1 ZINC000045196227 562658993 /nfs/dbraw/zinc/65/89/93/562658993.db2.gz PLKFRNSVJBWRHH-UHFFFAOYSA-N 1 1 515.535 6.992 1 0 KKAFMO C[N@@H+](CCCNC(=S)NC12CC3CC(CC(C3)C1)C2)CCCNc1ccnc2cc(Cl)ccc21 ZINC000045210272 562659296 /nfs/dbraw/zinc/65/92/96/562659296.db2.gz YDZUUUIVDVFNBA-UHFFFAOYSA-N 1 1 500.156 5.445 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)s3)nc2c1 ZINC000045227987 562659415 /nfs/dbraw/zinc/65/94/15/562659415.db2.gz HNSWEVZOXFFVOX-UHFFFAOYSA-N 1 1 519.596 6.694 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4c(cccc4C)[nH]3)s2)CC1 ZINC000045230945 562659665 /nfs/dbraw/zinc/65/96/65/562659665.db2.gz XJCZARMYTKDJJJ-UHFFFAOYSA-N 1 1 524.090 5.204 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cccc(C)c4[nH]3)s2)CC1 ZINC000045230945 562659667 /nfs/dbraw/zinc/65/96/67/562659667.db2.gz XJCZARMYTKDJJJ-UHFFFAOYSA-N 1 1 524.090 5.204 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@]1(C)CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1C ZINC000045253126 562659798 /nfs/dbraw/zinc/65/97/98/562659798.db2.gz VNQWUKJBGRJFGB-JRPXNJEYSA-N 1 1 520.641 5.007 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@]1(C)CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1C ZINC000045253126 562659799 /nfs/dbraw/zinc/65/97/99/562659799.db2.gz VNQWUKJBGRJFGB-JRPXNJEYSA-N 1 1 520.641 5.007 1 0 KKAFMO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)c2c1 ZINC000045302056 562660562 /nfs/dbraw/zinc/66/05/62/562660562.db2.gz ZYLSWHVDPIIHRZ-HUUCEWRRSA-N 1 1 501.077 5.399 1 0 KKAFMO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302058 562660620 /nfs/dbraw/zinc/66/06/20/562660620.db2.gz ZYLSWHVDPIIHRZ-GJZGRUSLSA-N 1 1 501.077 5.399 1 0 KKAFMO Nc1[nH]c2c(ccnc2-c2[nH]c(Br)c(CCc3cccc(C(F)(F)F)c3)c2Br)[nH+]1 ZINC000049695286 562670358 /nfs/dbraw/zinc/67/03/58/562670358.db2.gz FSGCPVDDFQOOHT-UHFFFAOYSA-N 1 1 529.158 5.864 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000048307280 562662897 /nfs/dbraw/zinc/66/28/97/562662897.db2.gz YULHSCHRHAVYAX-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000048307280 562662898 /nfs/dbraw/zinc/66/28/98/562662898.db2.gz YULHSCHRHAVYAX-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000048307280 562662899 /nfs/dbraw/zinc/66/28/99/562662899.db2.gz YULHSCHRHAVYAX-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000048307301 562662912 /nfs/dbraw/zinc/66/29/12/562662912.db2.gz BXUUZIADYSJDFA-RZBOESAMSA-N 1 1 585.498 6.846 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@@H]4C[C@]4(c4ccc(Cl)c(Cl)c4)C3)n2C)n1 ZINC000049033715 562663460 /nfs/dbraw/zinc/66/34/60/562663460.db2.gz URICTYNITRPTLS-UZTOHYMASA-N 1 1 524.521 6.401 1 0 KKAFMO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(Cl)cc1 ZINC000049045570 562663643 /nfs/dbraw/zinc/66/36/43/562663643.db2.gz GNMRPRCSBHLFTD-UHFFFAOYSA-N 1 1 523.430 7.788 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@@H+](CCCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664245 /nfs/dbraw/zinc/66/42/45/562664245.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 1 1 516.693 6.155 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@H+](CCCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073392 562664246 /nfs/dbraw/zinc/66/42/46/562664246.db2.gz RTNSNXZDKKABAY-HKBQPEDESA-N 1 1 516.693 6.155 1 0 KKAFMO Cc1nnc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](Nc4[nH]c5ccccc5[nH+]4)[C@@H]3SC2)s1 ZINC000049593008 562664953 /nfs/dbraw/zinc/66/49/53/562664953.db2.gz HGCGZFPTMCJOSP-YWEHKCAJSA-N 1 1 626.789 5.798 1 0 KKAFMO C[C@@H](CNC(=O)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604943 562665103 /nfs/dbraw/zinc/66/51/03/562665103.db2.gz NNNAYENYEMNISJ-JCVFDAPQSA-N 1 1 543.711 6.801 1 0 KKAFMO Oc1ccc(CCCc2cc(Oc3c(I)cc(CCc4[nH]cc[nH+]4)cc3I)ccc2O)cc1 ZINC000049605565 562666024 /nfs/dbraw/zinc/66/60/24/562666024.db2.gz RTVQTBAJGXAEGI-UHFFFAOYSA-N 1 1 666.297 6.783 1 0 KKAFMO CC[C@@H](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605361 562665767 /nfs/dbraw/zinc/66/57/67/562665767.db2.gz LGRMYYUELOYAIG-GQYOUUAKSA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@@H](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CCN(C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605361 562665768 /nfs/dbraw/zinc/66/57/68/562665768.db2.gz LGRMYYUELOYAIG-GQYOUUAKSA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@@H](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@H+](C)CCN(C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605361 562665769 /nfs/dbraw/zinc/66/57/69/562665769.db2.gz LGRMYYUELOYAIG-GQYOUUAKSA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](O)c1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)nc2ccc(OC)cc21 ZINC000049605679 562666236 /nfs/dbraw/zinc/66/62/36/562666236.db2.gz JOJOMIIGFIWIPH-AZZOCYCNSA-N 1 1 536.116 5.539 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605729 562666303 /nfs/dbraw/zinc/66/63/03/562666303.db2.gz FWOCVWATTUPVMG-SLFFLAALSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049605725 562666319 /nfs/dbraw/zinc/66/63/19/562666319.db2.gz LFINXGGKQGHRTK-LDLOPFEMSA-N 1 1 591.755 7.787 1 0 KKAFMO CCCCCCOc1ccc(C(=O)NCCC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049605794 562666359 /nfs/dbraw/zinc/66/63/59/562666359.db2.gz QOUPAVXNDDTMQS-DMYUTJGESA-N 1 1 630.701 8.174 1 0 KKAFMO C[N@@H+](CCC1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000049605787 562666363 /nfs/dbraw/zinc/66/63/63/562666363.db2.gz QSEVSIAYNBVATP-NTUHNPAUSA-N 1 1 538.563 7.775 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049614201 562666516 /nfs/dbraw/zinc/66/65/16/562666516.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 1 1 702.804 7.966 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049614201 562666517 /nfs/dbraw/zinc/66/65/17/562666517.db2.gz DHBKIEWZBKJGCU-AJQTZOPKSA-N 1 1 702.804 7.966 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625444 562666777 /nfs/dbraw/zinc/66/67/77/562666777.db2.gz UOYHHUKUSBEJQM-BDTNDASRSA-N 1 1 537.919 5.933 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049650010 562667919 /nfs/dbraw/zinc/66/79/19/562667919.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 1 1 726.870 8.302 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049650010 562667920 /nfs/dbraw/zinc/66/79/20/562667920.db2.gz IUEHBLRYEPMLOX-MPQUPPDSSA-N 1 1 726.870 8.302 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)C=C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049654598 562668103 /nfs/dbraw/zinc/66/81/03/562668103.db2.gz OKLABRSRAVXCGT-ISLYRVAYSA-N 1 1 573.686 5.656 1 0 KKAFMO CC(C)C[N@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678971 562668710 /nfs/dbraw/zinc/66/87/10/562668710.db2.gz NHTDUDJODVJSJH-IADCTJSHSA-N 1 1 548.695 5.643 1 0 KKAFMO C[C@@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000049695344 562670445 /nfs/dbraw/zinc/67/04/45/562670445.db2.gz LENKUUPXOOPDDB-HXUWFJFHSA-N 1 1 621.440 6.800 1 0 KKAFMO C[C@@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000049695344 562670446 /nfs/dbraw/zinc/67/04/46/562670446.db2.gz LENKUUPXOOPDDB-HXUWFJFHSA-N 1 1 621.440 6.800 1 0 KKAFMO COc1ccccc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049710050 562671510 /nfs/dbraw/zinc/67/15/10/562671510.db2.gz USCWJPZRMKKICH-OOBQRLTLSA-N 1 1 544.523 5.548 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)c1 ZINC000049710274 562671646 /nfs/dbraw/zinc/67/16/46/562671646.db2.gz YDAAPBIJADYDIL-UHFFFAOYSA-N 1 1 558.629 8.539 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711032 562671948 /nfs/dbraw/zinc/67/19/48/562671948.db2.gz NKILNBZJPOZQEA-PZGXJGMVSA-N 1 1 595.628 6.179 1 0 KKAFMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722592 562672206 /nfs/dbraw/zinc/67/22/06/562672206.db2.gz JLOWWZLDDROYCZ-WJOKGBTCSA-N 1 1 688.741 7.659 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049722629 562672292 /nfs/dbraw/zinc/67/22/92/562672292.db2.gz QNEYCAYMNPOGEH-FKAPRUDGSA-N 1 1 583.630 6.567 1 0 KKAFMO O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000049723092 562672907 /nfs/dbraw/zinc/67/29/07/562672907.db2.gz LWUVOPFFGHOXHU-UHFFFAOYSA-N 1 1 607.413 6.663 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049745158 562673732 /nfs/dbraw/zinc/67/37/32/562673732.db2.gz GOODGRVFFQXMQC-KHMHUBCMSA-N 1 1 634.592 6.783 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049756681 562675188 /nfs/dbraw/zinc/67/51/88/562675188.db2.gz KHEXPUZMPCBDCB-UHFFFAOYSA-N 1 1 570.719 5.684 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(C)c1 ZINC000049757508 562676065 /nfs/dbraw/zinc/67/60/65/562676065.db2.gz MZWALFBOTNMRTP-UHFFFAOYSA-N 1 1 554.720 5.983 1 0 KKAFMO C[NH+]1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc(NS(=O)(=O)c5cccc(Cl)c5Cl)cc3)c4N)c2)CC1 ZINC000049777099 562679622 /nfs/dbraw/zinc/67/96/22/562679622.db2.gz MNJJBVNCZHNWCS-UHFFFAOYSA-N 1 1 608.555 5.505 1 0 KKAFMO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3cc(Cl)ccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777236 562679814 /nfs/dbraw/zinc/67/98/14/562679814.db2.gz HIUMTQBPEGHVKY-YTTGMZPUSA-N 1 1 694.276 7.442 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC([N@@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777427 562680052 /nfs/dbraw/zinc/68/00/52/562680052.db2.gz FRIBUZAMFTUFSB-PMERELPUSA-N 1 1 630.899 5.945 1 0 KKAFMO C[C@@H](Cc1ccc2ocnc2c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049777831 562680604 /nfs/dbraw/zinc/68/06/04/562680604.db2.gz NVRFWMASOFUUJK-BJTUFNSYSA-N 1 1 536.667 5.372 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049777954 562680727 /nfs/dbraw/zinc/68/07/27/562680727.db2.gz ZTSUCMUSESFEGF-ISLYRVAYSA-N 1 1 561.675 5.356 1 0 KKAFMO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778354 562681255 /nfs/dbraw/zinc/68/12/55/562681255.db2.gz HEILVIDOVAHKRM-GMTSZFNJSA-N 1 1 648.267 5.183 1 0 KKAFMO CC(C)C[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049780267 562681519 /nfs/dbraw/zinc/68/15/19/562681519.db2.gz INGULWRLHYWXJR-VSGBNLITSA-N 1 1 621.829 5.933 1 0 KKAFMO Cc1cc(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)c(C)o1 ZINC000049780340 562681613 /nfs/dbraw/zinc/68/16/13/562681613.db2.gz JZMHQMKDPFNHJJ-UHFFFAOYSA-N 1 1 548.687 5.688 1 0 KKAFMO CCC[N@@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049781299 562682904 /nfs/dbraw/zinc/68/29/04/562682904.db2.gz WJKLZROERAPTFV-WPLJCJQWSA-N 1 1 607.739 5.168 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCOCC5)c4)cc32)cc1 ZINC000049784194 562683528 /nfs/dbraw/zinc/68/35/28/562683528.db2.gz RBJQAHIBEYFAAG-UHFFFAOYSA-N 1 1 549.679 5.754 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@H+]2C)cc1 ZINC000049898467 562692556 /nfs/dbraw/zinc/69/25/56/562692556.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 1 1 670.803 6.477 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N@@H+]2C)cc1 ZINC000049898467 562692557 /nfs/dbraw/zinc/69/25/57/562692557.db2.gz DITCAWDOTGUOAZ-CONSDPRKSA-N 1 1 670.803 6.477 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917565 562693578 /nfs/dbraw/zinc/69/35/78/562693578.db2.gz IPQMMHOXXCGSDM-BHDDXSALSA-N 1 1 571.471 6.298 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917560 562693581 /nfs/dbraw/zinc/69/35/81/562693581.db2.gz DPBDEJSHFAVZAV-LEWJYISDSA-N 1 1 603.488 6.781 1 0 KKAFMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917585 562693619 /nfs/dbraw/zinc/69/36/19/562693619.db2.gz IKEZPWSTUBREGN-ZABMDDCTSA-N 1 1 622.851 5.212 1 0 KKAFMO O=S(=O)(Nc1cc2c(cc1OCc1ccccc1)CC[N@@H+](C1CCC1)CC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049917626 562693704 /nfs/dbraw/zinc/69/37/04/562693704.db2.gz JCWHCVLCNGNGCC-UHFFFAOYSA-N 1 1 573.158 7.340 1 0 KKAFMO O=S(=O)(Nc1cc2c(cc1OCc1ccccc1)CC[N@H+](C1CCC1)CC2)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049917626 562693705 /nfs/dbraw/zinc/69/37/05/562693705.db2.gz JCWHCVLCNGNGCC-UHFFFAOYSA-N 1 1 573.158 7.340 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917694 562693773 /nfs/dbraw/zinc/69/37/73/562693773.db2.gz CVACZFYQVUKCCT-ZTOMLWHTSA-N 1 1 562.076 5.814 1 0 KKAFMO C[NH+]1CCN([C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000049917727 562693804 /nfs/dbraw/zinc/69/38/04/562693804.db2.gz DZLOXIXCKFZSFM-VWLOTQADSA-N 1 1 551.440 6.361 1 0 KKAFMO CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917762 562693858 /nfs/dbraw/zinc/69/38/58/562693858.db2.gz ZHDSIQJTAMFWOD-RWYGWLOXSA-N 1 1 726.943 6.848 1 0 KKAFMO O=c1cc(NCC[C@H](C[NH2+]Cc2ccc(Br)o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917933 562694198 /nfs/dbraw/zinc/69/41/98/562694198.db2.gz MOWMGWIMHWQDLU-LJQANCHMSA-N 1 1 653.213 6.159 1 0 KKAFMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)cc1 ZINC000049917969 562694256 /nfs/dbraw/zinc/69/42/56/562694256.db2.gz DLUFNTLZGDMTMS-UHFFFAOYSA-N 1 1 535.591 6.609 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000049918258 562694639 /nfs/dbraw/zinc/69/46/39/562694639.db2.gz IONJJIDMPXPECU-UHFFFAOYSA-N 1 1 710.783 6.618 1 0 KKAFMO Cc1cccc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)n1 ZINC000058482702 562698056 /nfs/dbraw/zinc/69/80/56/562698056.db2.gz QTQXLLIQPPYVHT-VWLOTQADSA-N 1 1 554.698 6.637 1 0 KKAFMO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000058498723 562698259 /nfs/dbraw/zinc/69/82/59/562698259.db2.gz XMPYIUOBUKKWGS-GJBXTBEHSA-N 1 1 608.179 5.722 1 0 KKAFMO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000058498723 562698260 /nfs/dbraw/zinc/69/82/60/562698260.db2.gz XMPYIUOBUKKWGS-GJBXTBEHSA-N 1 1 608.179 5.722 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCC[C@H](C[C@@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000058537982 562698753 /nfs/dbraw/zinc/69/87/53/562698753.db2.gz VEPNEHUJRMVZLF-VAVYLYDRSA-N 1 1 501.715 5.668 1 0 KKAFMO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccc(Cl)cc1 ZINC000058540856 562698937 /nfs/dbraw/zinc/69/89/37/562698937.db2.gz IWTBOBMNKDYXPH-UHFFFAOYSA-N 1 1 547.958 6.776 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1[N@H+]1CCC[C@@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000058546949 562699055 /nfs/dbraw/zinc/69/90/55/562699055.db2.gz RPJZHDKOKSGFON-WOIMOHSLSA-N 1 1 525.524 5.894 1 0 KKAFMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)n4C)cc3)CC2)cc1 ZINC000058568315 562699495 /nfs/dbraw/zinc/69/94/95/562699495.db2.gz NZDMROYVTFFCTB-UHFFFAOYSA-N 1 1 555.726 6.486 1 0 KKAFMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn32)cc1 ZINC000058580994 562699723 /nfs/dbraw/zinc/69/97/23/562699723.db2.gz GIVPKVSPHSKBPI-VWLOTQADSA-N 1 1 571.512 6.320 1 0 KKAFMO C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000058584350 562700275 /nfs/dbraw/zinc/70/02/75/562700275.db2.gz VALXHTYNSBIIKC-UXGWCSDESA-N 1 1 518.745 7.761 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593448 562700702 /nfs/dbraw/zinc/70/07/02/562700702.db2.gz UOYHHUKUSBEJQM-FKBYEOEOSA-N 1 1 537.919 5.933 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955101 562702485 /nfs/dbraw/zinc/70/24/85/562702485.db2.gz WRZDNNNWRDBIAE-ORKTZOGASA-N 1 1 509.615 8.394 3 0 KKAFMO Nc1noc2c1c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc1)ccc2C[NH+]1CCOCC1 ZINC000063539427 562704486 /nfs/dbraw/zinc/70/44/86/562704486.db2.gz BVEYDBGZRDZKLI-UHFFFAOYSA-N 1 1 529.494 5.711 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000064539997 562707643 /nfs/dbraw/zinc/70/76/43/562707643.db2.gz HIVHEOCGLZASLB-RDPSFJRHSA-N 1 1 521.678 6.110 1 0 KKAFMO CC(C)(C(=O)Nc1ccc(N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000064560440 562708520 /nfs/dbraw/zinc/70/85/20/562708520.db2.gz ACGCDAQKSJBTTB-UHFFFAOYSA-N 1 1 534.066 6.977 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000064645857 562708966 /nfs/dbraw/zinc/70/89/66/562708966.db2.gz ZTMNNQKTIOUXNE-ZCGWPHLNSA-N 1 1 577.612 9.413 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066066154 562709292 /nfs/dbraw/zinc/70/92/92/562709292.db2.gz ZSOHBIYTNTYVNQ-JWHBBQGKSA-N 1 1 534.695 6.628 1 0 KKAFMO Cc1ccc(Nc2nc(Nc3cccc(Nc4ccnc5cc(Cl)ccc54)c3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000066066310 562709351 /nfs/dbraw/zinc/70/93/51/562709351.db2.gz AMVTYBHNRLMHDE-UHFFFAOYSA-N 1 1 552.086 6.364 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073981 562709592 /nfs/dbraw/zinc/70/95/92/562709592.db2.gz SCDVTYVEEOZJQT-JWHBBQGKSA-N 1 1 528.722 5.665 1 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)C[N@H+](C)[C@]12c1cccc3cccc(c13)C2=O ZINC000066075529 562709985 /nfs/dbraw/zinc/70/99/85/562709985.db2.gz KDANMDSWGQHKHJ-GNUKNDEPSA-N 1 1 560.650 5.180 1 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)C[N@@H+](C)[C@]12c1cccc3cccc(c13)C2=O ZINC000066075529 562709986 /nfs/dbraw/zinc/70/99/86/562709986.db2.gz KDANMDSWGQHKHJ-GNUKNDEPSA-N 1 1 560.650 5.180 1 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@H+]2CCC[C@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075878 562710044 /nfs/dbraw/zinc/71/00/44/562710044.db2.gz SZNLBOGTJLMSEB-LJECKYQPSA-N 1 1 586.688 5.508 1 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@H+]2CCC[C@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075875 562710053 /nfs/dbraw/zinc/71/00/53/562710053.db2.gz XPNVWCRSEYTHES-JEYYSDHNSA-N 1 1 602.687 5.171 1 0 KKAFMO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104357 562711703 /nfs/dbraw/zinc/71/17/03/562711703.db2.gz VZDMPXBUIWEQHN-UMSFTDKQSA-N 1 1 620.842 6.043 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104357 562711704 /nfs/dbraw/zinc/71/17/04/562711704.db2.gz VZDMPXBUIWEQHN-UMSFTDKQSA-N 1 1 620.842 6.043 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066139028 562713381 /nfs/dbraw/zinc/71/33/81/562713381.db2.gz VFUMNYRTPAPJFI-RCUDDFTLSA-N 1 1 627.807 5.815 3 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066139028 562713382 /nfs/dbraw/zinc/71/33/82/562713382.db2.gz VFUMNYRTPAPJFI-RCUDDFTLSA-N 1 1 627.807 5.815 3 0 KKAFMO CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccc(Br)cc3)C(C)C)cc2)cc1 ZINC000066167288 562714304 /nfs/dbraw/zinc/71/43/04/562714304.db2.gz SOIUUQHALQGWPY-UHFFFAOYSA-N 1 1 572.569 5.130 1 0 KKAFMO Cc1ccc(C(=O)Nc2cc(N3CCC[N@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc21 ZINC000068245928 562716130 /nfs/dbraw/zinc/71/61/30/562716130.db2.gz FTUGGBSHBYYNOW-UHFFFAOYSA-N 1 1 620.680 5.326 1 0 KKAFMO Cc1nc2cc(F)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294460 562716908 /nfs/dbraw/zinc/71/69/08/562716908.db2.gz SGXJYRHEFMZKBV-BETPUDKTSA-N 1 1 550.722 6.916 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@@H]4CCC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297084 562717732 /nfs/dbraw/zinc/71/77/32/562717732.db2.gz DKVWTGMSGYYQCA-XMMPIXPASA-N 1 1 518.610 5.261 1 0 KKAFMO Cc1ccccc1/C=C1\C[N@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1C ZINC000071334647 562719644 /nfs/dbraw/zinc/71/96/44/562719644.db2.gz ALYJDRFVACLTCQ-JCXLJCJISA-N 1 1 537.063 6.731 1 0 KKAFMO S=C1N=C2C(=Cc3cccc4ccccc34)C[N@H+](Cc3ccccc3)CC2[C@H](c2cccc3ccccc32)N1 ZINC000071340718 562719831 /nfs/dbraw/zinc/71/98/31/562719831.db2.gz VTNQOZDFITULBB-GQCCWYFBSA-N 1 1 523.705 7.777 1 0 KKAFMO COc1ccccc1/C=C1\C[N@@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1OC ZINC000071341230 562719944 /nfs/dbraw/zinc/71/99/44/562719944.db2.gz VHYNUZUMDXUILC-JXJSOSRJSA-N 1 1 569.061 6.132 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(O)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072102926 562720300 /nfs/dbraw/zinc/72/03/00/562720300.db2.gz UHOJKTDOKODUSJ-IQLGONJTSA-N 1 1 541.692 5.041 3 0 KKAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103477 562720323 /nfs/dbraw/zinc/72/03/23/562720323.db2.gz OLUKHOPUUWMDEI-PFBJBMPXSA-N 1 1 509.050 5.218 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103197 562720328 /nfs/dbraw/zinc/72/03/28/562720328.db2.gz GTPMMMDYPWSLBL-ZYADHFCISA-N 1 1 676.053 6.857 3 0 KKAFMO C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112522 562722119 /nfs/dbraw/zinc/72/21/19/562722119.db2.gz JZPFDUSVFDKDJU-NYTNZEMMSA-N 1 1 642.769 7.962 1 0 KKAFMO O=C(CNCCNc1c2c([nH+]c3ccccc31)CCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072119655 562723833 /nfs/dbraw/zinc/72/38/33/562723833.db2.gz HCQYXICOBMKIRR-UHFFFAOYSA-N 1 1 513.601 5.123 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000072120310 562723999 /nfs/dbraw/zinc/72/39/99/562723999.db2.gz PUBBBRZNLPBFOS-UHFFFAOYSA-N 1 1 559.129 6.906 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000072120311 562724030 /nfs/dbraw/zinc/72/40/30/562724030.db2.gz NABRLZDRVBQUJZ-UHFFFAOYSA-N 1 1 609.136 7.786 1 0 KKAFMO Cc1ccc(-c2cc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccc(Cl)cc2)cc1 ZINC000072120473 562724050 /nfs/dbraw/zinc/72/40/50/562724050.db2.gz PXLMLYINEMLTJD-UHFFFAOYSA-N 1 1 555.166 7.076 1 0 KKAFMO COc1ccc(-n2nc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(C(F)(F)F)cc2)nn1 ZINC000072121435 562724250 /nfs/dbraw/zinc/72/42/50/562724250.db2.gz CTSWBBGQRXLCOG-UHFFFAOYSA-N 1 1 606.693 5.931 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(c(O)cc4Cl)O[C@@H]2[C@]53CC[N@H+]1CC1CC1 ZINC000072122632 562724577 /nfs/dbraw/zinc/72/45/77/562724577.db2.gz ARMVYVANYSKLSH-LDFHUFRKSA-N 1 1 502.095 5.067 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000072127997 562725977 /nfs/dbraw/zinc/72/59/77/562725977.db2.gz CGLNLVFPHXEQAP-RWYJCYHVSA-N 1 1 653.529 7.008 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072128642 562726095 /nfs/dbraw/zinc/72/60/95/562726095.db2.gz GQWDZONLPIYMSR-WPTHFGHYSA-N 1 1 672.826 7.557 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128741 562726301 /nfs/dbraw/zinc/72/63/01/562726301.db2.gz XIGFKHPASRIFAO-KWRMZWAXSA-N 1 1 664.042 6.626 3 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)Cc6ccc(C(F)(F)F)cc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128781 562726337 /nfs/dbraw/zinc/72/63/37/562726337.db2.gz AGHZIEXSJDHZPW-NGZBDLKASA-N 1 1 644.888 8.265 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(=O)(=O)C(C)C)c(F)cc2F)CC1 ZINC000072129838 562726494 /nfs/dbraw/zinc/72/64/94/562726494.db2.gz AYZQTNVKDVUKMD-BWMKXQIXSA-N 1 1 707.863 7.344 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129942 562726607 /nfs/dbraw/zinc/72/66/07/562726607.db2.gz DMKRCVCDILPMAA-ULJKERAFSA-N 1 1 664.247 6.217 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(C(F)(F)F)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129943 562726634 /nfs/dbraw/zinc/72/66/34/562726634.db2.gz LSEYGFKZVFFFCR-ULJKERAFSA-N 1 1 714.254 7.097 1 0 KKAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@@H+]5CCOC(c6ccccc6)(c6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135662 562727504 /nfs/dbraw/zinc/72/75/04/562727504.db2.gz WPOLWDULHBKHHX-UIGZBQAPSA-N 1 1 569.786 6.029 1 0 KKAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H]([N@H+]5CCOC(c6ccccc6)(c6ccccc6)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000072135662 562727505 /nfs/dbraw/zinc/72/75/05/562727505.db2.gz WPOLWDULHBKHHX-UIGZBQAPSA-N 1 1 569.786 6.029 1 0 KKAFMO CC[N@@H+]1Cc2c(cc3nc4n(-c5ccc(Cl)cc5)nc(C(=O)Nc5ccccc5)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000072138014 562728592 /nfs/dbraw/zinc/72/85/92/562728592.db2.gz PCRGLWKHIPYWKY-JBASAIQMSA-N 1 1 691.235 8.599 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072139472 562728939 /nfs/dbraw/zinc/72/89/39/562728939.db2.gz GRPFDAQJGJEHNF-WNQXLSPZSA-N 1 1 619.989 6.227 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072139655 562729003 /nfs/dbraw/zinc/72/90/03/562729003.db2.gz QKCCYZTVXCUTKJ-WNQXLSPZSA-N 1 1 619.989 6.227 3 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000072140894 562729210 /nfs/dbraw/zinc/72/92/10/562729210.db2.gz PBMALKHQNFBMQF-QNBZCSHPSA-N 1 1 651.767 5.904 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000072141035 562729259 /nfs/dbraw/zinc/72/92/59/562729259.db2.gz LELBVVXWCNYFBB-OSESMHQUSA-N 1 1 645.797 5.595 3 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072142553 562729583 /nfs/dbraw/zinc/72/95/83/562729583.db2.gz ZZDIMCLMLOEIDD-GGHRDNCRSA-N 1 1 681.493 6.244 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146507 562729697 /nfs/dbraw/zinc/72/96/97/562729697.db2.gz DPZGZNAHWBAHEG-QHHIVDTJSA-N 1 1 635.648 9.200 3 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171080 562730468 /nfs/dbraw/zinc/73/04/68/562730468.db2.gz JGUWRDGVCUGGGI-DEOSSOPVSA-N 1 1 556.615 5.296 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172003 562730550 /nfs/dbraw/zinc/73/05/50/562730550.db2.gz JSMYFJXDBDPWRP-XMMPIXPASA-N 1 1 528.605 5.511 1 0 KKAFMO O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173508 562731002 /nfs/dbraw/zinc/73/10/02/562731002.db2.gz BRSFCQHDQJZLBM-OBBFJSJASA-N 1 1 647.048 5.590 1 0 KKAFMO 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 562732975 /nfs/dbraw/zinc/73/29/75/562732975.db2.gz FYEXOHKTNZXZQH-KKEISOQISA-N 1 1 732.966 5.803 1 0 in-vivo KKAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000072190175 562732976 /nfs/dbraw/zinc/73/29/76/562732976.db2.gz FYEXOHKTNZXZQH-KKEISOQISA-N 1 1 732.966 5.803 1 0 in-vivo KKAFMO Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000072190175 562732977 /nfs/dbraw/zinc/73/29/77/562732977.db2.gz FYEXOHKTNZXZQH-KKEISOQISA-N 1 1 732.966 5.803 1 0 in-vivo KKAFMO Cc1nc(Nc2ccc3sc(C(=O)Nc4c(C)cccc4Cl)cc3c2)cc(N2CC[NH+](C)CC2)n1 ZINC000073142321 562733805 /nfs/dbraw/zinc/73/38/05/562733805.db2.gz MRAPVDGQAXFJEG-UHFFFAOYSA-N 1 1 507.063 5.709 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2cccc(NC(C)=O)c2)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073198960 562735919 /nfs/dbraw/zinc/73/59/19/562735919.db2.gz ZESALACGSZAQTP-UHFFFAOYSA-N 1 1 513.657 6.364 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2cccc(NC(=O)OC)c2)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073198963 562735924 /nfs/dbraw/zinc/73/59/24/562735924.db2.gz MGFCEPMRHAQAGX-UHFFFAOYSA-N 1 1 529.656 6.584 1 0 KKAFMO O=C(CN1CCCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000073199103 562735948 /nfs/dbraw/zinc/73/59/48/562735948.db2.gz UFVHMHRJQYQJLV-UHFFFAOYSA-N 1 1 579.691 5.807 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(C(c3cccc4cccnc43)=C3CCN(Cc4cscn4)CC3)cc2)CC1 ZINC000073199167 562735974 /nfs/dbraw/zinc/73/59/74/562735974.db2.gz WZEKVKYZWVQTGZ-UHFFFAOYSA-N 1 1 523.706 5.177 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199719 562736019 /nfs/dbraw/zinc/73/60/19/562736019.db2.gz XWWBOYDUGHVMQG-BJKOFHAPSA-N 1 1 526.633 5.201 1 0 KKAFMO CC[N@@H+]1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311062 562737842 /nfs/dbraw/zinc/73/78/42/562737842.db2.gz GYGZRRGYBJLWRY-AXQPBCOJSA-N 1 1 592.979 6.595 1 0 KKAFMO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CC[NH2+]CC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000082140552 562739516 /nfs/dbraw/zinc/73/95/16/562739516.db2.gz IUGXZGHHAZBCAL-SSEXGKCCSA-N 1 1 710.049 6.306 1 0 KKAFMO CN1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150178 562739764 /nfs/dbraw/zinc/73/97/64/562739764.db2.gz OJKVDKLFJYQQNR-WYJFYEORSA-N 1 1 515.742 5.142 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165086 562741329 /nfs/dbraw/zinc/74/13/29/562741329.db2.gz QXSAFGQAHODVKD-QIKUIUABSA-N 1 1 726.307 5.764 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165069 562741378 /nfs/dbraw/zinc/74/13/78/562741378.db2.gz YPTCVVCGFGDLDX-QIKUIUABSA-N 1 1 709.852 5.249 1 0 KKAFMO COCCCNc1cc[nH+]c(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 ZINC000084544185 562743315 /nfs/dbraw/zinc/74/33/15/562743315.db2.gz UVPPLEVRHDOMOU-UHFFFAOYSA-N 1 1 609.815 7.308 1 0 KKAFMO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595519 562743625 /nfs/dbraw/zinc/74/36/25/562743625.db2.gz RXLHNEPWLCJVNN-HMQVCXRFSA-N 1 1 602.795 6.267 1 0 KKAFMO CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084596725 562743815 /nfs/dbraw/zinc/74/38/15/562743815.db2.gz PHMROSHDKYSTRK-IZLXSDGUSA-N 1 1 607.286 10.566 1 0 KKAFMO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3F)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084602883 562744086 /nfs/dbraw/zinc/74/40/86/562744086.db2.gz NFAPWSOYWOHGQG-UHFFFAOYSA-N 1 1 508.859 5.098 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084614841 562744406 /nfs/dbraw/zinc/74/44/06/562744406.db2.gz BGCCYGFALRFDOR-IZZNHLLZSA-N 1 1 555.113 6.641 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccccc2)n1 ZINC000084633508 562745762 /nfs/dbraw/zinc/74/57/62/562745762.db2.gz HZQAUGPSUMNSMF-LOSJGSFVSA-N 1 1 507.629 5.074 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 ZINC000084689057 562749309 /nfs/dbraw/zinc/74/93/09/562749309.db2.gz AYQQJSQHXLZXMR-HFASVGIHSA-N 1 1 640.772 6.183 1 0 KKAFMO O=C(CC[NH+]1CCCCC1)Nc1ccc(-c2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)c(Cl)c1 ZINC000084708253 562750190 /nfs/dbraw/zinc/75/01/90/562750190.db2.gz ORPOKTQAISYRIO-UHFFFAOYSA-N 1 1 529.822 5.979 1 0 KKAFMO COc1cc(CN(Cc2ccc(C[NH+](Cc3cc(OC)c(O)c(OC)c3)Cc3cc(OC)c(O)c(OC)c3)cc2)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000095536720 562754093 /nfs/dbraw/zinc/75/40/93/562754093.db2.gz KVSVXNRDYPZJNX-UHFFFAOYSA-N 1 1 800.902 6.983 1 0 KKAFMO CN(CCNC(=O)CC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536811 562754174 /nfs/dbraw/zinc/75/41/74/562754174.db2.gz JTGUYKKQPOUVPJ-UHFFFAOYSA-N 1 1 777.713 5.302 1 0 KKAFMO CN(CCNC(=O)CC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536811 562754175 /nfs/dbraw/zinc/75/41/75/562754175.db2.gz JTGUYKKQPOUVPJ-UHFFFAOYSA-N 1 1 777.713 5.302 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538376 562754724 /nfs/dbraw/zinc/75/47/24/562754724.db2.gz PIXHQGLHFSYQEU-JSKSTBSASA-N 1 1 796.778 6.141 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538491 562754855 /nfs/dbraw/zinc/75/48/55/562754855.db2.gz WRVGHUJUOPRDLV-UETQYXGNSA-N 1 1 768.724 5.360 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095539245 562754932 /nfs/dbraw/zinc/75/49/32/562754932.db2.gz QCUBIVMFCWHQOX-QRIZJJBVSA-N 1 1 764.074 6.430 3 0 KKAFMO O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CC[NH+](C2CCN(C(=O)C3CCCCC3)CC2)CC1 ZINC000095544080 562757605 /nfs/dbraw/zinc/75/76/05/562757605.db2.gz DCJJPTOOBKPFNO-UHFFFAOYSA-N 1 1 536.720 5.745 1 0 KKAFMO CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O[C@H]1n1cc(C[N@H+]2C[C@@H](C)C[C@H]3O[C@]4(CC[C@@H]5C(=C4C)C[C@H]4[C@H]5CC=C5C[C@@H](O)CC[C@@]54C)[C@H](C)[C@@H]32)nn1 ZINC000095543594 562757365 /nfs/dbraw/zinc/75/73/65/562757365.db2.gz LBLRSQNQCLLDGI-AZHPAXKSSA-N 1 1 764.961 5.218 1 0 KKAFMO CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O[C@H]1n1cc(C[N@@H+]2C[C@@H](C)C[C@H]3O[C@]4(CC[C@@H]5C(=C4C)C[C@H]4[C@H]5CC=C5C[C@@H](O)CC[C@@]54C)[C@H](C)[C@@H]32)nn1 ZINC000095543594 562757366 /nfs/dbraw/zinc/75/73/66/562757366.db2.gz LBLRSQNQCLLDGI-AZHPAXKSSA-N 1 1 764.961 5.218 1 0 KKAFMO COC(=O)N1CC[NH+]([C@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 ZINC000095544086 562757608 /nfs/dbraw/zinc/75/76/08/562757608.db2.gz NGBACBJFDKYOER-VWLOTQADSA-N 1 1 537.582 5.784 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 ZINC000095546160 562758363 /nfs/dbraw/zinc/75/83/63/562758363.db2.gz UIUVVYHPBWPHDQ-WVBQXTTCSA-N 1 1 769.943 5.358 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095553785 562761064 /nfs/dbraw/zinc/76/10/64/562761064.db2.gz JKKZIEMMHHOACU-UHFFFAOYSA-N 1 1 522.501 6.857 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(OC)cc1 ZINC000095554835 562761448 /nfs/dbraw/zinc/76/14/48/562761448.db2.gz KVJZHYGKVHFRKK-JBENSDGMSA-N 1 1 650.838 6.053 1 0 KKAFMO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccnc(Br)c3)cc2)oc2ccccc12 ZINC000095556927 562761910 /nfs/dbraw/zinc/76/19/10/562761910.db2.gz OIBONPDELOIUDE-UHFFFAOYSA-N 1 1 803.706 8.384 1 0 KKAFMO CCCCc1sc(-c2ccc(OCC[NH+]3CCN(C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559986 562762959 /nfs/dbraw/zinc/76/29/59/562762959.db2.gz DCZWLAKNYOFZPT-UHFFFAOYSA-N 1 1 562.179 7.892 1 0 KKAFMO COc1ccccc1N1CCN(Cc2cc(C[NH+]3CCN(c4ccc(Cl)cc4)CC3)c3cccccc2-3)CC1 ZINC000095561403 562763391 /nfs/dbraw/zinc/76/33/91/562763391.db2.gz VDCBDIRJDJYCIZ-UHFFFAOYSA-N 1 1 541.139 6.098 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095564646 562764410 /nfs/dbraw/zinc/76/44/10/562764410.db2.gz PKQAAOKAAVIVOG-JJJRTKIYSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095565960 562764774 /nfs/dbraw/zinc/76/47/74/562764774.db2.gz HMCLAGFKTYIJCB-LOTJKCTMSA-N 1 1 648.726 6.784 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095566134 562764787 /nfs/dbraw/zinc/76/47/87/562764787.db2.gz DETSJJCDIRAXSN-DOBRQBTGSA-N 1 1 622.766 6.404 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566368 562764963 /nfs/dbraw/zinc/76/49/63/562764963.db2.gz MLZGHAQZJXEDIV-STZBQRKKSA-N 1 1 636.793 6.287 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566672 562765207 /nfs/dbraw/zinc/76/52/07/562765207.db2.gz DTGXRBNGNVLSQA-SGBCODJCSA-N 1 1 672.911 7.791 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566981 562765428 /nfs/dbraw/zinc/76/54/28/562765428.db2.gz HOPYMWLRLXEYET-FBDLJDKSSA-N 1 1 708.816 5.175 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567226 562765591 /nfs/dbraw/zinc/76/55/91/562765591.db2.gz AXRFBZDPAKRYDH-DEMOTUPJSA-N 1 1 735.753 8.718 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567429 562765838 /nfs/dbraw/zinc/76/58/38/562765838.db2.gz BYLIWFZGYMHZPB-XUKQSAIQSA-N 1 1 674.764 7.297 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567743 562766027 /nfs/dbraw/zinc/76/60/27/562766027.db2.gz WRONBNMQJZLSIV-RNDKRWLGSA-N 1 1 648.225 6.160 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567743 562766028 /nfs/dbraw/zinc/76/60/28/562766028.db2.gz WRONBNMQJZLSIV-RNDKRWLGSA-N 1 1 648.225 6.160 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095567759 562766074 /nfs/dbraw/zinc/76/60/74/562766074.db2.gz FGYBIZORLGBRKO-PHLCOOFXSA-N 1 1 588.793 5.021 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568105 562766355 /nfs/dbraw/zinc/76/63/55/562766355.db2.gz NDWKUNXUJXBMPH-YJYIJQSESA-N 1 1 636.749 6.078 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095568325 562766520 /nfs/dbraw/zinc/76/65/20/562766520.db2.gz OYNIYJJSCYRIFI-QAJXPZEFSA-N 1 1 666.775 6.133 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568531 562766736 /nfs/dbraw/zinc/76/67/36/562766736.db2.gz AZOGTZJHFHJISV-YGIZDMHFSA-N 1 1 629.779 5.632 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568531 562766737 /nfs/dbraw/zinc/76/67/37/562766737.db2.gz AZOGTZJHFHJISV-YGIZDMHFSA-N 1 1 629.779 5.632 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568543 562766751 /nfs/dbraw/zinc/76/67/51/562766751.db2.gz CHFYKRHHVBHPRB-WGKZYHDKSA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568666 562766775 /nfs/dbraw/zinc/76/67/75/562766775.db2.gz HSYUUPPAKBJHIW-QWQFASRJSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095569049 562767131 /nfs/dbraw/zinc/76/71/31/562767131.db2.gz DEMCBGNJFOTASI-HQLBTAIYSA-N 1 1 638.589 5.214 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569111 562767179 /nfs/dbraw/zinc/76/71/79/562767179.db2.gz BRPKOIUAXBFUAW-SFXKCFQESA-N 1 1 622.766 6.358 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569166 562767259 /nfs/dbraw/zinc/76/72/59/562767259.db2.gz UIWHTZIAIXNFGN-USUMGCFOSA-N 1 1 718.880 6.249 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569223 562767300 /nfs/dbraw/zinc/76/73/00/562767300.db2.gz JCTQRGBOQISLQK-KWRMZWAXSA-N 1 1 664.042 6.626 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095569727 562767602 /nfs/dbraw/zinc/76/76/02/562767602.db2.gz MWZZJLSSBGSNND-UVNCRYBCSA-N 1 1 614.787 6.285 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569731 562767674 /nfs/dbraw/zinc/76/76/74/562767674.db2.gz DVNKZOFDASKPOO-SUERDDPBSA-N 1 1 806.426 6.903 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095569766 562767684 /nfs/dbraw/zinc/76/76/84/562767684.db2.gz APCAUJZEWHRTOX-KDQDRUBRSA-N 1 1 658.799 7.628 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569841 562767697 /nfs/dbraw/zinc/76/76/97/562767697.db2.gz CGLNLVFPHXEQAP-CUMRGQLISA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095569810 562767731 /nfs/dbraw/zinc/76/77/31/562767731.db2.gz JMGJNBNLVSLZKK-RNDKRWLGSA-N 1 1 631.770 5.646 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095569810 562767732 /nfs/dbraw/zinc/76/77/32/562767732.db2.gz JMGJNBNLVSLZKK-RNDKRWLGSA-N 1 1 631.770 5.646 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570210 562768051 /nfs/dbraw/zinc/76/80/51/562768051.db2.gz NHGHJDDGJPIKGB-GNMOFYLKSA-N 1 1 590.687 5.512 1 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570330 562768132 /nfs/dbraw/zinc/76/81/32/562768132.db2.gz SRAYVMPNBAVWRU-ZYADHFCISA-N 1 1 646.027 6.761 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570583 562768312 /nfs/dbraw/zinc/76/83/12/562768312.db2.gz RIKKTKCVINKHQI-WAPJKPAKSA-N 1 1 667.556 6.937 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570653 562768355 /nfs/dbraw/zinc/76/83/55/562768355.db2.gz CFABTZAAJDECGO-NVOANOBXSA-N 1 1 628.814 6.214 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095570797 562768485 /nfs/dbraw/zinc/76/84/85/562768485.db2.gz FHYFYPZRCDKSKV-HYHRRZRMSA-N 1 1 608.824 5.528 3 0 KKAFMO CCOc1ccccc1C[N@H+]1[C@@H](c2ccc(OC)cc2)CC(C(=O)OC)(C(=O)OC)[C@H]1c1ccccc1 ZINC000095570768 562768521 /nfs/dbraw/zinc/76/85/21/562768521.db2.gz OAGBJEYAKHKCAA-XNMGPUDCSA-N 1 1 503.595 5.115 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095570882 562768550 /nfs/dbraw/zinc/76/85/50/562768550.db2.gz DRQNCGZLFKRWDU-VBEKBXFHSA-N 1 1 691.741 7.375 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571120 562768797 /nfs/dbraw/zinc/76/87/97/562768797.db2.gz IXNRSUPNSZLJQC-CQKZLPGDSA-N 1 1 700.840 6.670 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095571413 562769019 /nfs/dbraw/zinc/76/90/19/562769019.db2.gz AYYGMCZSFFREOB-UXVOWUFOSA-N 1 1 659.805 5.640 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095571553 562769088 /nfs/dbraw/zinc/76/90/88/562769088.db2.gz APSCYXRJDHETQP-XEAUXGAJSA-N 1 1 729.702 7.294 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095571625 562769171 /nfs/dbraw/zinc/76/91/71/562769171.db2.gz YZTRUTCIZFZCCN-OTICXAHMSA-N 1 1 551.090 6.428 1 0 KKAFMO C[N@@H+](CCCCCCCOc1cccc(-c2oc3ccccc3c2C(=O)c2ccccc2)c1)Cc1ccccc1 ZINC000095574280 562769941 /nfs/dbraw/zinc/76/99/41/562769941.db2.gz RLVQAAQOGNZVOX-UHFFFAOYSA-N 1 1 531.696 8.792 1 0 KKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1 ZINC000095576186 562770580 /nfs/dbraw/zinc/77/05/80/562770580.db2.gz OLFQQYIGGPZATM-UHFFFAOYSA-N 1 1 607.794 10.459 1 0 KKAFMO COc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000095577873 562771132 /nfs/dbraw/zinc/77/11/32/562771132.db2.gz PYHGCNIYRRGMIK-UHFFFAOYSA-N 1 1 561.722 8.801 1 0 KKAFMO Nc1cccc2c3c([nH]c21)[C@@H]1Oc2c4c(ccc2OCCc2ccccc2)C[C@H]2[N@H+](CC5CC5)CC[C@]41[C@@]2(O)C3 ZINC000095578268 562771213 /nfs/dbraw/zinc/77/12/13/562771213.db2.gz HXOIETBHRZNHME-WDJKZLNSSA-N 1 1 533.672 5.071 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095586563 562774011 /nfs/dbraw/zinc/77/40/11/562774011.db2.gz UHNUFPLLWSSNDX-UHFFFAOYSA-N 1 1 632.083 7.897 1 0 KKAFMO CC[NH+](CC)Cc1cnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095587190 562774193 /nfs/dbraw/zinc/77/41/93/562774193.db2.gz BEQWMKJDCCUNNX-UHFFFAOYSA-N 1 1 675.796 7.984 1 0 KKAFMO C[N@H+]1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588988 562774818 /nfs/dbraw/zinc/77/48/18/562774818.db2.gz URLFXOAZLHEFBC-CPESWEKQSA-N 1 1 513.515 6.285 1 0 KKAFMO O=C(N[C@@H](C(=O)Nc1cc([C@@H](CO)[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593276 562776194 /nfs/dbraw/zinc/77/61/94/562776194.db2.gz LKLJXPROGULUMH-VSJLXWSYSA-N 1 1 613.714 6.347 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CCC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595902 562776834 /nfs/dbraw/zinc/77/68/34/562776834.db2.gz IOXSETITQBUCMZ-QFIPXVFZSA-N 1 1 532.637 5.508 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598738 562777476 /nfs/dbraw/zinc/77/74/76/562777476.db2.gz KHFPDWFEACXBKS-AWYDNWMNSA-N 1 1 678.251 6.214 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095598829 562777551 /nfs/dbraw/zinc/77/75/51/562777551.db2.gz XJOPVLQFFGEWNL-DDFCPOBKSA-N 1 1 597.678 5.168 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095598872 562777639 /nfs/dbraw/zinc/77/76/39/562777639.db2.gz PIPSXTOHKBCCEO-YUKNNVIKSA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095599194 562777817 /nfs/dbraw/zinc/77/78/17/562777817.db2.gz XHCFGJIATIGRMD-DVIHYUSWSA-N 1 1 650.780 5.517 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599244 562777888 /nfs/dbraw/zinc/77/78/88/562777888.db2.gz JUEHVKXRGUAEIX-YDLQOJJBSA-N 1 1 753.690 8.584 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095599529 562778115 /nfs/dbraw/zinc/77/81/15/562778115.db2.gz PIPSXTOHKBCCEO-GJWZSCNASA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095599830 562778376 /nfs/dbraw/zinc/77/83/76/562778376.db2.gz ZWEDFXZUTGJBMW-ZTNZZFSWSA-N 1 1 593.690 6.354 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095600116 562778660 /nfs/dbraw/zinc/77/86/60/562778660.db2.gz DQMSHBPWTQYHPD-ORVIQXKCSA-N 1 1 690.631 7.202 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600188 562778710 /nfs/dbraw/zinc/77/87/10/562778710.db2.gz QMCFBRPLMVFDBX-BEAGFIRGSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095600238 562778753 /nfs/dbraw/zinc/77/87/53/562778753.db2.gz RHIRSHDZZYQPIK-RPQPUBLWSA-N 1 1 627.789 6.275 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095600519 562779000 /nfs/dbraw/zinc/77/90/00/562779000.db2.gz IQSVNIDGIMJPQN-NWDSAUNBSA-N 1 1 592.740 5.282 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095600654 562779088 /nfs/dbraw/zinc/77/90/88/562779088.db2.gz LMBSBKQGYSXUIA-DDAOWKICSA-N 1 1 798.853 8.031 1 0 KKAFMO 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)NC3CCCCC3)cc2C1=O ZINC000095600700 562779169 /nfs/dbraw/zinc/77/91/69/562779169.db2.gz ZGZURALGAMDSDO-VUYBWUDLSA-N 1 1 690.848 7.087 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600846 562779251 /nfs/dbraw/zinc/77/92/51/562779251.db2.gz XMCNJBIDJBGVOV-YUAZXLJXSA-N 1 1 716.297 5.797 1 0 KKAFMO 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)NC3CCCCC3)cc2C1=O ZINC000095600853 562779260 /nfs/dbraw/zinc/77/92/60/562779260.db2.gz ZGZURALGAMDSDO-GHVZQYPWSA-N 1 1 690.848 7.087 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095601001 562779431 /nfs/dbraw/zinc/77/94/31/562779431.db2.gz JUEHVKXRGUAEIX-FOXNFBMGSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095601257 562779465 /nfs/dbraw/zinc/77/94/65/562779465.db2.gz QAVYVNAGSVFDOJ-NJQVLOCASA-N 1 1 698.692 6.455 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095602021 562779884 /nfs/dbraw/zinc/77/98/84/562779884.db2.gz FJNSKGNJNIWDNP-OWOAZTCBSA-N 1 1 640.124 5.512 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095602021 562779885 /nfs/dbraw/zinc/77/98/85/562779885.db2.gz FJNSKGNJNIWDNP-OWOAZTCBSA-N 1 1 640.124 5.512 1 0 KKAFMO 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)NC3CCCCC3)cc2C1=O ZINC000095602346 562780038 /nfs/dbraw/zinc/78/00/38/562780038.db2.gz ZGZURALGAMDSDO-IAYPMUAMSA-N 1 1 690.848 7.087 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095602394 562780051 /nfs/dbraw/zinc/78/00/51/562780051.db2.gz BYUWMZXSAAGXAD-IOKPGSKQSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095602394 562780052 /nfs/dbraw/zinc/78/00/52/562780052.db2.gz BYUWMZXSAAGXAD-IOKPGSKQSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095602723 562780209 /nfs/dbraw/zinc/78/02/09/562780209.db2.gz ZMUNMDKTHUEIDP-XUKQSAIQSA-N 1 1 645.797 5.575 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095603371 562780526 /nfs/dbraw/zinc/78/05/26/562780526.db2.gz AIDUNWUCHWLKPO-BBUMLKAKSA-N 1 1 650.776 6.007 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603439 562780562 /nfs/dbraw/zinc/78/05/62/562780562.db2.gz LZRMYYQDLQFCEK-QVEDPAKJSA-N 1 1 728.809 7.006 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603715 562780626 /nfs/dbraw/zinc/78/06/26/562780626.db2.gz VYACBIYDVUCBDQ-CLWPXKJUSA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603721 562780655 /nfs/dbraw/zinc/78/06/55/562780655.db2.gz RXIJSVCALBVVES-YUKNNVIKSA-N 1 1 706.733 6.722 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604014 562780747 /nfs/dbraw/zinc/78/07/47/562780747.db2.gz NIQNUTWSSZLHED-OAGJSAJJSA-N 1 1 643.891 5.795 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095605166 562781456 /nfs/dbraw/zinc/78/14/56/562781456.db2.gz CBQVGICLIDWTFD-HNMNOHOESA-N 1 1 620.599 5.075 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095605375 562781472 /nfs/dbraw/zinc/78/14/72/562781472.db2.gz SWHQDKJXWQFGPY-WMUWJOOSSA-N 1 1 643.568 5.647 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095605640 562781642 /nfs/dbraw/zinc/78/16/42/562781642.db2.gz MXAUBRBUARVCOA-DKGMKSHISA-N 1 1 598.666 5.630 1 0 KKAFMO COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)C[N@@H+](CC2CCCCC2)[C@H]1CO ZINC000095666412 562788229 /nfs/dbraw/zinc/78/82/29/562788229.db2.gz XKHKGEXEYHPOPX-VWLOTQADSA-N 1 1 508.732 5.107 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3ncc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787322 /nfs/dbraw/zinc/78/73/22/562787322.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 1 1 504.650 5.012 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](CN2CCC(c3[nH+]cc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787323 /nfs/dbraw/zinc/78/73/23/562787323.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 1 1 504.650 5.012 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](CN2CCC(c3[nH+]cc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787324 /nfs/dbraw/zinc/78/73/24/562787324.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 1 1 504.650 5.012 1 0 KKAFMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@@H](c2ccc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)C1 ZINC000095610675 562784544 /nfs/dbraw/zinc/78/45/44/562784544.db2.gz AAOCWUJDPXXWHS-MUUNZHRXSA-N 1 1 736.644 7.563 1 0 KKAFMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670338 562788234 /nfs/dbraw/zinc/78/82/34/562788234.db2.gz GLCDSMRSFSVQSW-SQHAQQRYSA-N 1 1 516.560 5.546 1 0 KKAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)Nc2ccc3ncsc3c2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095612360 562785456 /nfs/dbraw/zinc/78/54/56/562785456.db2.gz MBSLLLUGFJMESC-BMYMHALSSA-N 1 1 809.002 5.582 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3ncc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615499 562787321 /nfs/dbraw/zinc/78/73/21/562787321.db2.gz JURAKFHVLFDHDI-HNPKZYAISA-N 1 1 504.650 5.012 1 0 KKAFMO COC[C@H](C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665570 562788167 /nfs/dbraw/zinc/78/81/67/562788167.db2.gz HANODCRUSHRKJT-RROHFTNDSA-N 1 1 608.739 6.132 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000095670083 562788243 /nfs/dbraw/zinc/78/82/43/562788243.db2.gz AJUAJKZVPJDBSA-WIOPSUGQSA-N 1 1 538.404 6.350 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000095670063 562788249 /nfs/dbraw/zinc/78/82/49/562788249.db2.gz CZVLXTAHCSHXFS-WIOPSUGQSA-N 1 1 527.505 6.606 1 0 KKAFMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670340 562788299 /nfs/dbraw/zinc/78/82/99/562788299.db2.gz GLCDSMRSFSVQSW-IGKIAQTJSA-N 1 1 516.560 5.546 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000095680149 562788377 /nfs/dbraw/zinc/78/83/77/562788377.db2.gz YJCJPPNKEWBJHB-DQCZWYHMSA-N 1 1 572.731 5.555 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680093 562788393 /nfs/dbraw/zinc/78/83/93/562788393.db2.gz AYFIOZIDKGBGDF-IHMCZWCLSA-N 1 1 602.757 5.563 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@H]2C)cc1 ZINC000095692023 562788506 /nfs/dbraw/zinc/78/85/06/562788506.db2.gz AXRPYCYFPRGHTO-IEOSBIPESA-N 1 1 602.757 5.563 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095752568 562788792 /nfs/dbraw/zinc/78/87/92/562788792.db2.gz BACUFSHCHJQBQC-FOWIORFYSA-N 1 1 652.877 6.647 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095773770 562789015 /nfs/dbraw/zinc/78/90/15/562789015.db2.gz GFVNWDBMZVYSCS-RXEQZPOXSA-N 1 1 694.833 5.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095775984 562789034 /nfs/dbraw/zinc/78/90/34/562789034.db2.gz VLABVJXETLVVIO-DKGMKSHISA-N 1 1 554.707 5.131 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833204 562789346 /nfs/dbraw/zinc/78/93/46/562789346.db2.gz RPCBUSZJYVBWAG-UNTHUGQZSA-N 1 1 650.801 6.693 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095833542 562789391 /nfs/dbraw/zinc/78/93/91/562789391.db2.gz IVGISJLMDFIDFY-ISCCLHIJSA-N 1 1 590.687 6.082 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1cccc(SC(F)(F)F)c1 ZINC000095842785 562789424 /nfs/dbraw/zinc/78/94/24/562789424.db2.gz UJZCMGCTDZAKKC-UHFFFAOYSA-N 1 1 569.571 7.040 1 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095837918 562789445 /nfs/dbraw/zinc/78/94/45/562789445.db2.gz JQPAJQARRJIYSV-XIWHWFKQSA-N 1 1 622.766 6.358 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095853129 562789605 /nfs/dbraw/zinc/78/96/05/562789605.db2.gz VESPUZANCIEHEA-NIAOJTHTSA-N 1 1 636.598 5.155 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095859651 562789707 /nfs/dbraw/zinc/78/97/07/562789707.db2.gz RBDGKEGTWTXSMS-GGJMMHKRSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867111 562789788 /nfs/dbraw/zinc/78/97/88/562789788.db2.gz SEJLCTYRTRPGEU-PNRGXICFSA-N 1 1 597.756 5.497 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095869023 562789898 /nfs/dbraw/zinc/78/98/98/562789898.db2.gz HQAZDFNOZXZGFG-IEOSBIPESA-N 1 1 540.626 5.862 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868915 562789917 /nfs/dbraw/zinc/78/99/17/562789917.db2.gz ZWEDFXZUTGJBMW-IQLGONJTSA-N 1 1 593.690 6.354 1 0 KKAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)CCC[NH+]4CCCC4)cc3)nc12 ZINC000096167812 562790544 /nfs/dbraw/zinc/79/05/44/562790544.db2.gz MPVPFINAVYOCKM-UHFFFAOYSA-N 1 1 556.519 6.310 1 0 KKAFMO CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169829 562790906 /nfs/dbraw/zinc/79/09/06/562790906.db2.gz GOWVPXNIYHDDAK-UHFFFAOYSA-N 1 1 566.628 5.435 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1F ZINC000096270742 562793355 /nfs/dbraw/zinc/79/33/55/562793355.db2.gz AZZAXSOMHADXBU-UHFFFAOYSA-N 1 1 703.771 6.844 1 0 KKAFMO CC(C)[NH+]1CCN(C(=O)c2ccc(-c3cnc(N)c(S[C@H](C)c4c(Cl)ccc(F)c4Cl)c3)cc2)CC1 ZINC000096285934 562795959 /nfs/dbraw/zinc/79/59/59/562795959.db2.gz FNDCIFUGROKUDX-QGZVFWFLSA-N 1 1 547.527 6.796 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302071 562796238 /nfs/dbraw/zinc/79/62/38/562796238.db2.gz RJVRDLDDCGQDGE-PBFQYQTBSA-N 1 1 620.810 6.044 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302072 562796247 /nfs/dbraw/zinc/79/62/47/562796247.db2.gz FSHOMAHJUYDWJR-NGZLLANBSA-N 1 1 616.866 7.325 1 0 KKAFMO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+]([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000096309559 562796490 /nfs/dbraw/zinc/79/64/90/562796490.db2.gz IVAGVKBJNJSFFA-NBGIEHNGSA-N 1 1 525.878 5.109 1 0 KKAFMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+]([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000096309559 562796491 /nfs/dbraw/zinc/79/64/91/562796491.db2.gz IVAGVKBJNJSFFA-NBGIEHNGSA-N 1 1 525.878 5.109 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908964 562799500 /nfs/dbraw/zinc/79/95/00/562799500.db2.gz ZFEYMTGWHMQIRG-XMMPIXPASA-N 1 1 624.811 7.813 1 0 KKAFMO CC(C)[C@@H](C[N@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000096909598 562799624 /nfs/dbraw/zinc/79/96/24/562799624.db2.gz QGFMHKNZYUPZNZ-RBTNQOKQSA-N 1 1 541.614 6.168 1 0 KKAFMO C[N@H+]1CCc2cc(-c3ccc4oc5c(c4c3)n(CCN3CCC(F)(F)C3)c(=O)nc5-c3ccccc3)ccc2C1 ZINC000096909792 562799769 /nfs/dbraw/zinc/79/97/69/562799769.db2.gz ZXMABQSFPFLMFD-UHFFFAOYSA-N 1 1 540.614 5.806 1 0 KKAFMO COc1ccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)cc1 ZINC000096910119 562799868 /nfs/dbraw/zinc/79/98/68/562799868.db2.gz LONCFUZSLDPGLJ-PZGXJGMVSA-N 1 1 503.643 5.158 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1F ZINC000096927382 562802637 /nfs/dbraw/zinc/80/26/37/562802637.db2.gz CASORRYOKCLYHM-UHFFFAOYSA-N 1 1 726.727 8.762 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1F ZINC000096927383 562802648 /nfs/dbraw/zinc/80/26/48/562802648.db2.gz JWBIRUQIIICINA-UHFFFAOYSA-N 1 1 672.757 8.052 1 0 KKAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccccc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939393 562804780 /nfs/dbraw/zinc/80/47/80/562804780.db2.gz QWWUHAGONCTPJG-HSZRJFAPSA-N 1 1 507.965 5.502 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)(C)C)C2 ZINC000100076420 562806650 /nfs/dbraw/zinc/80/66/50/562806650.db2.gz SFGZIFPFBZEGEC-CSSKISATSA-N 1 1 596.820 6.727 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143965 562809461 /nfs/dbraw/zinc/80/94/61/562809461.db2.gz IZTNHWMAUPLTML-ASZYYYDVSA-N 1 1 510.037 5.676 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193585 562809850 /nfs/dbraw/zinc/80/98/50/562809850.db2.gz HTVPBKMQDVVVRD-MNHGUUTPSA-N 1 1 598.738 7.041 1 0 KKAFMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1c(F)cccc1F ZINC000101338033 562810375 /nfs/dbraw/zinc/81/03/75/562810375.db2.gz UJXZIZJAELMUHW-RIVGWTAASA-N 1 1 506.584 5.059 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CC3CCCCC3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000101691448 562811786 /nfs/dbraw/zinc/81/17/86/562811786.db2.gz JMEJNSTXGQNDRT-QUFBTCJSSA-N 1 1 544.736 6.284 1 0 KKAFMO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696220 562811842 /nfs/dbraw/zinc/81/18/42/562811842.db2.gz NTPDWLWNIDHMMF-QFIPXVFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CC[N@H+]1CCC[C@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696220 562811843 /nfs/dbraw/zinc/81/18/43/562811843.db2.gz NTPDWLWNIDHMMF-QFIPXVFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CC(=O)N1CC[NH+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696541 562811976 /nfs/dbraw/zinc/81/19/76/562811976.db2.gz SXBFFWXSDNBDGZ-UHFFFAOYSA-N 1 1 583.710 5.207 1 0 KKAFMO COc1cc(CCC(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806558 562813327 /nfs/dbraw/zinc/81/33/27/562813327.db2.gz JXCYICKXOWATCA-VWDNVJOOSA-N 1 1 643.774 5.625 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103100265 562814298 /nfs/dbraw/zinc/81/42/98/562814298.db2.gz GYWUGKYGQVCSEZ-ZCHVARTASA-N 1 1 641.758 5.706 1 0 KKAFMO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000103135082 562814446 /nfs/dbraw/zinc/81/44/46/562814446.db2.gz HFZJXDJGOXFFIC-HSZRJFAPSA-N 1 1 501.030 5.715 1 0 KKAFMO CCCCC[C@@H](C)[N@H+](Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218548 562817299 /nfs/dbraw/zinc/81/72/99/562817299.db2.gz FIONLWWAACCOFK-DJUQAAIZSA-N 1 1 582.782 6.954 1 0 KKAFMO CCCCC[C@@H](C)[N@@H+](Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218548 562817300 /nfs/dbraw/zinc/81/73/00/562817300.db2.gz FIONLWWAACCOFK-DJUQAAIZSA-N 1 1 582.782 6.954 1 0 KKAFMO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CC[NH+]3CCOCC3)[C@@H]12 ZINC000103224886 562817613 /nfs/dbraw/zinc/81/76/13/562817613.db2.gz WWSYFLXVNQQSAF-JORIVFIJSA-N 1 1 514.710 6.482 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227175 562817866 /nfs/dbraw/zinc/81/78/66/562817866.db2.gz KLDQNAOVPPWNBT-OWWCKCFISA-N 1 1 541.731 6.168 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccco2)CC1 ZINC000103233992 562818510 /nfs/dbraw/zinc/81/85/10/562818510.db2.gz IUXJXLMGFCINNP-PKQPGRETSA-N 1 1 536.720 6.760 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)NCCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000103236305 562818843 /nfs/dbraw/zinc/81/88/43/562818843.db2.gz IRLVGQWQTKPTLJ-KEQILJCXSA-N 1 1 554.094 6.185 1 0 KKAFMO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCCCCCC[N@@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241419 562819602 /nfs/dbraw/zinc/81/96/02/562819602.db2.gz UNXUBWQEVXWNCW-UHFFFAOYSA-N 1 1 568.802 8.938 1 0 KKAFMO COC(=O)[C@](CCC[N@@H+]1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265087 562822068 /nfs/dbraw/zinc/82/20/68/562822068.db2.gz VJNSKFRRVHJJRE-MHZLTWQESA-N 1 1 500.477 6.094 1 0 KKAFMO CC[N@@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000103299661 562824880 /nfs/dbraw/zinc/82/48/80/562824880.db2.gz XPQCSVSGABSVCD-CCEZHUSRSA-N 1 1 503.683 7.344 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)CN(C)C4 ZINC000105448230 562825212 /nfs/dbraw/zinc/82/52/12/562825212.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 1 1 608.735 6.859 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)CN(C)C4 ZINC000105448230 562825213 /nfs/dbraw/zinc/82/52/13/562825213.db2.gz ZJMYHEVTMWXXMA-ABYGYWHVSA-N 1 1 608.735 6.859 1 0 KKAFMO C[NH+](C)CCc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114035420 562827012 /nfs/dbraw/zinc/82/70/12/562827012.db2.gz JIBOBEAPOUYGHV-UHFFFAOYSA-N 1 1 504.005 6.840 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC000114098014 562827553 /nfs/dbraw/zinc/82/75/53/562827553.db2.gz VGWPBULXNAUXJI-HSZRJFAPSA-N 1 1 512.094 5.366 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000114100312 562827744 /nfs/dbraw/zinc/82/77/44/562827744.db2.gz SVZJPUWYVAXFNM-XMMPIXPASA-N 1 1 513.078 5.333 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@@H]3CC[N@@H+](C)C3)cn2)c1=O ZINC000116053915 562829134 /nfs/dbraw/zinc/82/91/34/562829134.db2.gz MPJHYCDNGHGKCK-OAQYLSRUSA-N 1 1 613.759 5.385 1 0 KKAFMO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCCC[NH+]1CCOCC1)C(=O)C2 ZINC000118796398 562830644 /nfs/dbraw/zinc/83/06/44/562830644.db2.gz KBSIRPIXPFGKMT-MGBGTMOVSA-N 1 1 579.137 6.226 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)c2cccs2)C1 ZINC000138610111 562832048 /nfs/dbraw/zinc/83/20/48/562832048.db2.gz RYECAVBLJLROOW-YLQXFRFJSA-N 1 1 536.569 6.277 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](c2c[nH]c3ccccc32)[C@H](O)C1 ZINC000138614127 562832121 /nfs/dbraw/zinc/83/21/21/562832121.db2.gz KXZLPSIOZXQKOP-RRDWJJQPSA-N 1 1 500.470 5.625 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000139023081 562832308 /nfs/dbraw/zinc/83/23/08/562832308.db2.gz LFZMHPBICVCVNB-XMMPIXPASA-N 1 1 512.094 5.000 1 0 KKAFMO C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)C1 ZINC000140518510 562833113 /nfs/dbraw/zinc/83/31/13/562833113.db2.gz BUANHUJQTZLXSX-GMAHTHKFSA-N 1 1 514.686 5.033 1 0 KKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140518749 562833117 /nfs/dbraw/zinc/83/31/17/562833117.db2.gz BFYZNAOKDWKLBO-OZXSUGGESA-N 1 1 584.683 5.616 1 0 KKAFMO C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140518303 562833135 /nfs/dbraw/zinc/83/31/35/562833135.db2.gz JUZWOJQHVONRPX-GMAHTHKFSA-N 1 1 564.693 5.913 1 0 KKAFMO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[NH+](C)CC6)nc5)c4)nc(C)n3)cc12 ZINC000142204386 562834012 /nfs/dbraw/zinc/83/40/12/562834012.db2.gz LXWMGHPVCFXNBT-NRFANRHFSA-N 1 1 519.653 5.889 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144266257 562836018 /nfs/dbraw/zinc/83/60/18/562836018.db2.gz AHIJWSZQOHIMAS-UHFFFAOYSA-N 1 1 533.676 5.558 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc([C@H]3CCC[N@@H+]3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288326 562836047 /nfs/dbraw/zinc/83/60/47/562836047.db2.gz LGSGFTMLNOAYCK-GDLZYMKVSA-N 1 1 504.634 6.578 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957340 562837847 /nfs/dbraw/zinc/83/78/47/562837847.db2.gz QKCSOFLQSGMOTA-MOPGFXCFSA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957340 562837848 /nfs/dbraw/zinc/83/78/48/562837848.db2.gz QKCSOFLQSGMOTA-MOPGFXCFSA-N 1 1 591.537 5.080 1 0 KKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872008 562838881 /nfs/dbraw/zinc/83/88/81/562838881.db2.gz IYBGHBZUXSMOKI-GKCHCDMOSA-N 1 1 506.650 6.115 1 0 KKAFMO Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[NH+](C)CC3)nc21 ZINC000148236851 562840630 /nfs/dbraw/zinc/84/06/30/562840630.db2.gz GRLQBTYKXARJPK-UHFFFAOYSA-N 1 1 556.980 5.148 1 0 KKAFMO COc1c(C[NH+]2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCOCC4)nc32)c1 ZINC000148346181 562841098 /nfs/dbraw/zinc/84/10/98/562841098.db2.gz ZHSUZWFZYDTTLZ-UHFFFAOYSA-N 1 1 622.652 5.184 1 0 KKAFMO COc1cc(N2CCC[N@@H+](C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148753009 562841783 /nfs/dbraw/zinc/84/17/83/562841783.db2.gz MQCNUAFNUAISQK-UHFFFAOYSA-N 1 1 514.998 5.016 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148829490 562841820 /nfs/dbraw/zinc/84/18/20/562841820.db2.gz UMBAXYUNLBBCLW-VWLOTQADSA-N 1 1 524.105 5.890 1 0 KKAFMO CCN(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 562847660 /nfs/dbraw/zinc/84/76/60/562847660.db2.gz ASFUWJHTRWCQLF-IYTFMMMVSA-N 1 1 775.014 8.847 1 0 KKAFMO CCN(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 562847661 /nfs/dbraw/zinc/84/76/61/562847661.db2.gz ASFUWJHTRWCQLF-IYTFMMMVSA-N 1 1 775.014 8.847 1 0 KKAFMO CC[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606285 562847874 /nfs/dbraw/zinc/84/78/74/562847874.db2.gz SKOJQVCTPDDCCR-MFACQUFMSA-N 1 1 678.919 5.818 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163632848 562849384 /nfs/dbraw/zinc/84/93/84/562849384.db2.gz KHZJHZKEYDLJSM-SWBIORQWSA-N 1 1 653.803 5.375 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163632848 562849385 /nfs/dbraw/zinc/84/93/85/562849385.db2.gz KHZJHZKEYDLJSM-SWBIORQWSA-N 1 1 653.803 5.375 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCC[N@@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163639863 562849390 /nfs/dbraw/zinc/84/93/90/562849390.db2.gz BOLHCUZVJPHIDF-FLSDQSJTSA-N 1 1 681.857 5.808 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(CCC[N@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)nn1C ZINC000163639863 562849391 /nfs/dbraw/zinc/84/93/91/562849391.db2.gz BOLHCUZVJPHIDF-FLSDQSJTSA-N 1 1 681.857 5.808 1 0 KKAFMO CCNc1nnc(-c2ccc(C3=CCN(C(=O)C[N@H+]4CC[C@@](OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)c(F)c2)o1 ZINC000165581014 562850283 /nfs/dbraw/zinc/85/02/83/562850283.db2.gz LKDDLRNTWQGUHF-BHVANESWSA-N 1 1 682.732 5.335 1 0 KKAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(C)cn21 ZINC000166664846 562850433 /nfs/dbraw/zinc/85/04/33/562850433.db2.gz LFRPXRBPJQZTMI-UHFFFAOYSA-N 1 1 527.636 5.193 1 0 KKAFMO Cc1cn2c(n1)nc(-c1ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000166683912 562850451 /nfs/dbraw/zinc/85/04/51/562850451.db2.gz KUPCIMLXVLSZBL-UHFFFAOYSA-N 1 1 555.690 5.972 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccc(C(F)(F)F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166691513 562850478 /nfs/dbraw/zinc/85/04/78/562850478.db2.gz HEXVXEKKZNKKSL-UHFFFAOYSA-N 1 1 567.619 7.041 1 0 KKAFMO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[N@@H+]6C[C@@H](C)N[C@@H](C)C6)cc5)c4)CC3)cn21 ZINC000167522943 562850885 /nfs/dbraw/zinc/85/08/85/562850885.db2.gz QRGFWLQABJUBCF-FLSDQSJTSA-N 1 1 689.836 6.289 1 0 KKAFMO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[N@H+]6C[C@@H](C)N[C@@H](C)C6)cc5)c4)CC3)cn21 ZINC000167522943 562850886 /nfs/dbraw/zinc/85/08/86/562850886.db2.gz QRGFWLQABJUBCF-FLSDQSJTSA-N 1 1 689.836 6.289 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000168089188 562851258 /nfs/dbraw/zinc/85/12/58/562851258.db2.gz AWYGAVYSWRPYNI-UHFFFAOYSA-N 1 1 591.517 6.222 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293599 562852085 /nfs/dbraw/zinc/85/20/85/562852085.db2.gz HLMMHUFTDWSTBP-FCHUYYIVSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293599 562852086 /nfs/dbraw/zinc/85/20/86/562852086.db2.gz HLMMHUFTDWSTBP-FCHUYYIVSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293599 562852087 /nfs/dbraw/zinc/85/20/87/562852087.db2.gz HLMMHUFTDWSTBP-FCHUYYIVSA-N 1 1 504.631 5.159 1 0 KKAFMO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310154 562854663 /nfs/dbraw/zinc/85/46/63/562854663.db2.gz UWULGUFSFZJDEY-ULPIOCOXSA-N 1 1 580.685 5.231 1 0 KKAFMO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310151 562854680 /nfs/dbraw/zinc/85/46/80/562854680.db2.gz UWULGUFSFZJDEY-OVMXQCPESA-N 1 1 580.685 5.231 1 0 KKAFMO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310148 562854713 /nfs/dbraw/zinc/85/47/13/562854713.db2.gz UWULGUFSFZJDEY-MKGJDZFWSA-N 1 1 580.685 5.231 1 0 KKAFMO CCCC[NH+](CCCC)CCCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318823 562856113 /nfs/dbraw/zinc/85/61/13/562856113.db2.gz GCRBXCBZFWYJAB-CXMJEVNXSA-N 1 1 550.872 8.074 1 0 KKAFMO 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 562857015 /nfs/dbraw/zinc/85/70/15/562857015.db2.gz GHEXUPCRJJWFHU-FNNIOBQYSA-N 1 1 729.340 6.714 1 0 KKAFMO 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 562857016 /nfs/dbraw/zinc/85/70/16/562857016.db2.gz GHEXUPCRJJWFHU-FNNIOBQYSA-N 1 1 729.340 6.714 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000169323778 562857189 /nfs/dbraw/zinc/85/71/89/562857189.db2.gz IOGWLHKMGADYHU-UHFFFAOYSA-N 1 1 572.504 6.709 1 0 KKAFMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000169328267 562858353 /nfs/dbraw/zinc/85/83/53/562858353.db2.gz VTLGZAPEXMQVJB-VKAIGLIFSA-N 1 1 628.809 7.298 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C[C@@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000169329758 562858578 /nfs/dbraw/zinc/85/85/78/562858578.db2.gz NRQKOIIFRGQHPK-LQFQNGICSA-N 1 1 627.867 6.098 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343518 562861182 /nfs/dbraw/zinc/86/11/82/562861182.db2.gz QXBBLTVHGIMTJE-PTKZXZCGSA-N 1 1 699.814 8.614 1 0 KKAFMO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](C)C[N@H+](C)CC3)ncc1Cl ZINC000169345258 562861563 /nfs/dbraw/zinc/86/15/63/562861563.db2.gz RMBJAPLSOZTGDA-QGZVFWFLSA-N 1 1 500.068 5.391 1 0 KKAFMO CCOC(=O)/C=C/C(=O)Nc1ccccc1CCC[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346317 562861766 /nfs/dbraw/zinc/86/17/66/562861766.db2.gz UHHMKYFIVVBCLB-ZPLHYYKDSA-N 1 1 502.655 5.141 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000169373563 562864911 /nfs/dbraw/zinc/86/49/11/562864911.db2.gz DCZQYXXNARKPSE-GVPNVNDJSA-N 1 1 573.690 5.691 3 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)[C@H](C)[C@@H]3C)n1 ZINC000169685400 562865056 /nfs/dbraw/zinc/86/50/56/562865056.db2.gz URXFMIYXZSCJFM-RSMHBEIYSA-N 1 1 602.494 6.036 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)[C@H](C)[C@@H]3C)n1 ZINC000169685400 562865057 /nfs/dbraw/zinc/86/50/57/562865057.db2.gz URXFMIYXZSCJFM-RSMHBEIYSA-N 1 1 602.494 6.036 1 0 KKAFMO Cc1nccn1Cc1cccc(CC(=O)Nc2nnc(CCCCc3nnc(NC(=O)Cc4cccc(Cn5cc[nH+]c5C)c4)s3)s2)c1 ZINC000169698171 562866975 /nfs/dbraw/zinc/86/69/75/562866975.db2.gz IENXRZKVERFFHZ-UHFFFAOYSA-N 1 1 680.864 5.424 1 0 KKAFMO CC[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199802529 562873130 /nfs/dbraw/zinc/87/31/30/562873130.db2.gz CTHQUTHHHNLCMC-GCJKJVERSA-N 1 1 528.607 5.078 1 0 KKAFMO C[NH+](C)[C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988549 562874230 /nfs/dbraw/zinc/87/42/30/562874230.db2.gz RUHPPIMINRPEER-OAQYLSRUSA-N 1 1 546.046 6.272 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000219343175 562878060 /nfs/dbraw/zinc/87/80/60/562878060.db2.gz GXWACTLDHJZZJS-FQEVSTJZSA-N 1 1 520.008 5.881 1 0 KKAFMO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253635612 562882242 /nfs/dbraw/zinc/88/22/42/562882242.db2.gz XOQWEZVGZTXXBC-QCKMFSDUSA-N 1 1 531.737 5.287 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299832209 562885819 /nfs/dbraw/zinc/88/58/19/562885819.db2.gz FKIGNRIKSXHZMX-UHFFFAOYSA-N 1 1 693.702 6.351 1 0 KKAFMO Cc1c(C(=O)CCC(F)(F)F)cnn1-c1ccc(NC(=O)c2cn(CC(=O)N3CC[NH+](C)CC3)c3ccc(Cl)cc23)cc1 ZINC000299834806 562886559 /nfs/dbraw/zinc/88/65/59/562886559.db2.gz VPAGCBLLJMPOTC-UHFFFAOYSA-N 1 1 615.056 5.340 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299840533 562888589 /nfs/dbraw/zinc/88/85/89/562888589.db2.gz XYMHLMDLDHRKKO-UHFFFAOYSA-N 1 1 767.656 6.905 1 0 KKAFMO Cc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299854574 562891391 /nfs/dbraw/zinc/89/13/91/562891391.db2.gz AJBVFXOBGJCYGI-UHFFFAOYSA-N 1 1 522.624 5.627 1 0 KKAFMO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299854693 562891422 /nfs/dbraw/zinc/89/14/22/562891422.db2.gz BASFZZGEGBLXOZ-UHFFFAOYSA-N 1 1 603.948 6.595 1 0 KKAFMO O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299858407 562892415 /nfs/dbraw/zinc/89/24/15/562892415.db2.gz RGVYBZYQLHLRFW-UHFFFAOYSA-N 1 1 559.497 6.486 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cccc(OC)c2O1 ZINC000473081248 562896611 /nfs/dbraw/zinc/89/66/11/562896611.db2.gz BAGZBXHIYGKWKZ-HHHXNRCGSA-N 1 1 558.038 5.413 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000473084996 562896902 /nfs/dbraw/zinc/89/69/02/562896902.db2.gz VDZDLBDPLHVARY-SANMLTNESA-N 1 1 596.902 6.711 1 0 KKAFMO CCCCCC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086934 562897136 /nfs/dbraw/zinc/89/71/36/562897136.db2.gz DKSHOXGORCHPFY-GDLZYMKVSA-N 1 1 543.708 5.681 1 0 KKAFMO CCCCCC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086934 562897135 /nfs/dbraw/zinc/89/71/35/562897135.db2.gz DKSHOXGORCHPFY-GDLZYMKVSA-N 1 1 543.708 5.681 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3cc[nH+]c4cc(-c5cccc(N6CCOCC6)c5)ccc34)cc2Cl)c1 ZINC000473090282 562897510 /nfs/dbraw/zinc/89/75/10/562897510.db2.gz OCOQMPPHKJBPIZ-UHFFFAOYSA-N 1 1 540.038 7.854 1 0 KKAFMO CC(=O)O[C@H](C(=O)OCCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000473094034 562897803 /nfs/dbraw/zinc/89/78/03/562897803.db2.gz VCWOZQWJNIZWBF-IZLXSDGUSA-N 1 1 546.023 5.336 1 0 KKAFMO O[C@H](CCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000473105293 562898177 /nfs/dbraw/zinc/89/81/77/562898177.db2.gz RRBRCSSGXLKDPR-XMMPIXPASA-N 1 1 522.480 5.492 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1ccc(CNc3ccc4[nH]ccc4c3)cc1)C2 ZINC000473105955 562898229 /nfs/dbraw/zinc/89/82/29/562898229.db2.gz UZLRAURTWLGLEO-NUVMXGFHSA-N 1 1 593.768 6.953 1 0 KKAFMO CC[N@@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473113283 562898783 /nfs/dbraw/zinc/89/87/83/562898783.db2.gz IISBJVRBKISFCJ-UHFFFAOYSA-N 1 1 545.676 6.947 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473114387 562898949 /nfs/dbraw/zinc/89/89/49/562898949.db2.gz NJMHGTWUMGDPBL-UHFFFAOYSA-N 1 1 561.675 6.566 1 0 KKAFMO CC[N@@H+](CCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473115892 562899101 /nfs/dbraw/zinc/89/91/01/562899101.db2.gz VGIJJBUGMBCAJG-UHFFFAOYSA-N 1 1 533.621 5.873 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473134814 562900531 /nfs/dbraw/zinc/90/05/31/562900531.db2.gz IJPOQHANNXTLGS-XOSCKEEYSA-N 1 1 501.667 5.049 1 0 KKAFMO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([N@H+]1CC[C@@H](F)C1)CC2 ZINC000473145150 562901304 /nfs/dbraw/zinc/90/13/04/562901304.db2.gz KWNAEWYQYPOIBQ-QURRFSBHSA-N 1 1 555.543 5.387 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1)C1CC1 ZINC000473152126 562901741 /nfs/dbraw/zinc/90/17/41/562901741.db2.gz OFTNLVBTNHHAJV-LBZQVFOQSA-N 1 1 538.519 6.995 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+](C)CCO)CC4)c3c2)cc(Cl)c1O ZINC000473159155 562902658 /nfs/dbraw/zinc/90/26/58/562902658.db2.gz LCMYPITVJCJSRX-LBZQVFOQSA-N 1 1 538.088 5.179 1 0 KKAFMO CO[C@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159260 562902699 /nfs/dbraw/zinc/90/26/99/562902699.db2.gz YCFGCPHYPUXLGA-TZYHBYERSA-N 1 1 552.090 6.106 1 0 KKAFMO CO[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159260 562902700 /nfs/dbraw/zinc/90/27/00/562902700.db2.gz YCFGCPHYPUXLGA-TZYHBYERSA-N 1 1 552.090 6.106 1 0 KKAFMO CO[C@@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159256 562902720 /nfs/dbraw/zinc/90/27/20/562902720.db2.gz YCFGCPHYPUXLGA-SXSPYAJSSA-N 1 1 552.090 6.106 1 0 KKAFMO CO[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473159256 562902721 /nfs/dbraw/zinc/90/27/21/562902721.db2.gz YCFGCPHYPUXLGA-SXSPYAJSSA-N 1 1 552.090 6.106 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C2CCCC2)nn1 ZINC000473169896 562903139 /nfs/dbraw/zinc/90/31/39/562903139.db2.gz OQDQGSSUGQXEKZ-JHOBJCJYSA-N 1 1 603.686 7.019 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000473179703 562903420 /nfs/dbraw/zinc/90/34/20/562903420.db2.gz AUULXWXMBHAERU-STZQEDGTSA-N 1 1 526.052 5.452 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000473179703 562903421 /nfs/dbraw/zinc/90/34/21/562903421.db2.gz AUULXWXMBHAERU-STZQEDGTSA-N 1 1 526.052 5.452 1 0 KKAFMO CC[NH+](CC)CCO[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473183196 562903570 /nfs/dbraw/zinc/90/35/70/562903570.db2.gz PXWSPOPLDIXUQX-HZCBDIJESA-N 1 1 528.068 6.106 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000473183275 562903641 /nfs/dbraw/zinc/90/36/41/562903641.db2.gz VCRREDPIUQOOIB-DYLHXGEVSA-N 1 1 555.506 5.472 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000473183275 562903642 /nfs/dbraw/zinc/90/36/42/562903642.db2.gz VCRREDPIUQOOIB-DYLHXGEVSA-N 1 1 555.506 5.472 1 0 KKAFMO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473198579 562903762 /nfs/dbraw/zinc/90/37/62/562903762.db2.gz PWNHLINSFSHUOG-SNRMKQJTSA-N 1 1 541.067 5.237 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4ccc(Br)cc4)n[nH]3)ccc21 ZINC000474603375 562905235 /nfs/dbraw/zinc/90/52/35/562905235.db2.gz BXSRSTILCNULAT-MHZLTWQESA-N 1 1 521.434 6.156 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4ccc(Br)cc4)n3)ccc21 ZINC000474603375 562905236 /nfs/dbraw/zinc/90/52/36/562905236.db2.gz BXSRSTILCNULAT-MHZLTWQESA-N 1 1 521.434 6.156 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Br)cc3)c(=O)n2C)cc1F ZINC000474606094 562905361 /nfs/dbraw/zinc/90/53/61/562905361.db2.gz HIEABAWAMZKMHV-UHFFFAOYSA-N 1 1 733.639 6.004 1 0 KKAFMO CCCCCCNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474605845 562905368 /nfs/dbraw/zinc/90/53/68/562905368.db2.gz GMIFAPRMVIERMY-SSEXGKCCSA-N 1 1 572.750 5.864 1 0 KKAFMO CCCCCCNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474605845 562905369 /nfs/dbraw/zinc/90/53/69/562905369.db2.gz GMIFAPRMVIERMY-SSEXGKCCSA-N 1 1 572.750 5.864 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(Cl)cc3)c(=O)n2C)cc1F ZINC000474609770 562905700 /nfs/dbraw/zinc/90/57/00/562905700.db2.gz UVSIBVLSEPOIBQ-UHFFFAOYSA-N 1 1 689.188 5.895 1 0 KKAFMO C[C@H]([NH3+])C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692015 562906779 /nfs/dbraw/zinc/90/67/79/562906779.db2.gz FUPKDKFLTDOLIS-CHZWFCLASA-N 1 1 549.837 5.594 1 0 KKAFMO Cc1nc(CN2CC[NH+](Cc3cc4c5ccccc5n(CC(C)C)c4c(C)n3)CC2)cc2c3ccccc3n(CC(C)C)c21 ZINC000653714741 562908461 /nfs/dbraw/zinc/90/84/61/562908461.db2.gz INOVXCGFUYKTPG-UHFFFAOYSA-N 1 1 586.828 7.939 1 0 KKAFMO CC1(C)CC[C@]2(C(=O)NCCC[NH+]3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c[nH]nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000653736108 562909684 /nfs/dbraw/zinc/90/96/84/562909684.db2.gz LYQQCAMZWHIDSW-RXLVGJJOSA-N 1 1 604.924 7.064 1 0 KKAFMO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653737628 562909836 /nfs/dbraw/zinc/90/98/36/562909836.db2.gz LXVYUHJXPQZIFC-UHFFFAOYSA-N 1 1 623.732 8.393 1 0 KKAFMO CC[N@@H+](CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1 ZINC000653739163 562910041 /nfs/dbraw/zinc/91/00/41/562910041.db2.gz LSIKGIFEOURDJB-OUKQBFOZSA-N 1 1 502.655 5.672 1 0 KKAFMO CCN(CC)C(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768959 562911742 /nfs/dbraw/zinc/91/17/42/562911742.db2.gz JLMVLYYCQLMTCP-NSOVKSMOSA-N 1 1 603.881 5.295 1 0 KKAFMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000653782770 562912264 /nfs/dbraw/zinc/91/22/64/562912264.db2.gz VYSKBELZBSAHAE-UHFFFAOYSA-N 1 1 539.761 5.369 1 0 KKAFMO CN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(=O)N6CCCC6)c5)c4c3)cc2)CC1 ZINC000653794138 562912889 /nfs/dbraw/zinc/91/28/89/562912889.db2.gz XGCZXXNGRXPGMX-UHFFFAOYSA-N 1 1 564.694 5.001 1 0 KKAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 ZINC000653799686 562913366 /nfs/dbraw/zinc/91/33/66/562913366.db2.gz PMZOPKCHYGDQPO-QFIPXVFZSA-N 1 1 529.588 5.712 1 0 KKAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 ZINC000653799686 562913365 /nfs/dbraw/zinc/91/33/65/562913365.db2.gz PMZOPKCHYGDQPO-QFIPXVFZSA-N 1 1 529.588 5.712 1 0 KKAFMO C[N@@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1 ZINC000653823128 562914252 /nfs/dbraw/zinc/91/42/52/562914252.db2.gz CQTFNVLDNHGYMC-UHFFFAOYSA-N 1 1 542.676 6.585 1 0 KKAFMO O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3=[NH+]O[C@@H](c4ccccc4)C3)cs2)CC1 ZINC000653847516 562915243 /nfs/dbraw/zinc/91/52/43/562915243.db2.gz NNNDFWNUSYAEGF-OAQYLSRUSA-N 1 1 502.518 5.349 1 0 KKAFMO CC(C)(C)c1ccc(-c2cn([C@@H](CN3CC[NH+](CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888017 562917123 /nfs/dbraw/zinc/91/71/23/562917123.db2.gz KPEVFWABFLSPAM-LJAQVGFWSA-N 1 1 539.749 5.810 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)cc1F ZINC000653895423 562917344 /nfs/dbraw/zinc/91/73/44/562917344.db2.gz IKQRNFDWSQMXDL-UHFFFAOYSA-N 1 1 677.531 5.871 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070455475 565120493 /nfs/dbraw/zinc/12/04/93/565120493.db2.gz LHIFPLJVJKKRTD-VMPREFPWSA-N 1 1 608.735 6.820 1 0 biogenic,in-vitro KKAFMO COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](OCCc2cc[nH+]c(N)c2)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592926 565148890 /nfs/dbraw/zinc/14/88/90/565148890.db2.gz PEZYISLKPRVIGC-CFRVUYLFSA-N 1 1 656.776 5.824 1 0 biogenic,in-vitro KKAFMO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](CN3C)C4)c(OC)cc2CC[N@H+]1C ZINC000095485888 565173454 /nfs/dbraw/zinc/17/34/54/565173454.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 1 1 664.843 6.775 1 0 biogenic,in-vitro KKAFMO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(OC)cc5[C@@H](CN3C)C4)c(OC)cc2CC[N@@H+]1C ZINC000095485888 565173459 /nfs/dbraw/zinc/17/34/59/565173459.db2.gz QXDZEQUWGRWSAQ-BVTWBVRGSA-N 1 1 664.843 6.775 1 0 biogenic,in-vitro KKAFMO CC(=O)OC[C@H]1c2ccc3c(c2O[C@@H]1c1ccc(O)c(OCO)c1)[C@@]1(CC[C@@H](Cc2ccc(N)[nH+]c2)C1)Cc1cc(O)cc(OCO)c1-3 ZINC000085568358 291901157 /nfs/dbraw/zinc/90/11/57/291901157.db2.gz SBTPTWJZCBLFDH-XGKWJFTRSA-N 1 1 654.716 5.016 1 0 biogenic,in-vitro KKAFMO COc1c(O)ccc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC[NH2+]C[C@H](C)O)c2)c2cccc(O)c2)c1Cc1cccc2ccccc21 ZINC000085632240 291965251 /nfs/dbraw/zinc/96/52/51/291965251.db2.gz HQTFKNJDRHKLFU-FWCJGJJQSA-N 1 1 757.904 6.725 1 0 biogenic,in-vitro KKAFMO CC(C)[NH+]1CCN(c2cc3c(nc2Sc2ccc(F)cc2F)CNC(=O)N3c2c(Cl)cccc2Cl)CC1 ZINC000003928608 561687035 /nfs/dbraw/zinc/68/70/35/561687035.db2.gz SFXQPCGNFSUNGU-UHFFFAOYSA-N 1 1 564.489 6.710 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)C1CCCCC1 ZINC000003931504 561687503 /nfs/dbraw/zinc/68/75/03/561687503.db2.gz VKSITIDMXFEQJN-KYJUHHDHSA-N 1 1 535.773 5.887 1 0 KKAFMO CN1CCN(c2cc[nH+]c3ccc(NC(=O)Nc4ccc(-c5ccncc5)c(C(F)(F)F)c4)cc32)CC1 ZINC000003940532 561689200 /nfs/dbraw/zinc/68/92/00/561689200.db2.gz BEMHNUHVZNPWPV-UHFFFAOYSA-N 1 1 506.532 5.711 1 0 KKAFMO C[N@@H+](CCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000003941507 561689335 /nfs/dbraw/zinc/68/93/35/561689335.db2.gz ZNZDCIBRQPJMQD-UHFFFAOYSA-N 1 1 524.514 7.262 1 0 KKAFMO CC[N@H+]1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823030 561698766 /nfs/dbraw/zinc/69/87/66/561698766.db2.gz HKSABFMJANGSMM-UZNNEEJFSA-N 1 1 521.657 7.300 1 0 KKAFMO O=c1cc(-c2ccccc2)oc2ccc(OCCCCCC[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)cc12 ZINC000013454407 561713490 /nfs/dbraw/zinc/71/34/90/561713490.db2.gz NGOGKKBBHCVORF-UHFFFAOYSA-N 1 1 514.065 7.842 1 0 KKAFMO COc1cccc(-c2ccc3c4c2O[C@H]2c5[nH]c6ccccc6c5C[C@@]5(O)[C@@H](C3)[N@@H+](CC3CC3)CC[C@]425)c1 ZINC000006018973 561702006 /nfs/dbraw/zinc/70/20/06/561702006.db2.gz YTLGAZWZLBXUKJ-OUDZLNJNSA-N 1 1 504.630 5.543 1 0 KKAFMO COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455671 561713664 /nfs/dbraw/zinc/71/36/64/561713664.db2.gz LOXUUVJTKHHJKI-QFIPXVFZSA-N 1 1 500.658 7.186 1 0 KKAFMO Clc1ccc([C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679914 561706903 /nfs/dbraw/zinc/70/69/03/561706903.db2.gz ZEPXBJNKUZWBDJ-MHKXILBSSA-N 1 1 553.149 9.091 3 0 aggregator KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690096 561707747 /nfs/dbraw/zinc/70/77/47/561707747.db2.gz UESIYDZPBMNPLD-ALQBRSPBSA-N 1 1 516.651 8.169 3 0 KKAFMO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435674 553960177 /nfs/dbraw/zinc/96/01/77/553960177.db2.gz REMYYYICRNOILH-MGTSJQRLSA-N 1 1 507.675 5.218 2 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1cc(Br)c3ccccc3c1OC)CC2 ZINC000013588500 561721012 /nfs/dbraw/zinc/72/10/12/561721012.db2.gz XXDKXXVEKGJMFE-UHFFFAOYSA-N 1 1 527.459 5.196 1 0 KKAFMO O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013607386 561721774 /nfs/dbraw/zinc/72/17/74/561721774.db2.gz AODGMTYFAOBOJW-UHFFFAOYSA-N 1 1 513.856 5.848 1 0 KKAFMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674187 561723894 /nfs/dbraw/zinc/72/38/94/561723894.db2.gz KEZJSZDVAAWYLU-FQEVSTJZSA-N 1 1 508.403 6.114 1 0 KKAFMO C[N@@H+](CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799745 561730383 /nfs/dbraw/zinc/73/03/83/561730383.db2.gz KTZFWUUKOUWTMJ-MHZLTWQESA-N 1 1 528.715 5.301 1 0 KKAFMO CC(C)c1cc([C@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799690 561730400 /nfs/dbraw/zinc/73/04/00/561730400.db2.gz RDNYXEDBZMOHTQ-MUUNZHRXSA-N 1 1 514.688 5.343 1 0 KKAFMO CC(C)c1cc([C@@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)cc(C(C)C)c1O ZINC000013799686 561730416 /nfs/dbraw/zinc/73/04/16/561730416.db2.gz RDNYXEDBZMOHTQ-NDEPHWFRSA-N 1 1 514.688 5.343 1 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812955 561731789 /nfs/dbraw/zinc/73/17/89/561731789.db2.gz ALLKBIANVUTXDD-LMBSYKFDSA-N 1 1 511.591 7.184 3 0 KKAFMO O=S1(=O)c2cccc3cccc(c23)N1CCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000013826823 561733013 /nfs/dbraw/zinc/73/30/13/561733013.db2.gz QLRUMELLFYFLRX-UHFFFAOYSA-N 1 1 522.468 5.772 1 0 KKAFMO CC(=O)Nc1ccc(SC[C@@H](Cc2ccccc2)N2CC[N@@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013829946 561733228 /nfs/dbraw/zinc/73/32/28/561733228.db2.gz ILAUSUDKTJLFLK-MUUNZHRXSA-N 1 1 501.696 5.125 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000014115399 561736673 /nfs/dbraw/zinc/73/66/73/561736673.db2.gz SBVKGMUDJCJZJQ-GOXSRMGUSA-N 1 1 612.792 7.142 1 0 KKAFMO CC[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000014294805 561739504 /nfs/dbraw/zinc/73/95/04/561739504.db2.gz FRGKOLSKMIBPHY-GDLZYMKVSA-N 1 1 556.769 6.081 1 0 KKAFMO CC[N@@H+](C)Cc1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3C2=O)cc1 ZINC000014950425 561745541 /nfs/dbraw/zinc/74/55/41/561745541.db2.gz OKBAPMZESMJOQK-UHFFFAOYSA-N 1 1 560.580 5.936 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c3ccccc23)cc1 ZINC000014956568 561747765 /nfs/dbraw/zinc/74/77/65/561747765.db2.gz VZZXGCGHBAJFIX-PSWAGMNNSA-N 1 1 555.723 6.763 1 0 KKAFMO Cc1ccc2nc(C3CC[NH+](Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1 ZINC000014958000 561748151 /nfs/dbraw/zinc/74/81/51/561748151.db2.gz HZDSUZFWBQPKML-UHFFFAOYSA-N 1 1 526.648 6.160 1 0 KKAFMO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc[nH+]c2C)c1Cl ZINC000014963201 561748955 /nfs/dbraw/zinc/74/89/55/561748955.db2.gz BPIRVUNGRNOYQT-UHFFFAOYSA-N 1 1 550.855 6.170 1 0 KKAFMO COc1ccc(-n2nc(N(C)C(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969413 561750717 /nfs/dbraw/zinc/75/07/17/561750717.db2.gz WAGIMACQVHFHAK-MUUNZHRXSA-N 1 1 623.754 5.689 1 0 KKAFMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000015944156 561753494 /nfs/dbraw/zinc/75/34/94/561753494.db2.gz BDCQVJBDZRVSHT-XBHHGYJFSA-N 1 1 529.706 5.112 3 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545779 561756012 /nfs/dbraw/zinc/75/60/12/561756012.db2.gz KTJZESHDLXWFPF-MGONOCMRSA-N 1 1 572.746 6.473 3 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545851 561756143 /nfs/dbraw/zinc/75/61/43/561756143.db2.gz WGQCVUUUJSQMIV-RDGATRHJSA-N 1 1 581.750 6.823 3 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545824 561756199 /nfs/dbraw/zinc/75/61/99/561756199.db2.gz WDCDEPYWKIKBOG-KEKPKEOLSA-N 1 1 632.798 6.491 3 0 KKAFMO COc1ccc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000017655103 561757900 /nfs/dbraw/zinc/75/79/00/561757900.db2.gz PBFJDRPERMLIIX-IZZNHLLZSA-N 1 1 547.648 5.016 1 0 KKAFMO COc1ccc2c(c1)CC[C@@H](C[NH+]1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000022927647 561759906 /nfs/dbraw/zinc/75/99/06/561759906.db2.gz YHMABVAVFRAMNQ-VWLOTQADSA-N 1 1 520.620 5.142 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)CC1 ZINC000023357769 561761650 /nfs/dbraw/zinc/76/16/50/561761650.db2.gz JEPFUEYLCGNLKG-UHFFFAOYSA-N 1 1 599.954 6.345 1 0 KKAFMO C[NH+]1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccc4onc(N)c4c3)c(F)c2)CC1 ZINC000023358213 561761943 /nfs/dbraw/zinc/76/19/43/561761943.db2.gz KDZYVICPZRDOIO-UHFFFAOYSA-N 1 1 593.585 5.420 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000026175189 561770729 /nfs/dbraw/zinc/77/07/29/561770729.db2.gz IAPQVOLLBFCQRK-UHFFFAOYSA-N 1 1 661.709 6.551 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000026175189 561770732 /nfs/dbraw/zinc/77/07/32/561770732.db2.gz IAPQVOLLBFCQRK-UHFFFAOYSA-N 1 1 661.709 6.551 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccoc4)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000026180746 561771698 /nfs/dbraw/zinc/77/16/98/561771698.db2.gz KQOGORVRILTPPO-UHFFFAOYSA-N 1 1 651.670 6.144 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)c4ccoc4)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000026180746 561771700 /nfs/dbraw/zinc/77/17/00/561771700.db2.gz KQOGORVRILTPPO-UHFFFAOYSA-N 1 1 651.670 6.144 1 0 KKAFMO COc1ccc([C@@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189995 561773441 /nfs/dbraw/zinc/77/34/41/561773441.db2.gz GXEBXJCYTURXIM-JGCGQSQUSA-N 1 1 535.750 7.314 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000026253252 561774435 /nfs/dbraw/zinc/77/44/35/561774435.db2.gz HEPQIDBMXXAHTJ-LQJZCPKCSA-N 1 1 613.843 6.692 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026258006 561775157 /nfs/dbraw/zinc/77/51/57/561775157.db2.gz WHOCMELZNZWNHY-SANMLTNESA-N 1 1 539.720 5.434 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CCc1ccccc1 ZINC000026264657 561776085 /nfs/dbraw/zinc/77/60/85/561776085.db2.gz JIDSTTNPFKBEDP-CONSDPRKSA-N 1 1 571.762 5.437 1 0 KKAFMO COc1ccc([C@H](CCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268303 561776622 /nfs/dbraw/zinc/77/66/22/561776622.db2.gz CJJFSFFAFAEWIN-PMERELPUSA-N 1 1 507.696 6.701 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000026267833 561776659 /nfs/dbraw/zinc/77/66/59/561776659.db2.gz BRNNVTNSNUZGHW-KYJUHHDHSA-N 1 1 557.735 5.395 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000026274460 561777876 /nfs/dbraw/zinc/77/78/76/561777876.db2.gz UUUTYZGDRKVSOB-FTJBHMTQSA-N 1 1 603.785 5.237 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 ZINC000026274460 561777877 /nfs/dbraw/zinc/77/78/77/561777877.db2.gz UUUTYZGDRKVSOB-FTJBHMTQSA-N 1 1 603.785 5.237 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275568 561778137 /nfs/dbraw/zinc/77/81/37/561778137.db2.gz XKPSNGHGHWKBOE-UHFFFAOYSA-N 1 1 677.777 6.430 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275568 561778139 /nfs/dbraw/zinc/77/81/39/561778139.db2.gz XKPSNGHGHWKBOE-UHFFFAOYSA-N 1 1 677.777 6.430 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026283498 561779458 /nfs/dbraw/zinc/77/94/58/561779458.db2.gz UCBBCUZQHWJMSM-UHFFFAOYSA-N 1 1 631.708 6.133 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026283498 561779459 /nfs/dbraw/zinc/77/94/59/561779459.db2.gz UCBBCUZQHWJMSM-UHFFFAOYSA-N 1 1 631.708 6.133 1 0 KKAFMO NC(=O)CN[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 561783398 /nfs/dbraw/zinc/78/33/98/561783398.db2.gz OXQZXDGLSIMETJ-WNJJXGMVSA-N 1 1 706.555 7.149 1 0 KKAFMO CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000026388459 561785099 /nfs/dbraw/zinc/78/50/99/561785099.db2.gz OZGKCZPZPBBRDV-UHFFFAOYSA-N 1 1 650.824 5.985 1 0 KKAFMO NC(=O)CN[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 561786912 /nfs/dbraw/zinc/78/69/12/561786912.db2.gz OXQZXDGLSIMETJ-LITSAYRRSA-N 1 1 706.555 7.149 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026729412 561816523 /nfs/dbraw/zinc/81/65/23/561816523.db2.gz BXJRBGNXZAKXLL-JGVSFPECSA-N 1 1 517.629 5.138 1 0 KKAFMO OC1(CCCc2ccc(-c3nn[nH]n3)cc2)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819993 /nfs/dbraw/zinc/81/99/93/561819993.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 1 1 542.772 5.312 1 0 KKAFMO OC1(CCCc2ccc(-c3nn[nH]n3)cc2)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 561819995 /nfs/dbraw/zinc/81/99/95/561819995.db2.gz MYTRYQKUDUGKTA-IOWSJCHKSA-N 1 1 542.772 5.312 1 0 KKAFMO O=C([O-])Cc1cccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000026823124 561821463 /nfs/dbraw/zinc/82/14/63/561821463.db2.gz IMUDDPQNMKTPCR-AJQTZOPKSA-N 1 1 532.769 5.759 1 0 KKAFMO O=C([O-])CCc1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026823129 561821510 /nfs/dbraw/zinc/82/15/10/561821510.db2.gz YYLIUOFKQNBOEB-JHOUSYSJSA-N 1 1 546.796 6.149 1 0 KKAFMO Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)[N@@H+]4Cc4cc(Cl)ccc43)cc2)cc1 ZINC000026828796 561822508 /nfs/dbraw/zinc/82/25/08/561822508.db2.gz AKOQGOCLYOOSEU-UOTLIPSBSA-N 1 1 576.140 7.971 1 0 KKAFMO Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)[N@H+]4Cc4cc(Cl)ccc43)cc2)cc1 ZINC000026828796 561822509 /nfs/dbraw/zinc/82/25/09/561822509.db2.gz AKOQGOCLYOOSEU-UOTLIPSBSA-N 1 1 576.140 7.971 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccccc1 ZINC000026848208 561826915 /nfs/dbraw/zinc/82/69/15/561826915.db2.gz IORNNFZUEYOWBO-SSEXGKCCSA-N 1 1 646.676 5.933 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848895 561827023 /nfs/dbraw/zinc/82/70/23/561827023.db2.gz RSRKUMMFMMRVHW-LJAQVGFWSA-N 1 1 601.525 5.552 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942333 561828134 /nfs/dbraw/zinc/82/81/34/561828134.db2.gz UCQRXBZYKFZLPN-GDLZYMKVSA-N 1 1 634.435 6.580 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026960635 561829644 /nfs/dbraw/zinc/82/96/44/561829644.db2.gz IKTCQXBLEMUSIF-GBXCKJPGSA-N 1 1 545.558 5.408 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)O2 ZINC000026964848 561830002 /nfs/dbraw/zinc/83/00/02/561830002.db2.gz GQGOLCRNYNRGTM-DKOZSQSISA-N 1 1 612.792 7.142 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026971463 561830434 /nfs/dbraw/zinc/83/04/34/561830434.db2.gz IKTCQXBLEMUSIF-YKSBVNFPSA-N 1 1 545.558 5.408 1 0 KKAFMO CCC[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987894 561832123 /nfs/dbraw/zinc/83/21/23/561832123.db2.gz SHQQFOCNCRFSKP-NDEPHWFRSA-N 1 1 665.839 5.918 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN(Cc3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026992898 561832815 /nfs/dbraw/zinc/83/28/15/561832815.db2.gz LEFAKKLOKFYYJX-QFIPXVFZSA-N 1 1 545.509 5.109 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026996469 561833373 /nfs/dbraw/zinc/83/33/73/561833373.db2.gz GLPXKCDPFDUVQT-GOTSBHOMSA-N 1 1 559.536 5.670 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083336 561835567 /nfs/dbraw/zinc/83/55/67/561835567.db2.gz UUQGJUFZXHHWRQ-OIFRRMEBSA-N 1 1 543.777 6.272 1 0 KKAFMO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCc4ccccc4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027083578 561835575 /nfs/dbraw/zinc/83/55/75/561835575.db2.gz DHBKAQUJRFTZOM-YBLJPNGSSA-N 1 1 504.630 5.446 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027092946 561837618 /nfs/dbraw/zinc/83/76/18/561837618.db2.gz SQKKJMJEPUPLOZ-UHFFFAOYSA-N 1 1 571.624 5.912 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027092946 561837620 /nfs/dbraw/zinc/83/76/20/561837620.db2.gz SQKKJMJEPUPLOZ-UHFFFAOYSA-N 1 1 571.624 5.912 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)C1C(=O)OC ZINC000027209314 561846662 /nfs/dbraw/zinc/84/66/62/561846662.db2.gz BCRJYBZKKYLRPH-OOVLPZSHSA-N 1 1 644.600 6.138 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027319483 561852262 /nfs/dbraw/zinc/85/22/62/561852262.db2.gz SONSAZMDMSBBOG-UHFFFAOYSA-N 1 1 553.634 5.773 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027319483 561852264 /nfs/dbraw/zinc/85/22/64/561852264.db2.gz SONSAZMDMSBBOG-UHFFFAOYSA-N 1 1 553.634 5.773 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027326948 561853811 /nfs/dbraw/zinc/85/38/11/561853811.db2.gz ZSYJZAJZWKGBSG-UHFFFAOYSA-N 1 1 622.741 6.891 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027326948 561853812 /nfs/dbraw/zinc/85/38/12/561853812.db2.gz ZSYJZAJZWKGBSG-UHFFFAOYSA-N 1 1 622.741 6.891 1 0 KKAFMO CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027330658 561854915 /nfs/dbraw/zinc/85/49/15/561854915.db2.gz OJWVDKCOGMRFNT-UHFFFAOYSA-N 1 1 678.853 7.074 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433178 561859768 /nfs/dbraw/zinc/85/97/68/561859768.db2.gz NVDGAAUKTHPFSV-GDLZYMKVSA-N 1 1 558.785 5.979 1 0 KKAFMO O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)CC1 ZINC000027519786 561863305 /nfs/dbraw/zinc/86/33/05/561863305.db2.gz BMCNIFMHVQTIKB-KRWDZBQOSA-N 1 1 598.387 5.827 1 0 KKAFMO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626691 561873183 /nfs/dbraw/zinc/87/31/83/561873183.db2.gz VWSDZLWAIZCEJG-VLZNPVHKSA-N 1 1 534.744 7.182 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)/C(=C/c1cccnc1)c1ccccc1 ZINC000027657107 561877934 /nfs/dbraw/zinc/87/79/34/561877934.db2.gz FYMPKXWLJVLLBH-MUGXBBEHSA-N 1 1 530.716 5.926 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(N(C)C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658004 561878300 /nfs/dbraw/zinc/87/83/00/561878300.db2.gz FRNBWSMMIQVICC-UHFFFAOYSA-N 1 1 629.761 6.423 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2OC)C1 ZINC000027708650 561879346 /nfs/dbraw/zinc/87/93/46/561879346.db2.gz VRMFBPOHKMSMRD-OCZFFWILSA-N 1 1 718.383 8.145 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000027708650 561879347 /nfs/dbraw/zinc/87/93/47/561879347.db2.gz VRMFBPOHKMSMRD-OCZFFWILSA-N 1 1 718.383 8.145 1 0 KKAFMO O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc(Br)c4Br)CC3)cc2N1 ZINC000027725502 561880821 /nfs/dbraw/zinc/88/08/21/561880821.db2.gz IZKJRBCQPDYKKJ-UHFFFAOYSA-N 1 1 537.296 5.078 1 0 KKAFMO CCCCCCC(=O)O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027732351 561881462 /nfs/dbraw/zinc/88/14/62/561881462.db2.gz LNUBNNMYQZNNMH-XIFFEERXSA-N 1 1 562.676 8.441 1 0 KKAFMO CCCCCCC(=O)O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027732351 561881465 /nfs/dbraw/zinc/88/14/65/561881465.db2.gz LNUBNNMYQZNNMH-XIFFEERXSA-N 1 1 562.676 8.441 1 0 KKAFMO Cc1ccc(C(=O)N(C)Cc2ccccn2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027847609 561885671 /nfs/dbraw/zinc/88/56/71/561885671.db2.gz MYUPPLLYMBAZIG-BLGMLHPASA-N 1 1 667.895 5.160 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCc5c6ccccc6[nH]c5[C@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027862957 561887295 /nfs/dbraw/zinc/88/72/95/561887295.db2.gz ARCYCGRZVAVRJW-UUWRZZSWSA-N 1 1 586.692 5.538 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@H+](CCC2)CC4 ZINC000027892415 561889941 /nfs/dbraw/zinc/88/99/41/561889941.db2.gz VKHOBHMHSBCEHU-PXJZQJOASA-N 1 1 509.647 6.067 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@@H+](CCC2)CC4 ZINC000027892415 561889943 /nfs/dbraw/zinc/88/99/43/561889943.db2.gz VKHOBHMHSBCEHU-PXJZQJOASA-N 1 1 509.647 6.067 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C[C@H]1C ZINC000027891901 561889971 /nfs/dbraw/zinc/88/99/71/561889971.db2.gz KZZDDXGFZSMMEJ-IZLXSDGUSA-N 1 1 667.828 6.412 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C[C@H]1C ZINC000027891901 561889973 /nfs/dbraw/zinc/88/99/73/561889973.db2.gz KZZDDXGFZSMMEJ-IZLXSDGUSA-N 1 1 667.828 6.412 1 0 KKAFMO CCn1nc(Cc2ccc(Cl)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017205 561897589 /nfs/dbraw/zinc/89/75/89/561897589.db2.gz RTBAIVWNBSQJJO-HMQVCXRFSA-N 1 1 621.241 7.215 1 0 KKAFMO O=C(N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028002413 561894978 /nfs/dbraw/zinc/89/49/78/561894978.db2.gz LZKLRYNDKQXBDX-XDFJSJKPSA-N 1 1 554.735 6.008 1 0 KKAFMO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008043 561895930 /nfs/dbraw/zinc/89/59/30/561895930.db2.gz DMUHIPIQOMSLKE-TUTZNEALSA-N 1 1 576.757 5.646 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028021739 561898551 /nfs/dbraw/zinc/89/85/51/561898551.db2.gz IPZYEKFVICMSCL-JGCGQSQUSA-N 1 1 564.748 6.593 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022588 561898867 /nfs/dbraw/zinc/89/88/67/561898867.db2.gz GYDKIIUOVCRNTP-UUWRZZSWSA-N 1 1 608.801 6.991 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028023136 561898968 /nfs/dbraw/zinc/89/89/68/561898968.db2.gz PGAOHGRDXNRKPM-UHFFFAOYSA-N 1 1 548.705 5.610 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000028086595 561899207 /nfs/dbraw/zinc/89/92/07/561899207.db2.gz CAQXAJWFVJDJDE-ZEQKJWHPSA-N 1 1 534.595 5.387 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087974 561899404 /nfs/dbraw/zinc/89/94/04/561899404.db2.gz ICFBKVPIXDVRSY-VZQWUQQYSA-N 1 1 630.849 6.959 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028092094 561900134 /nfs/dbraw/zinc/90/01/34/561900134.db2.gz AYQPUUZHDGKDRB-MQMFKJKRSA-N 1 1 576.757 5.733 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099422 561901409 /nfs/dbraw/zinc/90/14/09/561901409.db2.gz FAZPCIDHXLZGET-KLTPPHAJSA-N 1 1 628.755 7.046 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CCCCC1 ZINC000028120158 561904421 /nfs/dbraw/zinc/90/44/21/561904421.db2.gz KCVISAPNHWOHSP-UHFFFAOYSA-N 1 1 514.872 8.658 1 0 KKAFMO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128385 561905249 /nfs/dbraw/zinc/90/52/49/561905249.db2.gz JTXBXFTVOCSXTB-FIRIVFDPSA-N 1 1 574.169 6.304 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135086 561906466 /nfs/dbraw/zinc/90/64/66/561906466.db2.gz AXAAKILJQSGHDI-CJFMBICVSA-N 1 1 513.469 5.121 1 0 KKAFMO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136306 561906555 /nfs/dbraw/zinc/90/65/55/561906555.db2.gz QWGSMTMVLWLWGB-RPWUZVMVSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136306 561906557 /nfs/dbraw/zinc/90/65/57/561906557.db2.gz QWGSMTMVLWLWGB-RPWUZVMVSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136306 561906559 /nfs/dbraw/zinc/90/65/59/561906559.db2.gz QWGSMTMVLWLWGB-RPWUZVMVSA-N 1 1 574.692 5.337 1 0 KKAFMO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238080 561910136 /nfs/dbraw/zinc/91/01/36/561910136.db2.gz NVBGERHFKDMLCS-UHFFFAOYSA-N 1 1 680.777 7.197 1 0 KKAFMO Cc1cc(C(=O)Nc2ccc(-n3ccnc3C[NH+](C)C)cc2F)n(-c2ccc3cc(Cl)ccc3c2)n1 ZINC000028239941 561910412 /nfs/dbraw/zinc/91/04/12/561910412.db2.gz LLDFKUNAZJSYRJ-UHFFFAOYSA-N 1 1 502.981 5.626 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccnc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028331284 561912823 /nfs/dbraw/zinc/91/28/23/561912823.db2.gz HHQHIMRAAROGLI-NFQMXDRXSA-N 1 1 512.481 5.726 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2s1 ZINC000028346346 561914855 /nfs/dbraw/zinc/91/48/55/561914855.db2.gz PKBFRDZADXJQRC-UHFFFAOYSA-N 1 1 588.342 6.145 1 0 KKAFMO C[NH+]1CCN(CCC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3O)cc2)CC1 ZINC000028382463 561920359 /nfs/dbraw/zinc/92/03/59/561920359.db2.gz LIERLSCNSFKFOL-UHFFFAOYSA-N 1 1 617.093 6.300 1 0 KKAFMO COC(=O)C[C@@H]1c2ccccc2NC(=[NH+]CCCCCNC(=O)OC(C)(C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028364794 561917301 /nfs/dbraw/zinc/91/73/01/561917301.db2.gz PDYGWPOBXZQADF-GDLZYMKVSA-N 1 1 556.707 6.750 1 0 KKAFMO CC(C)(C)c1cc(NC[C@H](O)C[NH+]2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366389 561917719 /nfs/dbraw/zinc/91/77/19/561917719.db2.gz MJMXIIYEHCGCCI-HKBQPEDESA-N 1 1 607.830 7.268 1 0 KKAFMO COc1cc2c(cc1OCCCCOc1ccc(-c3nc4ccc(N5CC[NH+](C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028385998 561921017 /nfs/dbraw/zinc/92/10/17/561921017.db2.gz RBBHZQKRPMRMMP-SANMLTNESA-N 1 1 608.743 5.549 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456526 561923987 /nfs/dbraw/zinc/92/39/87/561923987.db2.gz DRDQYIOQYQLAEY-KXQOOQHDSA-N 1 1 685.825 6.099 1 0 KKAFMO CC1([N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000028470613 561926874 /nfs/dbraw/zinc/92/68/74/561926874.db2.gz UXBPEIIOVGWXKR-QFIPXVFZSA-N 1 1 525.524 6.038 1 0 KKAFMO CC1([N@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000028470618 561926892 /nfs/dbraw/zinc/92/68/92/561926892.db2.gz UXBPEIIOVGWXKR-JOCHJYFZSA-N 1 1 525.524 6.038 1 0 KKAFMO O=S(=O)(c1ccc(Br)s1)n1cc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028526553 561932178 /nfs/dbraw/zinc/93/21/78/561932178.db2.gz ZHYYDISGIDQJTN-GOSISDBHSA-N 1 1 501.471 5.692 1 0 KKAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CCC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028570489 561938881 /nfs/dbraw/zinc/93/88/81/561938881.db2.gz KPAXZSMXFNRRAR-ROJLCIKYSA-N 1 1 647.260 5.646 1 0 KKAFMO CC1(C)CCN(CC2(C3CCCCC3)CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)S1(=O)=O ZINC000028570728 561939056 /nfs/dbraw/zinc/93/90/56/561939056.db2.gz UHMCIGUGJPINOI-ROJLCIKYSA-N 1 1 669.332 5.085 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000028604075 561940559 /nfs/dbraw/zinc/94/05/59/561940559.db2.gz SXZZGWVRGDHTET-XVNBXDOJSA-N 1 1 530.283 5.669 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CCc4ccccc4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000028637565 561941740 /nfs/dbraw/zinc/94/17/40/561941740.db2.gz UTELNNIXGGIXPC-XZLGBSMGSA-N 1 1 522.689 5.014 1 0 KKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000028644868 561944436 /nfs/dbraw/zinc/94/44/36/561944436.db2.gz WOFRNMWURPZWBM-ZVCDXRBXSA-N 1 1 611.808 6.652 1 0 KKAFMO Fc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(C3CC3)CC2)cc1 ZINC000028646165 561944732 /nfs/dbraw/zinc/94/47/32/561944732.db2.gz MDCVCAIQJRDIKA-XIFFEERXSA-N 1 1 514.733 5.441 1 0 KKAFMO Fc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)N2CCN(C3CC3)CC2)cc1 ZINC000028646162 561944790 /nfs/dbraw/zinc/94/47/90/561944790.db2.gz MDCVCAIQJRDIKA-MGBGTMOVSA-N 1 1 514.733 5.441 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702910 561947478 /nfs/dbraw/zinc/94/74/78/561947478.db2.gz AAMCCXZHVCUGJS-WQEODHJFSA-N 1 1 727.775 7.854 1 0 KKAFMO CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704096 561948244 /nfs/dbraw/zinc/94/82/44/561948244.db2.gz CBXVNXOAKIFVRY-DAORKYKSSA-N 1 1 546.674 6.669 1 0 KKAFMO C[NH+]1CCN(CCCCOc2ccc3c(c2)NC(=O)Cc2c(-c4ccccc4)cc(-c4cccc(Cl)c4)nc2-3)CC1 ZINC000028704153 561948416 /nfs/dbraw/zinc/94/84/16/561948416.db2.gz AGIBVBWPSRVVJL-UHFFFAOYSA-N 1 1 567.133 6.637 1 0 KKAFMO CC(C)[N@H+]1CCC[C@H](Cn2c(=O)c3cc(Oc4ccc(F)cc4)ccc3nc2-c2ccc(OCCO)cc2F)C1 ZINC000028712172 561952808 /nfs/dbraw/zinc/95/28/08/561952808.db2.gz RAEJKTOPJXEBES-NRFANRHFSA-N 1 1 549.618 5.626 1 0 KKAFMO CC(=O)Nc1ccccc1Cn1c2ccccc2c2c1[C@@H]1Oc3c4c(ccc3O)C[C@H]3[N@@H+](CC5CC5)CC[C@]41[C@@]3(O)C2 ZINC000028763579 561958768 /nfs/dbraw/zinc/95/87/68/561958768.db2.gz MAWFZKLWUCKKMS-OGICNVKRSA-N 1 1 561.682 5.053 1 0 KKAFMO C[C@@H]1C[N@H+](C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816493 561964229 /nfs/dbraw/zinc/96/42/29/561964229.db2.gz FMMQURLBVRREQY-LFOKJVLGSA-N 1 1 574.187 6.100 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CC(=O)N4CCC4)ccn32)n1)c1ccccc1 ZINC000028822159 561966753 /nfs/dbraw/zinc/96/67/53/561966753.db2.gz RPUUXZTVZUWVFM-QFIPXVFZSA-N 1 1 549.654 5.435 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)CC(=O)N4CCC4)ccn32)n1)c1ccccc1 ZINC000028822159 561966755 /nfs/dbraw/zinc/96/67/55/561966755.db2.gz RPUUXZTVZUWVFM-QFIPXVFZSA-N 1 1 549.654 5.435 1 0 KKAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCC[N@H+]1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864204 561972676 /nfs/dbraw/zinc/97/26/76/561972676.db2.gz OVDCJBUZBMVLSU-HHHXNRCGSA-N 1 1 620.144 5.040 1 0 KKAFMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869731 561973831 /nfs/dbraw/zinc/97/38/31/561973831.db2.gz UPEDKGWAXYKNLY-MUUNZHRXSA-N 1 1 502.058 5.514 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873114 561974825 /nfs/dbraw/zinc/97/48/25/561974825.db2.gz MYJTVJZIZDJVKI-UHFFFAOYSA-N 1 1 664.891 6.281 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825205 561970486 /nfs/dbraw/zinc/97/04/86/561970486.db2.gz YCMNXNTUMHDKAF-RRPNLBNLSA-N 1 1 574.791 5.052 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccc2F)n1C ZINC000028897726 561979354 /nfs/dbraw/zinc/97/93/54/561979354.db2.gz CGTBCWUDBIIJEU-UHFFFAOYSA-N 1 1 597.081 5.905 1 0 KKAFMO COc1ccc(-n2c(=O)c(C[N@@H+](CCc3ccc(Cl)cc3)C3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)n2C)cc1 ZINC000028897772 561979418 /nfs/dbraw/zinc/97/94/18/561979418.db2.gz JZUNRVSSTGSVKM-UHFFFAOYSA-N 1 1 609.117 5.774 1 0 KKAFMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000028953862 561982645 /nfs/dbraw/zinc/98/26/45/561982645.db2.gz VXQJDXAWIYEKSX-QHCPKHFHSA-N 1 1 637.673 6.076 1 0 KKAFMO O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[N@H+](C[C@@]34C[C@]35CC[C@H](CCCN3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985709 /nfs/dbraw/zinc/98/57/09/561985709.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 1 1 564.774 6.416 1 0 in-vivo KKAFMO O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@H]3CC[N@@H+](C[C@@]34C[C@]35CC[C@H](CCCN3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970293 561985711 /nfs/dbraw/zinc/98/57/11/561985711.db2.gz CLKZPQNKNPCQGL-WXLHLMAJSA-N 1 1 564.774 6.416 1 0 in-vivo KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048581 561993560 /nfs/dbraw/zinc/99/35/60/561993560.db2.gz HLEVZRDVZBAOQY-JDXGNMNLSA-N 1 1 559.497 7.014 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@@H](O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000029126098 561998407 /nfs/dbraw/zinc/99/84/07/561998407.db2.gz DLOXHZBYVRDFJU-PMERELPUSA-N 1 1 542.680 5.015 1 0 KKAFMO Cc1nc2cc3c(cc2s1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126804 561998915 /nfs/dbraw/zinc/99/89/15/561998915.db2.gz MXYJVPGKILUPBU-UHFFFAOYSA-N 1 1 514.724 5.840 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(F)(F)C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029126855 561999085 /nfs/dbraw/zinc/99/90/85/561999085.db2.gz HRUTWQCXFHLYSD-UHFFFAOYSA-N 1 1 602.633 6.717 1 0 KKAFMO CCc1nc2ccc3c(c2s1)CC[N@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127440 561999803 /nfs/dbraw/zinc/99/98/03/561999803.db2.gz ZLAONGKKHFSBFL-UHFFFAOYSA-N 1 1 528.751 6.094 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029127365 561999828 /nfs/dbraw/zinc/99/98/28/561999828.db2.gz VTSMNPQRBXHIOD-UHFFFAOYSA-N 1 1 645.549 7.234 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029127365 561999830 /nfs/dbraw/zinc/99/98/30/561999830.db2.gz VTSMNPQRBXHIOD-UHFFFAOYSA-N 1 1 645.549 7.234 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4nc5ccc(Cl)cn5c4CC3)n2C)n1 ZINC000029127382 561999877 /nfs/dbraw/zinc/99/98/77/561999877.db2.gz YNRYXTYLZKMJRP-UHFFFAOYSA-N 1 1 518.090 5.223 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@]3(CCN(Cc4cc(F)cc(C(F)(F)F)c4)C3=O)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128135 562000583 /nfs/dbraw/zinc/00/05/83/562000583.db2.gz GZGXEOPUVQVMJO-YSABAHSFSA-N 1 1 512.591 6.422 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131493 562003057 /nfs/dbraw/zinc/00/30/57/562003057.db2.gz OCCKNKZEIGZTKX-XNTDXEJSSA-N 1 1 594.658 6.969 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)ccc3oc2=O)cc1 ZINC000029131584 562003234 /nfs/dbraw/zinc/00/32/34/562003234.db2.gz KFRZFMDOBBBWCR-GZTJUZNOSA-N 1 1 627.568 7.997 1 0 KKAFMO Fc1ccc(C(OCCC2CC[NH+](Cc3ccc(I)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000029234481 562009532 /nfs/dbraw/zinc/00/95/32/562009532.db2.gz NDGDCGDWGLUYKA-UHFFFAOYSA-N 1 1 547.427 6.978 1 0 KKAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000029342614 562015631 /nfs/dbraw/zinc/01/56/31/562015631.db2.gz FURDJWVBJDISJQ-AVGMXXAGSA-N 1 1 686.942 5.115 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346766 562016333 /nfs/dbraw/zinc/01/63/33/562016333.db2.gz VBJNBIZNIBCBGI-BLUCGVCNSA-N 1 1 695.949 5.797 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2[nH+]1 ZINC000029393320 562017941 /nfs/dbraw/zinc/01/79/41/562017941.db2.gz QOTPXOWQGGUTPL-SFQUDFHCSA-N 1 1 648.591 5.989 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C/C=C/c1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000029409434 562021339 /nfs/dbraw/zinc/02/13/39/562021339.db2.gz JRADSVKTKARKBE-PLZZJPMFSA-N 1 1 683.890 5.242 1 0 KKAFMO CCCCCC[N@@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]21)OCO3 ZINC000029411467 562021782 /nfs/dbraw/zinc/02/17/82/562021782.db2.gz WRUVHBAJFNMPQH-PFFNZIMVSA-N 1 1 525.642 5.059 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)CC1CCCCC1 ZINC000029485796 562028223 /nfs/dbraw/zinc/02/82/23/562028223.db2.gz TUMDEIKQICSUFW-YDAXCOIMSA-N 1 1 652.924 6.564 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029549755 562030735 /nfs/dbraw/zinc/03/07/35/562030735.db2.gz BBSPBBGTHVFTAX-SSEXGKCCSA-N 1 1 566.720 5.692 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4c(F)c(F)c(F)c(F)c4F)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000029551920 562031215 /nfs/dbraw/zinc/03/12/15/562031215.db2.gz JEGXPGGCWMRZSY-YNLKZZDMSA-N 1 1 594.580 5.790 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029556039 562032076 /nfs/dbraw/zinc/03/20/76/562032076.db2.gz URROWHQGEAJOJS-BHLFKXHTSA-N 1 1 612.792 7.313 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029556035 562032089 /nfs/dbraw/zinc/03/20/89/562032089.db2.gz URROWHQGEAJOJS-NIZKYUCHSA-N 1 1 612.792 7.313 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2CN(C)c3ccccc3S2)c1 ZINC000029559542 562032846 /nfs/dbraw/zinc/03/28/46/562032846.db2.gz YRKXDSQFNDBXPZ-GDLZYMKVSA-N 1 1 522.667 5.487 1 0 KKAFMO COc1cc(Nc2ncnc3ccc(-c4ccc(C[NH2+]CCS(C)(=O)=O)o4)cc32)ccc1OCc1cccc(F)c1 ZINC000034800122 562040854 /nfs/dbraw/zinc/04/08/54/562040854.db2.gz CJGPKVRBUPRPTR-UHFFFAOYSA-N 1 1 576.650 5.494 1 0 KKAFMO O=C1c2ccccc2S[C@@H](c2ccc(Cl)cc2)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091153 562044714 /nfs/dbraw/zinc/04/47/14/562044714.db2.gz OHHAMMOVSYLWBB-MHZLTWQESA-N 1 1 508.474 7.681 1 0 KKAFMO COc1ccc(CCC(=O)NN2c3ccc(Cl)cc3N=C(N3CC[NH+](C)CC3)c3ccccc32)cc1Cl ZINC000036089422 562046907 /nfs/dbraw/zinc/04/69/07/562046907.db2.gz RGHKLXUPKREMAG-UHFFFAOYSA-N 1 1 538.479 5.443 1 0 KKAFMO CC(C)(C(=O)[O-])[N@H+]1CC[C@](C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184914 562050636 /nfs/dbraw/zinc/05/06/36/562050636.db2.gz QIDWKMNIWOOQON-MGBGTMOVSA-N 1 1 576.137 5.720 1 0 KKAFMO CC(C)(C(=O)[O-])[N@H+]1CC[C@@](C(=O)NC2CC[NH+](Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)C1 ZINC000036184915 562050641 /nfs/dbraw/zinc/05/06/41/562050641.db2.gz QIDWKMNIWOOQON-XIFFEERXSA-N 1 1 576.137 5.720 1 0 KKAFMO c1ccc(COc2ccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)cc1 ZINC000036176860 562049355 /nfs/dbraw/zinc/04/93/55/562049355.db2.gz AQYYPSFZMCKSEL-UHFFFAOYSA-N 1 1 506.654 6.140 1 0 KKAFMO c1ccc(COc2cccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c32)cc1 ZINC000036176907 562049397 /nfs/dbraw/zinc/04/93/97/562049397.db2.gz WDNZQFHFETZMGC-UHFFFAOYSA-N 1 1 506.654 6.140 1 0 KKAFMO COc1cc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2cc1OCc1ccccc1 ZINC000036241929 562052113 /nfs/dbraw/zinc/05/21/13/562052113.db2.gz NDNBEXWXHBXBLZ-UHFFFAOYSA-N 1 1 536.680 6.149 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322384 562055194 /nfs/dbraw/zinc/05/51/94/562055194.db2.gz VDGIWFABCWUAFZ-RPWUZVMVSA-N 1 1 551.518 6.632 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)CC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331644 562056787 /nfs/dbraw/zinc/05/67/87/562056787.db2.gz BXJKIXKCEJENTF-UHFFFAOYSA-N 1 1 593.749 6.936 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)CC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331644 562056789 /nfs/dbraw/zinc/05/67/89/562056789.db2.gz BXJKIXKCEJENTF-UHFFFAOYSA-N 1 1 593.749 6.936 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000036338406 562057001 /nfs/dbraw/zinc/05/70/01/562057001.db2.gz CAQXAJWFVJDJDE-BVAGGSTKSA-N 1 1 534.595 5.387 1 0 KKAFMO CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338703 562057145 /nfs/dbraw/zinc/05/71/45/562057145.db2.gz ORYJSCZSOMBCKS-VMPREFPWSA-N 1 1 530.713 5.002 1 0 KKAFMO CC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338703 562057146 /nfs/dbraw/zinc/05/71/46/562057146.db2.gz ORYJSCZSOMBCKS-VMPREFPWSA-N 1 1 530.713 5.002 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C(C)(C)C)c4)C[C@H]23)CC1 ZINC000036351560 562058634 /nfs/dbraw/zinc/05/86/34/562058634.db2.gz WAZISUGLKFROPV-LXPNYDBHSA-N 1 1 584.180 6.055 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5onc(N)c5c4)C[C@H]23)CC1 ZINC000036351585 562058687 /nfs/dbraw/zinc/05/86/87/562058687.db2.gz ZLLBDCVHUSTQSG-MBEZDYHHSA-N 1 1 574.623 5.160 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1[N@H+]1CCC[C@H](CNC(=O)c2ccc3ncccc3c2)C1 ZINC000036352000 562059492 /nfs/dbraw/zinc/05/94/92/562059492.db2.gz RPJZHDKOKSGFON-SAFLGMMZSA-N 1 1 525.524 5.894 1 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000038141607 562063323 /nfs/dbraw/zinc/06/33/23/562063323.db2.gz WDCDEPYWKIKBOG-MXSCXNJPSA-N 1 1 632.798 6.491 3 0 KKAFMO COC[C@H]1CCC[N@H+]1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1C ZINC000038149680 562066039 /nfs/dbraw/zinc/06/60/39/562066039.db2.gz JNHZMEBIKUJAIN-JOCHJYFZSA-N 1 1 519.070 5.870 1 0 KKAFMO CC(C)CC[N@@H+](C)[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000038150639 562066442 /nfs/dbraw/zinc/06/64/42/562066442.db2.gz VULRFDUFJCQCEM-WUFINQPMSA-N 1 1 537.745 5.240 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157516 562069305 /nfs/dbraw/zinc/06/93/05/562069305.db2.gz OIQRRPTWMZBNMA-RBISFHTESA-N 1 1 528.759 5.323 1 0 KKAFMO NC(=O)c1cccc(-c2ccc(C(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157852 562069624 /nfs/dbraw/zinc/06/96/24/562069624.db2.gz AGMAFERLZIQTJG-UHFFFAOYSA-N 1 1 548.584 6.794 1 0 KKAFMO O=C(N[C@@H](CC[N@H+]1C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2C1)c1ccccc1)C1CCCC1 ZINC000038276312 562070794 /nfs/dbraw/zinc/07/07/94/562070794.db2.gz RYPQMOYFQGEWGP-FBLLAGFSSA-N 1 1 514.497 5.435 1 0 KKAFMO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000040368864 562073237 /nfs/dbraw/zinc/07/32/37/562073237.db2.gz BEOPGQZLRRYYIV-WYYYCIQASA-N 1 1 501.711 5.925 1 0 KKAFMO COCCNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875782 562082162 /nfs/dbraw/zinc/08/21/62/562082162.db2.gz RYSIREMKKVFZGH-ONCRSHKTSA-N 1 1 523.504 6.410 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CCC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640910 562078704 /nfs/dbraw/zinc/07/87/04/562078704.db2.gz JKVMLYRCSNRRJI-QHCPKHFHSA-N 1 1 523.620 5.983 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](CCc1ccc(F)c(F)c1)[N@@H+]([C@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000040847231 562080440 /nfs/dbraw/zinc/08/04/40/562080440.db2.gz MGTLLLVBSOYCAX-OFSOJUDTSA-N 1 1 520.620 5.782 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](CCc1ccc(F)c(F)c1)[N@H+]([C@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000040847231 562080442 /nfs/dbraw/zinc/08/04/42/562080442.db2.gz MGTLLLVBSOYCAX-OFSOJUDTSA-N 1 1 520.620 5.782 1 0 KKAFMO CCCCCCOc1ccc(CCC[NH+]2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000040860454 562080675 /nfs/dbraw/zinc/08/06/75/562080675.db2.gz JGKSPPGFYBGXLZ-UHFFFAOYSA-N 1 1 525.781 7.784 1 0 KKAFMO CCC[N@H+]1CCC[C@@H](c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040917737 562084151 /nfs/dbraw/zinc/08/41/51/562084151.db2.gz LZOWLPPKVLNYEG-GOSISDBHSA-N 1 1 517.609 5.281 1 0 KKAFMO CC(C)C(=O)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040979186 562087338 /nfs/dbraw/zinc/08/73/38/562087338.db2.gz HNQYTVPEOUBBMB-HKBQPEDESA-N 1 1 535.679 6.441 1 0 KKAFMO O=S(=O)(CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)c1ccccc1 ZINC000042201859 562087512 /nfs/dbraw/zinc/08/75/12/562087512.db2.gz MTHDVQYDQJZAFB-UHFFFAOYSA-N 1 1 643.140 7.568 1 0 KKAFMO OC1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000042804464 562088877 /nfs/dbraw/zinc/08/88/77/562088877.db2.gz DVAZWOXQVNJJPK-UHFFFAOYSA-N 1 1 623.765 5.880 1 0 KKAFMO OC1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000042804464 562088878 /nfs/dbraw/zinc/08/88/78/562088878.db2.gz DVAZWOXQVNJJPK-UHFFFAOYSA-N 1 1 623.765 5.880 1 0 KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532485 560072570 /nfs/dbraw/zinc/07/25/70/560072570.db2.gz DNKXVIYIYOJKAX-UGUVHVGASA-N 1 1 565.751 5.413 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532484 560072607 /nfs/dbraw/zinc/07/26/07/560072607.db2.gz JCWGXPRLHTYUPI-BRSAXREFSA-N 1 1 551.768 6.750 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532527 560072772 /nfs/dbraw/zinc/07/27/72/560072772.db2.gz BRXUIIUGTNKPTP-RPRXFXJRSA-N 1 1 511.703 5.970 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)[N@H+]3[C@@H]4[C@@H](O)[C@@H]1C=CC[C@H](C2CCCC2)C1 ZINC000085532400 560072815 /nfs/dbraw/zinc/07/28/15/560072815.db2.gz ORWSLTCMPSGEKV-FXQMJOQPSA-N 1 1 535.725 5.990 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000085532293 560072848 /nfs/dbraw/zinc/07/28/48/560072848.db2.gz VKLPRNPIIVTDSV-MXQFIXMASA-N 1 1 551.724 5.107 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@H]4[C@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCCC3)[C@H]2[C@@H]1C ZINC000085532414 560072889 /nfs/dbraw/zinc/07/28/89/560072889.db2.gz KGHSTAMKPPWTCL-GWUGCHCVSA-N 1 1 589.773 5.802 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532363 560072996 /nfs/dbraw/zinc/07/29/96/560072996.db2.gz JEZHWXCCRGAZAB-JCHDKBKWSA-N 1 1 577.806 7.162 1 0 biogenic,in-vitro KKAFMO CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(SC)[nH+]1 ZINC000043067743 562645410 /nfs/dbraw/zinc/64/54/10/562645410.db2.gz AOPVMCZBSCHIFZ-HTAPYJJXSA-N 1 1 533.967 7.653 1 0 KKAFMO CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]c(SC)n1 ZINC000043067743 562645411 /nfs/dbraw/zinc/64/54/11/562645411.db2.gz AOPVMCZBSCHIFZ-HTAPYJJXSA-N 1 1 533.967 7.653 1 0 KKAFMO Cc1nc(NC2CCCCC2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043120479 562646076 /nfs/dbraw/zinc/64/60/76/562646076.db2.gz VFFHCGPPCOGILD-AVRWGWEMSA-N 1 1 527.938 7.772 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](CCNc3c4ccc(Cl)cc4nc4c3CCCC4)CC1)C2 ZINC000043174936 562646594 /nfs/dbraw/zinc/64/65/94/562646594.db2.gz FNBJPXIAYRUTAU-QFIPXVFZSA-N 1 1 548.127 6.353 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651225 /nfs/dbraw/zinc/65/12/25/562651225.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 1 1 526.743 5.943 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC000043910836 562651226 /nfs/dbraw/zinc/65/12/26/562651226.db2.gz DYEOLAMWQVWASS-XKCSGWQSSA-N 1 1 526.743 5.943 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@]3(C)CCC[N@@H+]3CC(C)C)ncn2)s1 ZINC000044305185 562653388 /nfs/dbraw/zinc/65/33/88/562653388.db2.gz BEXYIRSMMSBHSQ-LJAQVGFWSA-N 1 1 612.678 6.972 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(-c2cnc(Cc3ccc(C)cc3)n(C)c2=O)cc1F ZINC000044351323 562654593 /nfs/dbraw/zinc/65/45/93/562654593.db2.gz ATTJPKDHHQLOJJ-UHFFFAOYSA-N 1 1 624.713 5.936 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3 ZINC000044352039 562654980 /nfs/dbraw/zinc/65/49/80/562654980.db2.gz FACPTWNXIVCGNY-KYJUHHDHSA-N 1 1 634.729 6.791 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3nocc3-c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000044406142 562656824 /nfs/dbraw/zinc/65/68/24/562656824.db2.gz GSMNVYBDJYKVCY-NPLMNSEMSA-N 1 1 527.709 6.270 1 0 KKAFMO CCc1ccccc1C(=O)N([C@H](CC[NH+]1CCOCC1)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000044406411 562656871 /nfs/dbraw/zinc/65/68/71/562656871.db2.gz JLJMQIQMPOTPTK-MUUNZHRXSA-N 1 1 541.132 5.364 1 0 KKAFMO CC[N@@H+](CCCCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416917 562657033 /nfs/dbraw/zinc/65/70/33/562657033.db2.gz HEFQMXPMNNIPRC-UHFFFAOYSA-N 1 1 582.214 6.380 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3nc(-c4ccccc4)c[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417182 562657055 /nfs/dbraw/zinc/65/70/55/562657055.db2.gz HTMDNDFAQVGELR-ILJQZKEFSA-N 1 1 526.725 6.005 1 0 KKAFMO Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2ccc(CC[NH+]3CCOCC3)cn2)ncn1 ZINC000044417776 562657222 /nfs/dbraw/zinc/65/72/22/562657222.db2.gz QKOSSPWEUIPRQF-UHFFFAOYSA-N 1 1 541.059 5.534 1 0 KKAFMO CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000044418652 562657345 /nfs/dbraw/zinc/65/73/45/562657345.db2.gz FVTAFOSCFIQSHW-TUMTZTIRSA-N 1 1 548.665 6.764 1 0 KKAFMO CC(C)CCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000044430700 562657653 /nfs/dbraw/zinc/65/76/53/562657653.db2.gz XCHMPVBATAQYON-UHFFFAOYSA-N 1 1 536.547 7.270 1 0 KKAFMO O=C(NC[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045169106 562658231 /nfs/dbraw/zinc/65/82/31/562658231.db2.gz QHRVZLGUVNELPH-QGZVFWFLSA-N 1 1 512.519 6.705 1 0 KKAFMO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NCc4cc5sccc5nc4C(F)(F)F)CC3)c2c1 ZINC000045187729 562658259 /nfs/dbraw/zinc/65/82/59/562658259.db2.gz HGMDYULYYUBCKT-QHCPKHFHSA-N 1 1 516.589 5.160 1 0 KKAFMO CCCCC[N@H+]1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191188 562658590 /nfs/dbraw/zinc/65/85/90/562658590.db2.gz JXHFQTBGHGKBPZ-QFIPXVFZSA-N 1 1 511.610 5.281 1 0 KKAFMO C[N@@H+]1CCC[C@@H](CN2CCN(Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658889 /nfs/dbraw/zinc/65/88/89/562658889.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 1 1 503.691 5.557 1 0 KKAFMO C[N@H+]1CCC[C@@H](CN2CCN(Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195373 562658890 /nfs/dbraw/zinc/65/88/90/562658890.db2.gz JVKHWBLFNHRHKG-JOCHJYFZSA-N 1 1 503.691 5.557 1 0 KKAFMO CC(C)(C[NH2+]Cc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000045227810 562659389 /nfs/dbraw/zinc/65/93/89/562659389.db2.gz MEMVYMCFYSLROY-UHFFFAOYSA-N 1 1 501.845 6.872 1 0 KKAFMO COc1ccccc1-c1cccc2c(NC(=O)Nc3ccc4[nH+]ccc(N5CCN(C)CC5)c4c3)ccnc21 ZINC000045228127 562659452 /nfs/dbraw/zinc/65/94/52/562659452.db2.gz WKBMOFKGZJTGCY-UHFFFAOYSA-N 1 1 518.621 5.854 1 0 KKAFMO CN1CCN(CCC[NH2+]Cc2ccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)cc2)CC1 ZINC000045230019 562659577 /nfs/dbraw/zinc/65/95/77/562659577.db2.gz XURSSSYRBDZRKD-UHFFFAOYSA-N 1 1 523.685 5.483 1 0 KKAFMO COc1cc(Nc2cc[nH+]c3cc(-c4nccs4)ccc23)ccc1OCCCc1nc2ccccc2[nH]1 ZINC000045302369 562660589 /nfs/dbraw/zinc/66/05/89/562660589.db2.gz OUSPIQCRNXQHHJ-UHFFFAOYSA-N 1 1 507.619 6.998 1 0 KKAFMO CCCCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323498 562661157 /nfs/dbraw/zinc/66/11/57/562661157.db2.gz PRVWPDNOPRWOEL-IBGZPJMESA-N 1 1 511.610 5.138 1 0 KKAFMO Cc1nc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)c4cc5cccc(Cl)c5[nH]4)CC2)CC3)no1 ZINC000045325147 562661263 /nfs/dbraw/zinc/66/12/63/562661263.db2.gz BXIWNUVDRWAURS-UHFFFAOYSA-N 1 1 532.088 5.959 1 0 KKAFMO CCCCCCc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045357139 562661939 /nfs/dbraw/zinc/66/19/39/562661939.db2.gz AKHYQVJWINKNOW-UHFFFAOYSA-N 1 1 539.764 9.278 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)C13CC4CC(CC(C4)C1)C3)c2NC(C)(C)CC(C)(C)C ZINC000045369113 562662192 /nfs/dbraw/zinc/66/21/92/562662192.db2.gz LPNFCQPJCPPWSR-UHFFFAOYSA-N 1 1 513.726 8.058 1 0 KKAFMO Cc1ccc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045386169 562662370 /nfs/dbraw/zinc/66/23/70/562662370.db2.gz OARSBEWSQQVEMU-SSEXGKCCSA-N 1 1 504.074 5.369 1 0 KKAFMO Cc1ccc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045386169 562662371 /nfs/dbraw/zinc/66/23/71/562662371.db2.gz OARSBEWSQQVEMU-SSEXGKCCSA-N 1 1 504.074 5.369 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(F)c(F)c1 ZINC000045497060 562662725 /nfs/dbraw/zinc/66/27/25/562662725.db2.gz XEBPZCFVRSISHA-BHBYDHKZSA-N 1 1 522.636 6.172 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(F)c(F)c1 ZINC000045497060 562662726 /nfs/dbraw/zinc/66/27/26/562662726.db2.gz XEBPZCFVRSISHA-BHBYDHKZSA-N 1 1 522.636 6.172 1 0 KKAFMO COc1cc2nc(N3CCC[N@H+](CCN4CCCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045498288 562662772 /nfs/dbraw/zinc/66/27/72/562662772.db2.gz MZMSTOZENSISQX-UHFFFAOYSA-N 1 1 525.097 5.042 1 0 KKAFMO COc1cc2nc(N3CCC[N@@H+](CCN4CCCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045498288 562662773 /nfs/dbraw/zinc/66/27/73/562662773.db2.gz MZMSTOZENSISQX-UHFFFAOYSA-N 1 1 525.097 5.042 1 0 KKAFMO CC(C)(C(=O)Nc1ccc(N2CCC3(CCC[N@@H+](CC4CC4)C3)CC2)c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000048307352 562662993 /nfs/dbraw/zinc/66/29/93/562662993.db2.gz BFQIXAUJKUXPII-UHFFFAOYSA-N 1 1 548.093 7.368 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@@H]4C[C@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000049034153 562663486 /nfs/dbraw/zinc/66/34/86/562663486.db2.gz DRKUAUJUSZGTGW-QXNWPYRLSA-N 1 1 511.739 6.392 1 0 KKAFMO CC[NH+](CC)CCNC(=O)c1nc2cn[nH]c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c-2c1C ZINC000049048455 562663724 /nfs/dbraw/zinc/66/37/24/562663724.db2.gz PBDWKKSYCSLCRJ-UHFFFAOYSA-N 1 1 525.028 5.453 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@@H+](CCCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664294 /nfs/dbraw/zinc/66/42/94/562664294.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 1 1 516.693 6.155 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@H+](CCCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049073390 562664295 /nfs/dbraw/zinc/66/42/95/562664295.db2.gz RTNSNXZDKKABAY-WJOKGBTCSA-N 1 1 516.693 6.155 1 0 KKAFMO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](Cc2cccc(NC(C)=O)c2)CC3)cc1 ZINC000049089694 562664472 /nfs/dbraw/zinc/66/44/72/562664472.db2.gz JWVAOOHPEPQNQV-UHFFFAOYSA-N 1 1 505.684 5.389 1 0 KKAFMO Cc1cc(C)c(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c(C)c1 ZINC000049604917 562665072 /nfs/dbraw/zinc/66/50/72/562665072.db2.gz JLEHUNZWGGPSBR-PKNBQFBNSA-N 1 1 545.555 6.458 1 0 KKAFMO Cn1c2ccccc2c2c1CC[N@H+](CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605009 562665230 /nfs/dbraw/zinc/66/52/30/562665230.db2.gz RJLGXVRLVXGYAW-JGCGQSQUSA-N 1 1 562.541 6.230 1 0 KKAFMO CC[NH+](CC)CCCCNc1cc(-c2[nH]c(-c3c(Cl)cccc3Cl)nc2-c2ccc3cc(OC)ccc3c2)ccn1 ZINC000049605329 562665669 /nfs/dbraw/zinc/66/56/69/562665669.db2.gz MCRUWWVVNHULLR-UHFFFAOYSA-N 1 1 588.583 8.808 1 0 KKAFMO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@@H+](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605362 562665728 /nfs/dbraw/zinc/66/57/28/562665728.db2.gz LGRMYYUELOYAIG-NQPYUKKHSA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CCN(C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605362 562665729 /nfs/dbraw/zinc/66/57/29/562665729.db2.gz LGRMYYUELOYAIG-NQPYUKKHSA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@H+](C)CCN(C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605362 562665730 /nfs/dbraw/zinc/66/57/30/562665730.db2.gz LGRMYYUELOYAIG-NQPYUKKHSA-N 1 1 676.848 5.445 1 0 KKAFMO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626347 562667166 /nfs/dbraw/zinc/66/71/66/562667166.db2.gz ICTDNSCIVSSZQH-QHCPKHFHSA-N 1 1 590.568 6.632 1 0 KKAFMO c1ccc(-c2cc(NCCCCCCCCNc3cc(-c4ccccc4)[nH+]c4ccccc34)c3ccccc3n2)cc1 ZINC000049639243 562667738 /nfs/dbraw/zinc/66/77/38/562667738.db2.gz FNIDRCPXJSYPFT-UHFFFAOYSA-N 1 1 550.750 9.982 1 0 KKAFMO 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)N(C)CC4 ZINC000049650105 562668007 /nfs/dbraw/zinc/66/80/07/562668007.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 1 1 730.833 8.512 1 0 KKAFMO 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)N(C)CC4 ZINC000049650105 562668008 /nfs/dbraw/zinc/66/80/08/562668008.db2.gz AYKXURHKDDBPAN-OIDHKYIRSA-N 1 1 730.833 8.512 1 0 KKAFMO O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000049694478 562669360 /nfs/dbraw/zinc/66/93/60/562669360.db2.gz XLBQUYHGILHFJF-VXQMPNGUSA-N 1 1 542.461 6.371 1 0 KKAFMO CN1CC[NH+](Cc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)cc3)ccc2-c2ccccc2)CC1 ZINC000049710361 562671620 /nfs/dbraw/zinc/67/16/20/562671620.db2.gz XJXZHCYPYIWTPZ-UHFFFAOYSA-N 1 1 530.499 7.327 1 0 KKAFMO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710924 562671853 /nfs/dbraw/zinc/67/18/53/562671853.db2.gz WZXINJTXKIEZPD-KSEOMHKRSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049710931 562671870 /nfs/dbraw/zinc/67/18/70/562671870.db2.gz VDHBNTOSNXJAHG-UXBLZVDNSA-N 1 1 588.432 7.005 1 0 KKAFMO CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049722832 562672593 /nfs/dbraw/zinc/67/25/93/562672593.db2.gz GXTVZAVNOAHWGN-UHFFFAOYSA-N 1 1 610.105 5.961 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)c(OC[C@H]5CCC[N@H+]5C)c4)cc3)c(C)c2)no1 ZINC000049723100 562672969 /nfs/dbraw/zinc/67/29/69/562672969.db2.gz FATALUFUHIMWIK-XMMPIXPASA-N 1 1 608.480 6.350 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)c(OC[C@H]5CCC[N@@H+]5C)c4)cc3)c(C)c2)no1 ZINC000049723100 562672970 /nfs/dbraw/zinc/67/29/70/562672970.db2.gz FATALUFUHIMWIK-XMMPIXPASA-N 1 1 608.480 6.350 1 0 KKAFMO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CCC1CCC(NC(=O)c3cc4cccc(Br)c4[nH]3)CC1)CC2 ZINC000049746242 562674330 /nfs/dbraw/zinc/67/43/30/562674330.db2.gz CRIDAXWUHFTOOK-UHFFFAOYSA-N 1 1 572.569 5.113 1 0 KKAFMO COc1cc(C(=O)Nn2c(C)c(C)[nH+]c2NCc2ccc(-c3cc(Cl)cc(F)c3-c3noc(C)n3)cc2F)on1 ZINC000049757404 562675997 /nfs/dbraw/zinc/67/59/97/562675997.db2.gz IOMRQKCYHOEINE-UHFFFAOYSA-N 1 1 569.956 5.450 1 0 KKAFMO COc1ccc(S(=O)(=O)N(CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC2CCCCC2)cc1 ZINC000049763102 562676816 /nfs/dbraw/zinc/67/68/16/562676816.db2.gz XRFNGTPQLMHMKC-UHFFFAOYSA-N 1 1 553.691 5.497 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000049766913 562677263 /nfs/dbraw/zinc/67/72/63/562677263.db2.gz KBJCTAIADOTYHC-UHFFFAOYSA-N 1 1 558.683 5.814 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000049768156 562677862 /nfs/dbraw/zinc/67/78/62/562677862.db2.gz NQHMMDRPRXVCLT-UHFFFAOYSA-N 1 1 556.692 5.381 1 0 KKAFMO CC[N@@H+](C[C@@H](CC1CCCCC1)NC(=O)OCc1cncs1)C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1 ZINC000049774935 562678778 /nfs/dbraw/zinc/67/87/78/562678778.db2.gz LIXMKOKUEJGOKF-CLJLJLNGSA-N 1 1 605.871 6.752 1 0 KKAFMO CC[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049775294 562678995 /nfs/dbraw/zinc/67/89/95/562678995.db2.gz ICNXLCSJEDSWTK-IZZNHLLZSA-N 1 1 593.775 5.297 1 0 KKAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[NH+]2CCN(C)CC2)ncn1 ZINC000049775395 562679034 /nfs/dbraw/zinc/67/90/34/562679034.db2.gz FILQIUCXPQZUON-UHFFFAOYSA-N 1 1 643.718 6.188 1 0 KKAFMO CCCCCCNC(=O)Oc1cccc(C[N@@H+](C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000049776999 562679504 /nfs/dbraw/zinc/67/95/04/562679504.db2.gz SHAWTVDNEZSOSR-UHFFFAOYSA-N 1 1 542.676 7.030 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1N1CCCCC1 ZINC000049780323 562681631 /nfs/dbraw/zinc/68/16/31/562681631.db2.gz GMJFBSUIRRLORG-UHFFFAOYSA-N 1 1 554.566 5.834 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3cnn4c3nccc4-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc2)CC1 ZINC000049780440 562681731 /nfs/dbraw/zinc/68/17/31/562681731.db2.gz BUZOTBWJKYSTEL-UHFFFAOYSA-N 1 1 570.619 6.082 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049780555 562681912 /nfs/dbraw/zinc/68/19/12/562681912.db2.gz ZEPHLNBTTWLPPY-JSAVKQRWSA-N 1 1 573.686 5.904 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)[C@@H]2CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780761 562682148 /nfs/dbraw/zinc/68/21/48/562682148.db2.gz AEZOKRGSPAENOS-GOOPYHEFSA-N 1 1 627.867 5.954 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(C[NH+]5CCOCC5)cc4)cc32)cc1 ZINC000049784196 562683496 /nfs/dbraw/zinc/68/34/96/562683496.db2.gz DWMNINPORGJSKR-UHFFFAOYSA-N 1 1 549.679 5.754 1 0 KKAFMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CN(c2ccccc2)CCC1=O ZINC000049802478 562685723 /nfs/dbraw/zinc/68/57/23/562685723.db2.gz IRLLVXSDXRTXJW-USMNODJMSA-N 1 1 534.059 6.082 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(OC)c3C)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049823213 562687105 /nfs/dbraw/zinc/68/71/05/562687105.db2.gz IPORYFWZTGTXGH-CYEXUTLASA-N 1 1 653.820 5.535 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867655 562689619 /nfs/dbraw/zinc/68/96/19/562689619.db2.gz QVHYASLLUGSFEA-FRXPANAUSA-N 1 1 527.709 5.804 1 0 KKAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000049878251 562690528 /nfs/dbraw/zinc/69/05/28/562690528.db2.gz WVLWELNDFLMMMS-RUZDIDTESA-N 1 1 548.753 5.056 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(=O)Cc4cccs4)C[C@@H](C2)[NH2+]3)cc1 ZINC000049889121 562691816 /nfs/dbraw/zinc/69/18/16/562691816.db2.gz BHRDCMDLPOMRDO-QTQRRKOQSA-N 1 1 700.301 6.623 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CC[N@H+]1C ZINC000049898844 562692917 /nfs/dbraw/zinc/69/29/17/562692917.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 1 1 652.788 7.171 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CC[N@@H+]1C ZINC000049898844 562692918 /nfs/dbraw/zinc/69/29/18/562692918.db2.gz CSSMMPVCSZYFES-KYJUHHDHSA-N 1 1 652.788 7.171 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000049917971 562694254 /nfs/dbraw/zinc/69/42/54/562694254.db2.gz DIURPLJNGKEPCI-BQHJZSHBSA-N 1 1 557.349 6.951 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1 ZINC000049917700 562693779 /nfs/dbraw/zinc/69/37/79/562693779.db2.gz LCOORGOJQLVBCB-UHFFFAOYSA-N 1 1 524.572 5.230 1 0 KKAFMO CC[N@H+]1CC[C@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049917865 562694000 /nfs/dbraw/zinc/69/40/00/562694000.db2.gz WDQWQNOQDURTBH-PMERELPUSA-N 1 1 691.766 8.381 1 0 KKAFMO COCC[N@@H+](C)CCCOc1cc2c(cc1OC)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1 ZINC000049918000 562694268 /nfs/dbraw/zinc/69/42/68/562694268.db2.gz USMWVHDMUJVVGK-UHFFFAOYSA-N 1 1 592.640 5.139 1 0 KKAFMO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@H]3CCC[N@H+]3C)cc21 ZINC000049918079 562694417 /nfs/dbraw/zinc/69/44/17/562694417.db2.gz YPAALVSCLPQHDI-JGCGQSQUSA-N 1 1 703.752 7.882 1 0 KKAFMO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)NC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938417 562695285 /nfs/dbraw/zinc/69/52/85/562695285.db2.gz AOSUFTVXIKYDQL-UHFFFAOYSA-N 1 1 642.772 7.175 1 0 KKAFMO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)NC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049938417 562695286 /nfs/dbraw/zinc/69/52/86/562695286.db2.gz AOSUFTVXIKYDQL-UHFFFAOYSA-N 1 1 642.772 7.175 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc6[nH]ccc6c5)nc(-c5cccc(C)c5)c4)CC3)CC2)CC1 ZINC000053298459 562697524 /nfs/dbraw/zinc/69/75/24/562697524.db2.gz JKGNQCZWTAIJRT-UHFFFAOYSA-N 1 1 632.809 5.213 1 0 KKAFMO CCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccc(Cl)cc1 ZINC000058541330 562698934 /nfs/dbraw/zinc/69/89/34/562698934.db2.gz JOPUXNGFWPEVOR-UHFFFAOYSA-N 1 1 533.931 6.386 1 0 KKAFMO CC(=O)NC(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 ZINC000058591695 562700503 /nfs/dbraw/zinc/70/05/03/562700503.db2.gz YYCCWOBZNRVRNZ-SWFBWHSRSA-N 1 1 630.176 5.625 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000058608725 562700953 /nfs/dbraw/zinc/70/09/53/562700953.db2.gz WQPYGRKAOXZYEH-UTEVTPAPSA-N 1 1 693.914 6.136 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CCCC(C)C)c(OC)c1 ZINC000059033370 562701601 /nfs/dbraw/zinc/70/16/01/562701601.db2.gz GXNZMFCHMHMNKL-HSZRJFAPSA-N 1 1 580.766 7.178 1 0 KKAFMO CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000059033388 562701664 /nfs/dbraw/zinc/70/16/64/562701664.db2.gz UMBOTWHGQWPMQM-HSZRJFAPSA-N 1 1 582.738 6.669 1 0 KKAFMO CCC[C@@H]1C[C@H]([N@@H+](C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O ZINC000059778756 562702250 /nfs/dbraw/zinc/70/22/50/562702250.db2.gz KIORFJWRSNTHMK-WOLFRULKSA-N 1 1 567.697 5.244 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796293 562702293 /nfs/dbraw/zinc/70/22/93/562702293.db2.gz LSIDHJBKTOAZTN-FSOZDLKISA-N 1 1 568.639 7.576 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000059796426 562702334 /nfs/dbraw/zinc/70/23/34/562702334.db2.gz FGNVWFVQBRWEIN-OWGSQAEBSA-N 1 1 567.651 8.181 3 0 KKAFMO Cc1cccnc1[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000061904415 562703045 /nfs/dbraw/zinc/70/30/45/562703045.db2.gz JPKYRPXHLQPEJB-RUZDIDTESA-N 1 1 502.873 6.468 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(OC)c3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061908844 562703112 /nfs/dbraw/zinc/70/31/12/562703112.db2.gz RVXYWYZDAFWICY-UHFFFAOYSA-N 1 1 507.432 5.947 3 0 KKAFMO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@H]1CC[C@]2(c3cccc(CN4CCN(C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000064394232 562704968 /nfs/dbraw/zinc/70/49/68/562704968.db2.gz MSGLJZRUHLHKNC-CUQOEXLPSA-N 1 1 598.251 6.690 1 0 KKAFMO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3C)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064436753 562705225 /nfs/dbraw/zinc/70/52/25/562705225.db2.gz OKXYKSQQZLCBJK-GOTSBHOMSA-N 1 1 512.621 5.203 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453590 562705629 /nfs/dbraw/zinc/70/56/29/562705629.db2.gz GWZWYWRLKFPZBS-MXVRANJGSA-N 1 1 515.661 6.112 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2cn[nH]n2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513162 562706306 /nfs/dbraw/zinc/70/63/06/562706306.db2.gz VHZRLOCLGKGRGG-WEWMWRJBSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2c[nH]nn2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513162 562706307 /nfs/dbraw/zinc/70/63/07/562706307.db2.gz VHZRLOCLGKGRGG-WEWMWRJBSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2c[nH]nn2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513162 562706308 /nfs/dbraw/zinc/70/63/08/562706308.db2.gz VHZRLOCLGKGRGG-WEWMWRJBSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1ccc(C[NH+]2CCOCC2)cc1 ZINC000066066462 562709364 /nfs/dbraw/zinc/70/93/64/562709364.db2.gz QZLWDYINRJTWPO-PKNBQFBNSA-N 1 1 545.058 6.903 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074416 562709780 /nfs/dbraw/zinc/70/97/80/562709780.db2.gz HHPXXUVAVCXMQF-HKBQPEDESA-N 1 1 631.652 6.909 1 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@H+]2CCC[C@@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075876 562710028 /nfs/dbraw/zinc/71/00/28/562710028.db2.gz SZNLBOGTJLMSEB-POUUTPHOSA-N 1 1 586.688 5.508 1 0 KKAFMO CC(C)c1ccc(-c2ccc(NC(=O)[C@@H]([NH2+]CCN3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101595 562711385 /nfs/dbraw/zinc/71/13/85/562711385.db2.gz BYWHBBZUWYOAJA-YBOCLADASA-N 1 1 615.822 7.466 1 0 KKAFMO C[C@H](CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066102755 562711469 /nfs/dbraw/zinc/71/14/69/562711469.db2.gz BIVSVAQJIFJHIC-XVYDGTNWSA-N 1 1 550.828 5.738 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066113993 562712312 /nfs/dbraw/zinc/71/23/12/562712312.db2.gz WNPHLDLXBWNIPR-YRCZKMHPSA-N 1 1 642.036 6.660 3 0 KKAFMO CC[NH+]1CCN(C(=O)/C(F)=C/c2c(C)ncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)CC1 ZINC000066136532 562713197 /nfs/dbraw/zinc/71/31/97/562713197.db2.gz DDUXEFVABXYEDJ-IWIPYMOSSA-N 1 1 528.003 5.375 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138364 562713296 /nfs/dbraw/zinc/71/32/96/562713296.db2.gz GDJZYFWFJVXXLZ-ZLESDFJESA-N 1 1 630.025 6.429 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066148490 562713647 /nfs/dbraw/zinc/71/36/47/562713647.db2.gz NLDQNXPJJNOIIK-BRUQSJHLSA-N 1 1 578.713 5.353 3 0 KKAFMO CCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066148935 562713721 /nfs/dbraw/zinc/71/37/21/562713721.db2.gz YZUXHOREZMQYCG-UHFFFAOYSA-N 1 1 521.727 5.148 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000066157076 562713899 /nfs/dbraw/zinc/71/38/99/562713899.db2.gz QDRBVCQGVAHXBS-JQASONJCSA-N 1 1 641.813 5.392 3 0 KKAFMO O=C(Nc1cccc(OCCCC[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000066251476 562714469 /nfs/dbraw/zinc/71/44/69/562714469.db2.gz OVZSVZAKIFUAKO-UHFFFAOYSA-N 1 1 598.710 6.413 1 0 KKAFMO COc1cc(C(=O)N2CC[NH+](CCCCOc3cccc(NC(=O)NC45CC6CC(CC(C6)C4)C5)c3)CC2)cc(OC)c1OC ZINC000066251475 562714475 /nfs/dbraw/zinc/71/44/75/562714475.db2.gz JZIRKNZVHPPKMT-UHFFFAOYSA-N 1 1 620.791 5.420 1 0 KKAFMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066259432 562715256 /nfs/dbraw/zinc/71/52/56/562715256.db2.gz NXLQPOGSCFFLAD-SZPZYZBQSA-N 1 1 596.753 5.837 1 0 KKAFMO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc([O-])c(Cl)c3)CC2)ccc1O ZINC000068106040 562715777 /nfs/dbraw/zinc/71/57/77/562715777.db2.gz NLEWMFKEAMXROY-DHUJRADRSA-N 1 1 717.329 6.857 1 0 KKAFMO C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)C[NH3+])C(C)(C)[C@@H]3CC[C@]12C ZINC000071295523 562717267 /nfs/dbraw/zinc/71/72/67/562717267.db2.gz UBPHOFZUCVSOKG-QUMRLDBXSA-N 1 1 517.795 6.251 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000071329612 562718951 /nfs/dbraw/zinc/71/89/51/562718951.db2.gz DYAJAGSJIXWNAW-RBJSKKJNSA-N 1 1 519.085 6.738 1 0 KKAFMO C[N@@H+](CC[C@@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330138 562719102 /nfs/dbraw/zinc/71/91/02/562719102.db2.gz KROSHEKWTTXFGB-XMMPIXPASA-N 1 1 512.500 6.547 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330694 562719180 /nfs/dbraw/zinc/71/91/80/562719180.db2.gz GGPDSNHLDADOIF-RPLLCQBOSA-N 1 1 523.073 5.444 1 0 KKAFMO O=C(OCc1cn([C@@H]2C[N@H+](CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072104493 562720484 /nfs/dbraw/zinc/72/04/84/562720484.db2.gz CXQUFXAIHBRRMW-VJGNERBWSA-N 1 1 509.050 5.218 1 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072105157 562720699 /nfs/dbraw/zinc/72/06/99/562720699.db2.gz HJLIQEBRJUVETG-SPWOZAQASA-N 1 1 720.021 6.031 3 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1 ZINC000072106314 562721024 /nfs/dbraw/zinc/72/10/24/562721024.db2.gz ILGBEANMYUWLKV-UHFFFAOYSA-N 1 1 514.501 5.382 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCC(C)C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107087 562721193 /nfs/dbraw/zinc/72/11/93/562721193.db2.gz JHPRPEBDIVGFOI-LXQNXJGFSA-N 1 1 642.275 7.587 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)(C)CO)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110225 562721795 /nfs/dbraw/zinc/72/17/95/562721795.db2.gz UUINUJQWNMVWJH-GKRYNVPLSA-N 1 1 658.274 6.702 1 0 KKAFMO C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072113823 562722490 /nfs/dbraw/zinc/72/24/90/562722490.db2.gz IYLTTYPBTAYEBL-RSQQNEHOSA-N 1 1 574.772 6.943 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccccc4)n3)CC2)cc1 ZINC000072119892 562723911 /nfs/dbraw/zinc/72/39/11/562723911.db2.gz DUZSQEFKRVQDGO-UHFFFAOYSA-N 1 1 524.684 6.253 1 0 KKAFMO C[N@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072122037 562724322 /nfs/dbraw/zinc/72/43/22/562724322.db2.gz QRMADVQLXBNEPI-UHFFFAOYSA-N 1 1 587.634 6.720 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127030 562725652 /nfs/dbraw/zinc/72/56/52/562725652.db2.gz RYDIFBSRXOKUDD-WISKXVKBSA-N 1 1 730.057 6.233 3 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000072132844 562726960 /nfs/dbraw/zinc/72/69/60/562726960.db2.gz JJNPXDAXMNUAFE-JODYMCNTSA-N 1 1 720.902 6.334 1 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134220 562727282 /nfs/dbraw/zinc/72/72/82/562727282.db2.gz JMUQRGSDGTXYBZ-SPWOZAQASA-N 1 1 726.069 6.759 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072135775 562727551 /nfs/dbraw/zinc/72/75/51/562727551.db2.gz JVYPBTFUSNVQST-WISKXVKBSA-N 1 1 670.005 6.129 3 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135852 562727597 /nfs/dbraw/zinc/72/75/97/562727597.db2.gz ROVGVQKXMAMTLO-BQYLNSIHSA-N 1 1 712.042 6.369 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072136132 562727790 /nfs/dbraw/zinc/72/77/90/562727790.db2.gz OMPYFAIFRLVIFJ-DNHJLFCISA-N 1 1 621.741 5.895 3 0 KKAFMO COc1cccc(C[N@@H+](C)C[C@@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000072139444 562728931 /nfs/dbraw/zinc/72/89/31/562728931.db2.gz DIYZUOHLOSFTTI-OXYPMYLPSA-N 1 1 555.719 5.344 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000072139640 562729026 /nfs/dbraw/zinc/72/90/26/562729026.db2.gz LELBVVXWCNYFBB-IHLWBQKJSA-N 1 1 645.797 5.595 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072140745 562729149 /nfs/dbraw/zinc/72/91/49/562729149.db2.gz GYVMMSZRDNYAJW-GJBCSVNNSA-N 1 1 635.988 5.932 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000072140876 562729218 /nfs/dbraw/zinc/72/92/18/562729218.db2.gz JXVCNLJRMRUZKV-MJZSVGSSSA-N 1 1 681.852 5.144 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072141711 562729431 /nfs/dbraw/zinc/72/94/31/562729431.db2.gz VSOPVNLTBVGPHU-GJBCSVNNSA-N 1 1 635.988 5.932 3 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072142554 562729594 /nfs/dbraw/zinc/72/95/94/562729594.db2.gz ZZDIMCLMLOEIDD-XJZGFZNOSA-N 1 1 681.493 6.244 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172004 562730559 /nfs/dbraw/zinc/73/05/59/562730559.db2.gz JSMYFJXDBDPWRP-DEOSSOPVSA-N 1 1 528.605 5.511 1 0 KKAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000072174904 562731200 /nfs/dbraw/zinc/73/12/00/562731200.db2.gz JIZWRKLXONRFPJ-MUUNZHRXSA-N 1 1 621.010 5.191 1 0 KKAFMO Cc1cc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000073165023 562734378 /nfs/dbraw/zinc/73/43/78/562734378.db2.gz MCUUHFLEFBJLQG-UHFFFAOYSA-N 1 1 616.489 6.739 1 0 KKAFMO O=C(N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000073277444 562737344 /nfs/dbraw/zinc/73/73/44/562737344.db2.gz AKEVWYSMNVSIRA-VWLOTQADSA-N 1 1 511.453 5.116 1 0 KKAFMO O=C([C@H]1CNCC(=O)N1c1ccc(OCCCOCc2ccccc2)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140053 562739294 /nfs/dbraw/zinc/73/92/94/562739294.db2.gz WAZNVPCGIXCIMD-JGCGQSQUSA-N 1 1 655.186 5.219 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)NCC(=O)N2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000082140036 562739308 /nfs/dbraw/zinc/73/93/08/562739308.db2.gz YFIUWZSEDVFKAU-JSOSNVBQSA-N 1 1 638.596 5.818 1 0 KKAFMO COc1ccc(C[C@@H]2CC(=O)N(c3ccccc3C(=O)OC[C@H]3CCC[N@@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000082153452 562740187 /nfs/dbraw/zinc/74/01/87/562740187.db2.gz UNYHZMFOWCLOMI-WUFINQPMSA-N 1 1 554.687 5.319 1 0 KKAFMO O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CC[NH+](C2CCN(C(=O)N3CCCCC3)CC2)CC1 ZINC000084432503 562743077 /nfs/dbraw/zinc/74/30/77/562743077.db2.gz ZANOQPOBUMZHRD-UHFFFAOYSA-N 1 1 537.708 5.244 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084587373 562743491 /nfs/dbraw/zinc/74/34/91/562743491.db2.gz VXISNMXPTRVCSU-UHFFFAOYSA-N 1 1 532.088 7.305 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084587376 562743508 /nfs/dbraw/zinc/74/35/08/562743508.db2.gz XQFGJXHDFVOVBG-UHFFFAOYSA-N 1 1 546.115 7.695 1 0 KKAFMO CCC[C@H](O)[C@H](C[N@@H+](Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000084616323 562744620 /nfs/dbraw/zinc/74/46/20/562744620.db2.gz NAEPLFSVLMJEKM-NSOVKSMOSA-N 1 1 621.745 5.138 1 0 KKAFMO COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)oc2c1 ZINC000084617324 562744852 /nfs/dbraw/zinc/74/48/52/562744852.db2.gz RRTQIJJHXQOLEO-UHFFFAOYSA-N 1 1 571.718 6.897 1 0 KKAFMO COc1cc(=O)c2c(O)cc(C(=O)NCCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)oc-2c1 ZINC000084617324 562744853 /nfs/dbraw/zinc/74/48/53/562744853.db2.gz RRTQIJJHXQOLEO-UHFFFAOYSA-N 1 1 571.718 6.897 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCCN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000084634917 562745977 /nfs/dbraw/zinc/74/59/77/562745977.db2.gz VJCLFCDNANYOIO-UHFFFAOYSA-N 1 1 579.107 5.467 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)NCCC[NH+](C)C ZINC000084652021 562746378 /nfs/dbraw/zinc/74/63/78/562746378.db2.gz YUXINZAJBCZCCX-SNCSUOKWSA-N 1 1 742.847 6.572 1 0 KKAFMO O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1[NH2+]Cc1ccccc1 ZINC000084653245 562746780 /nfs/dbraw/zinc/74/67/80/562746780.db2.gz QCSCGVWMBKQFFE-GJULFRLMSA-N 1 1 633.725 7.492 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670397 562748266 /nfs/dbraw/zinc/74/82/66/562748266.db2.gz AAUXQGPPOOVWEC-AUYMKZDKSA-N 1 1 702.469 10.206 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670397 562748267 /nfs/dbraw/zinc/74/82/67/562748267.db2.gz AAUXQGPPOOVWEC-AUYMKZDKSA-N 1 1 702.469 10.206 1 0 KKAFMO COc1cc2c(cc1O)[C@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@@H](C2)N1C ZINC000084670872 562748423 /nfs/dbraw/zinc/74/84/23/562748423.db2.gz WQYVZFLXYIOFCT-JFHPUIQFSA-N 1 1 638.761 6.523 1 0 KKAFMO Cc1[nH+]c(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2C2CCC2)s1 ZINC000084688149 562749072 /nfs/dbraw/zinc/74/90/72/562749072.db2.gz ZMEYXULZOZHOBU-NQOAKRMUSA-N 1 1 630.693 5.310 1 0 KKAFMO CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084689675 562749378 /nfs/dbraw/zinc/74/93/78/562749378.db2.gz ARQRVZLTAYIRAS-ZEVJAHDQSA-N 1 1 606.755 5.790 1 0 KKAFMO Cc1ccc(C[N@@H+](CCCOc2ccc(Br)cc2)C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706904 562750044 /nfs/dbraw/zinc/75/00/44/562750044.db2.gz NMAPRFKGBGQHBH-MUUNZHRXSA-N 1 1 571.466 5.486 1 0 KKAFMO CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084741991 562752219 /nfs/dbraw/zinc/75/22/19/562752219.db2.gz WYIDDZWJJNBWTK-IMSXRSKXSA-N 1 1 578.701 5.154 1 0 KKAFMO CC(C)C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000095540416 562755715 /nfs/dbraw/zinc/75/57/15/562755715.db2.gz KSTGYGUALIWURS-JSQBRMMTSA-N 1 1 794.949 8.219 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccc(Br)cc1 ZINC000095542244 562756573 /nfs/dbraw/zinc/75/65/73/562756573.db2.gz NDDOZLXOQJVCBT-NREVGYPESA-N 1 1 814.822 5.404 1 0 KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757131 /nfs/dbraw/zinc/75/71/31/562757131.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 1 1 799.832 7.789 1 0 in-vivo KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Br)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095543246 562757132 /nfs/dbraw/zinc/75/71/32/562757132.db2.gz WYQZODVBTOVVOF-RATRSTDQSA-N 1 1 799.832 7.789 1 0 in-vivo KKAFMO CC[NH+](CC)CCCOc1ccc(-c2nc3ccccc3n2C/C=C/Cn2c3ccccc3nc2-c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000095544661 562757778 /nfs/dbraw/zinc/75/77/78/562757778.db2.gz FHMWRCSIRLHLAI-OUKQBFOZSA-N 1 1 788.053 9.678 1 0 KKAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCCc1c[nH]c2ccccc12)C(C)C ZINC000095546183 562758350 /nfs/dbraw/zinc/75/83/50/562758350.db2.gz GJKZXNKOLHVFQP-WVBQXTTCSA-N 1 1 788.990 5.165 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000095546170 562758388 /nfs/dbraw/zinc/75/83/88/562758388.db2.gz NGDKIABSGYOZAO-NREVGYPESA-N 1 1 770.371 5.295 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)CC[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095548764 562759472 /nfs/dbraw/zinc/75/94/72/562759472.db2.gz ILJPDTWUECJVGE-UHFFFAOYSA-N 1 1 776.887 6.194 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555913 562761646 /nfs/dbraw/zinc/76/16/46/562761646.db2.gz BGXSBQPQELZHHE-UHFFFAOYSA-N 1 1 848.436 7.834 1 0 KKAFMO C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000095559307 562762709 /nfs/dbraw/zinc/76/27/09/562762709.db2.gz VALXHTYNSBIIKC-ABENWPRUSA-N 1 1 518.745 7.761 1 0 KKAFMO CCCCc1sc(-c2ccc(OCCC[NH+]3CCN(C)CC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559991 562762967 /nfs/dbraw/zinc/76/29/67/562762967.db2.gz ZZCMDTGVSVSYGD-UHFFFAOYSA-N 1 1 576.206 8.282 1 0 KKAFMO CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)CN(C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[N@@H+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763408 /nfs/dbraw/zinc/76/34/08/562763408.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 1 1 806.017 5.107 1 0 KKAFMO CCC(=O)NC[C@]1(O)[C@@H]2N(C)c3cc(OC)c([C@@]4(C(=O)OC)C[C@@H]5C=C(CC)CN(C5)Cc5c6ccccc6[nH]c54)cc3[C@@]23CC[N@H+]2CC=C[C@](CC)([C@H]23)[C@H]1OC(C)=O ZINC000095561473 562763409 /nfs/dbraw/zinc/76/34/09/562763409.db2.gz WTQBCRIOGATAFO-QCWGDPBCSA-N 1 1 806.017 5.107 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(-c2ccc3nc(Nc4ccc(S(=O)(=O)N5CC[NH2+]CC5)cc4)sc3n2)c1 ZINC000095563194 562763914 /nfs/dbraw/zinc/76/39/14/562763914.db2.gz GOATUXQBZMLHJF-UHFFFAOYSA-N 1 1 638.697 5.967 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095564529 562764347 /nfs/dbraw/zinc/76/43/47/562764347.db2.gz ISYWMCSQLOVTPH-SBCJZHDBSA-N 1 1 643.829 5.078 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095565252 562764580 /nfs/dbraw/zinc/76/45/80/562764580.db2.gz NFAXCMDMUUMVRW-SGBCODJCSA-N 1 1 666.863 7.411 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566358 562764920 /nfs/dbraw/zinc/76/49/20/562764920.db2.gz HMCLAGFKTYIJCB-IKTKBOKFSA-N 1 1 648.726 6.784 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566363 562764960 /nfs/dbraw/zinc/76/49/60/562764960.db2.gz LZRMYYQDLQFCEK-LFINAOHFSA-N 1 1 728.809 7.006 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566519 562765087 /nfs/dbraw/zinc/76/50/87/562765087.db2.gz OFYJPRSBIVOGOZ-GVNDJSPXSA-N 1 1 666.663 6.649 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000095566897 562765360 /nfs/dbraw/zinc/76/53/60/562765360.db2.gz IBQRWOHUAXROCR-GJBCSVNNSA-N 1 1 612.010 6.564 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567102 562765560 /nfs/dbraw/zinc/76/55/60/562765560.db2.gz ORTMWWQHMCADOR-WEVAMHJFSA-N 1 1 741.178 7.375 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567413 562765806 /nfs/dbraw/zinc/76/58/06/562765806.db2.gz BTOKSVPFEBLMIX-SGQICDRISA-N 1 1 712.719 6.384 1 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095567487 562765885 /nfs/dbraw/zinc/76/58/85/562765885.db2.gz KPWIEHUIZOJQLP-ISVMRZDUSA-N 1 1 680.806 5.526 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567568 562765897 /nfs/dbraw/zinc/76/58/97/562765897.db2.gz UGALTWQJAJNGEN-IOAOZTLTSA-N 1 1 720.292 5.256 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095567657 562765968 /nfs/dbraw/zinc/76/59/68/562765968.db2.gz DYCZSMLKMCKUPF-ULQPQYINSA-N 1 1 597.800 6.153 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567787 562766062 /nfs/dbraw/zinc/76/60/62/562766062.db2.gz ZNTPGUKYHQEGJK-AZAGJHQNSA-N 1 1 640.756 6.543 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567896 562766205 /nfs/dbraw/zinc/76/62/05/562766205.db2.gz XVJMWCXMALPRRA-AWYDNWMNSA-N 1 1 661.796 5.700 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095568401 562766622 /nfs/dbraw/zinc/76/66/22/562766622.db2.gz SIHGKWCNYKQFFR-PEFAJXDASA-N 1 1 652.748 6.204 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568431 562766634 /nfs/dbraw/zinc/76/66/34/562766634.db2.gz VYACBIYDVUCBDQ-DIBPYXDISA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568497 562766682 /nfs/dbraw/zinc/76/66/82/562766682.db2.gz RKBLFXPXPCVUTN-AZAGJHQNSA-N 1 1 662.252 6.089 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568459 562766700 /nfs/dbraw/zinc/76/67/00/562766700.db2.gz HCIBUZGQUWCBJD-UZINWLIJSA-N 1 1 564.752 5.281 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095568479 562766709 /nfs/dbraw/zinc/76/67/09/562766709.db2.gz PKQAAOKAAVIVOG-KZFQQWRHSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568616 562766788 /nfs/dbraw/zinc/76/67/88/562766788.db2.gz STCNQGKHPZHYJD-XIWHWFKQSA-N 1 1 711.826 6.096 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569155 562767217 /nfs/dbraw/zinc/76/72/17/562767217.db2.gz VWCVFDWYUIZVLY-SNCSJZQCSA-N 1 1 676.736 7.494 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569248 562767284 /nfs/dbraw/zinc/76/72/84/562767284.db2.gz HCIBUZGQUWCBJD-LZCXECNNSA-N 1 1 564.752 5.281 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095569469 562767442 /nfs/dbraw/zinc/76/74/42/562767442.db2.gz YUYBEPSVBUXRNH-OVDHPMSYSA-N 1 1 715.719 7.574 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095569532 562767515 /nfs/dbraw/zinc/76/75/15/562767515.db2.gz XHCFGJIATIGRMD-SQJKUQPUSA-N 1 1 650.780 5.517 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569633 562767574 /nfs/dbraw/zinc/76/75/74/562767574.db2.gz UQRVVYXDOOLUAO-VBEKBXFHSA-N 1 1 723.830 6.573 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095569719 562767608 /nfs/dbraw/zinc/76/76/08/562767608.db2.gz IXNRSUPNSZLJQC-QKPBDYBRSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569717 562767626 /nfs/dbraw/zinc/76/76/26/562767626.db2.gz YUKCNNACWFASQX-TWUWCHPWSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569753 562767645 /nfs/dbraw/zinc/76/76/45/562767645.db2.gz COMNYNDDKBVPKX-NPKFRGRUSA-N 1 1 598.571 5.456 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569759 562767648 /nfs/dbraw/zinc/76/76/48/562767648.db2.gz GFRGPEHDGBPCHF-YKKXUYLKSA-N 1 1 748.075 6.724 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095569747 562767660 /nfs/dbraw/zinc/76/76/60/562767660.db2.gz FDDMFJKLVOMWML-WEVAMHJFSA-N 1 1 703.683 7.704 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569913 562767778 /nfs/dbraw/zinc/76/77/78/562767778.db2.gz RIKKTKCVINKHQI-NIAOJTHTSA-N 1 1 667.556 6.937 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570069 562767915 /nfs/dbraw/zinc/76/79/15/562767915.db2.gz DVNKZOFDASKPOO-ZORUDCLVSA-N 1 1 806.426 6.903 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570150 562767941 /nfs/dbraw/zinc/76/79/41/562767941.db2.gz JQYQEVXVIORBSR-YJRLZVGASA-N 1 1 635.592 7.143 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095570136 562767994 /nfs/dbraw/zinc/76/79/94/562767994.db2.gz HTBVGGFTFZKUKZ-CURJATOHSA-N 1 1 651.635 5.947 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095570241 562768049 /nfs/dbraw/zinc/76/80/49/562768049.db2.gz ZZFLVVQZHZTAAM-OSESMHQUSA-N 1 1 666.860 6.367 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570400 562768190 /nfs/dbraw/zinc/76/81/90/562768190.db2.gz IVGISJLMDFIDFY-FYQCMVGJSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570514 562768271 /nfs/dbraw/zinc/76/82/71/562768271.db2.gz PWTWTDDNXRGKGX-WTBTXGFSSA-N 1 1 676.736 7.494 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095570823 562768573 /nfs/dbraw/zinc/76/85/73/562768573.db2.gz DYCZSMLKMCKUPF-RYOMNGFGSA-N 1 1 597.800 6.153 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571001 562768663 /nfs/dbraw/zinc/76/86/63/562768663.db2.gz KPNIWBUOMWGGPJ-FXZPAHAQSA-N 1 1 698.692 6.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571549 562769128 /nfs/dbraw/zinc/76/91/28/562769128.db2.gz NKYSZIASVRRVQA-FCUWZOGCSA-N 1 1 705.900 6.816 1 0 KKAFMO C[S@@](=O)(=NC(=O)C[NH2+]C1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000095572444 562769434 /nfs/dbraw/zinc/76/94/34/562769434.db2.gz WNGUVVOPYXLYDH-KDXMTYKHSA-N 1 1 588.517 5.409 1 0 KKAFMO C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5nc(-c6ccccc6)c[nH]5)c4)cccc3[nH+]2)C[C@H](C)O1 ZINC000095574406 562769979 /nfs/dbraw/zinc/76/99/79/562769979.db2.gz KUPFPZOAOUKIHE-BGYRXZFFSA-N 1 1 510.041 7.303 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000095578065 562771192 /nfs/dbraw/zinc/77/11/92/562771192.db2.gz ZZANZGQVTYIQHJ-RJKGWOMYSA-N 1 1 605.178 7.464 1 0 KKAFMO C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000095586130 562773795 /nfs/dbraw/zinc/77/37/95/562773795.db2.gz YHAYNOOYIAKTDL-HCHQQDLUSA-N 1 1 562.758 5.062 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)C)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095587387 562774287 /nfs/dbraw/zinc/77/42/87/562774287.db2.gz MDYFKHRXLNMCBC-UHFFFAOYSA-N 1 1 576.019 7.093 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)CC[N@@H+](CCc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095590488 562775271 /nfs/dbraw/zinc/77/52/71/562775271.db2.gz JFTHETYASCLEPQ-UHFFFAOYSA-N 1 1 733.862 6.609 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591344 562775596 /nfs/dbraw/zinc/77/55/96/562775596.db2.gz ISUMZRKRZDJHAN-UHFFFAOYSA-N 1 1 527.624 6.499 1 0 KKAFMO Cn1cc(-c2ccc(CN3c4ccccc4[C@@]4(CC[N@H+](C5CCCC5)C4)C3=O)c(F)c2)c(C(F)(F)F)n1 ZINC000095592079 562775806 /nfs/dbraw/zinc/77/58/06/562775806.db2.gz YLLKPXACGBRZJC-MHZLTWQESA-N 1 1 512.551 5.678 1 0 KKAFMO O=C(N[C@H](C(=O)Nc1cc([C@H](CO)[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095595646 562776790 /nfs/dbraw/zinc/77/67/90/562776790.db2.gz LKLJXPROGULUMH-PXLJZGITSA-N 1 1 613.714 6.347 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CCC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095595901 562776842 /nfs/dbraw/zinc/77/68/42/562776842.db2.gz IOXSETITQBUCMZ-JOCHJYFZSA-N 1 1 532.637 5.508 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)Cc4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095596358 562776941 /nfs/dbraw/zinc/77/69/41/562776941.db2.gz SMKXLUTVBCCMDY-UHFFFAOYSA-N 1 1 540.660 6.469 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)C(C)(C)C)c(C)c3oc2=O)ccc1O ZINC000095597499 562777230 /nfs/dbraw/zinc/77/72/30/562777230.db2.gz FZTJFNABBVIBFQ-UHFFFAOYSA-N 1 1 506.643 6.067 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095598906 562777595 /nfs/dbraw/zinc/77/75/95/562777595.db2.gz RXIJSVCALBVVES-QZCKSCMDSA-N 1 1 706.733 6.722 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095598935 562777629 /nfs/dbraw/zinc/77/76/29/562777629.db2.gz LZRMYYQDLQFCEK-YUAZXLJXSA-N 1 1 728.809 7.006 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000095599008 562777711 /nfs/dbraw/zinc/77/77/11/562777711.db2.gz GGITXPBQMSFSBS-SPWOZAQASA-N 1 1 698.059 6.822 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599325 562778000 /nfs/dbraw/zinc/77/80/00/562778000.db2.gz RBOAJFBNHJWMOW-GHVZQYPWSA-N 1 1 684.800 7.277 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095600145 562778614 /nfs/dbraw/zinc/77/86/14/562778614.db2.gz ZIZWTQGIFKHADQ-GTNJKRJXSA-N 1 1 620.599 5.455 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095600145 562778615 /nfs/dbraw/zinc/77/86/15/562778615.db2.gz ZIZWTQGIFKHADQ-GTNJKRJXSA-N 1 1 620.599 5.455 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@@H](C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095600444 562778907 /nfs/dbraw/zinc/77/89/07/562778907.db2.gz XZKSGWSUUNDQRD-QLODZENZSA-N 1 1 604.535 5.594 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600521 562778972 /nfs/dbraw/zinc/77/89/72/562778972.db2.gz RIKKTKCVINKHQI-IKDMDFKBSA-N 1 1 667.556 6.937 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095600616 562779042 /nfs/dbraw/zinc/77/90/42/562779042.db2.gz VLABVJXETLVVIO-BXOOBUKZSA-N 1 1 554.707 5.131 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095600621 562779078 /nfs/dbraw/zinc/77/90/78/562779078.db2.gz KBDYTXJNXXZTGD-NCLPYWGKSA-N 1 1 587.742 5.442 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600706 562779132 /nfs/dbraw/zinc/77/91/32/562779132.db2.gz ORTMWWQHMCADOR-ZCKQCUHLSA-N 1 1 741.178 7.375 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095601000 562779439 /nfs/dbraw/zinc/77/94/39/562779439.db2.gz RKFPRZNLXVJUNG-DOBRQBTGSA-N 1 1 627.807 5.815 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601294 562779554 /nfs/dbraw/zinc/77/95/54/562779554.db2.gz LFZLAWVTNRSJHJ-MCYUDXQTSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095601718 562779724 /nfs/dbraw/zinc/77/97/24/562779724.db2.gz BYUWMZXSAAGXAD-ASHZAFPQSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095601718 562779725 /nfs/dbraw/zinc/77/97/25/562779725.db2.gz BYUWMZXSAAGXAD-ASHZAFPQSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601690 562779748 /nfs/dbraw/zinc/77/97/48/562779748.db2.gz XJOPVLQFFGEWNL-HFZPWKHCSA-N 1 1 597.678 5.168 1 0 KKAFMO O=C(Nc1cccc(Nc2[nH]c3ccccc3[nH+]2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000095602258 562780008 /nfs/dbraw/zinc/78/00/08/562780008.db2.gz VMWATGHIKLTNHD-UHFFFAOYSA-N 1 1 574.729 6.695 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095602401 562780062 /nfs/dbraw/zinc/78/00/62/562780062.db2.gz QMCFBRPLMVFDBX-SUCLBKFRSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603067 562780337 /nfs/dbraw/zinc/78/03/37/562780337.db2.gz RBOAJFBNHJWMOW-NSWWAWACSA-N 1 1 684.800 7.277 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095603451 562780569 /nfs/dbraw/zinc/78/05/69/562780569.db2.gz DKFJGYQTLBOWCX-OVMXQCPESA-N 1 1 558.723 5.493 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095603452 562780574 /nfs/dbraw/zinc/78/05/74/562780574.db2.gz QDRBVCQGVAHXBS-WTBTXGFSSA-N 1 1 641.813 5.392 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095603736 562780675 /nfs/dbraw/zinc/78/06/75/562780675.db2.gz RZBAHHBRQVWZMS-UGIZIUIESA-N 1 1 617.790 7.128 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781204 /nfs/dbraw/zinc/78/12/04/562781204.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N 1 1 655.044 5.729 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604916 562781248 /nfs/dbraw/zinc/78/12/48/562781248.db2.gz UIKXZKCHSBRXDR-GAIIXZKLSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095605706 562781684 /nfs/dbraw/zinc/78/16/84/562781684.db2.gz DFSBUGSUDBGGAL-OXYPMYLPSA-N 1 1 611.705 5.916 1 0 KKAFMO COc1ccccc1CN1CCN(c2nc(-n3nc(-c4cc(OC)c(OC)c(OC)c4)cc3SC)nc(N3CC[NH+](Cc4ccccc4OC)CC3)n2)CC1 ZINC000095606746 562782360 /nfs/dbraw/zinc/78/23/60/562782360.db2.gz SOVWSHBGTDRTMG-UHFFFAOYSA-N 1 1 767.957 5.134 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(C[NH3+])c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095607595 562782888 /nfs/dbraw/zinc/78/28/88/562782888.db2.gz KJSWDFIBFZJKOY-TWNSHOTESA-N 1 1 589.800 5.486 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](CN2CCC(c3cc(Cc4cccc(C[NH3+])c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095607595 562782889 /nfs/dbraw/zinc/78/28/89/562782889.db2.gz KJSWDFIBFZJKOY-TWNSHOTESA-N 1 1 589.800 5.486 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666743 562788293 /nfs/dbraw/zinc/78/82/93/562788293.db2.gz TYIUHSCZBUSREW-MWXNICTNSA-N 1 1 594.583 6.642 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@@H]2C)cc1 ZINC000095691993 562788469 /nfs/dbraw/zinc/78/84/69/562788469.db2.gz AXRPYCYFPRGHTO-SYZUXVNWSA-N 1 1 602.757 5.563 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1ccnc2cc(SC(F)(F)F)ccc21 ZINC000095696508 562788500 /nfs/dbraw/zinc/78/85/00/562788500.db2.gz ZSHCWNWXGBPSSN-UHFFFAOYSA-N 1 1 552.622 6.569 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095703161 562788632 /nfs/dbraw/zinc/78/86/32/562788632.db2.gz KBDYTXJNXXZTGD-VJQVOXFUSA-N 1 1 587.742 5.442 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095823520 562789332 /nfs/dbraw/zinc/78/93/32/562789332.db2.gz BTKKALCSURFCKW-JWUQWVJQSA-N 1 1 633.733 5.096 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095836372 562789442 /nfs/dbraw/zinc/78/94/42/562789442.db2.gz OMPYFAIFRLVIFJ-SFOWLQBLSA-N 1 1 621.741 5.895 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095838539 562789451 /nfs/dbraw/zinc/78/94/51/562789451.db2.gz NTYNVBJJDZWMGX-UNVFRBQDSA-N 1 1 585.627 5.097 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095865313 562789735 /nfs/dbraw/zinc/78/97/35/562789735.db2.gz CRAILXCFJDOKOF-ULQPQYINSA-N 1 1 548.727 6.511 1 0 KKAFMO COc1cccc(C[N@@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@H]2C)c1 ZINC000095864787 562789777 /nfs/dbraw/zinc/78/97/77/562789777.db2.gz DIYZUOHLOSFTTI-OVMXQCPESA-N 1 1 555.719 5.344 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869056 562789901 /nfs/dbraw/zinc/78/99/01/562789901.db2.gz TYIUHSCZBUSREW-VDZJOXJSSA-N 1 1 594.583 6.642 1 0 KKAFMO Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CC[NH+]4CCCC4)cc3)nc12 ZINC000096167828 562790654 /nfs/dbraw/zinc/79/06/54/562790654.db2.gz XBEFVUUWBLUYLM-UHFFFAOYSA-N 1 1 587.533 5.473 1 0 KKAFMO CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169823 562790854 /nfs/dbraw/zinc/79/08/54/562790854.db2.gz ICGXSNLREWIACC-UHFFFAOYSA-N 1 1 573.641 5.003 1 0 KKAFMO CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CCS(C)(=O)=O)CC4)nc12 ZINC000096169823 562790855 /nfs/dbraw/zinc/79/08/55/562790855.db2.gz ICGXSNLREWIACC-UHFFFAOYSA-N 1 1 573.641 5.003 1 0 KKAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1 ZINC000096174207 562791794 /nfs/dbraw/zinc/79/17/94/562791794.db2.gz AJLWDJDWMFJLHM-BHVANESWSA-N 1 1 649.702 5.310 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[C@@](C)([NH+]4CCOCC4)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000096175697 562791860 /nfs/dbraw/zinc/79/18/60/562791860.db2.gz RXAYLQORAOLTTD-BKQYKDOASA-N 1 1 601.113 6.242 1 0 KKAFMO Cc1[nH]nc2cc(Nc3cc(C)c(C4CC[NH2+]CC4)cc3OC(C)C)cc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177912 562792479 /nfs/dbraw/zinc/79/24/79/562792479.db2.gz BPJUCNWOCKWARO-UHFFFAOYSA-N 1 1 575.779 7.103 1 0 KKAFMO C[C@@H](Oc1c[nH]c(=O)c(-c2nc3ccc(N4CC[NH+](C)CC4)cc3[nH]2)c1)c1c(Cl)ccc(F)c1Cl ZINC000096258128 562792837 /nfs/dbraw/zinc/79/28/37/562792837.db2.gz OMVKEJJVHSVCLF-CQSZACIVSA-N 1 1 516.404 5.256 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096285106 562795475 /nfs/dbraw/zinc/79/54/75/562795475.db2.gz NGTAHWHMGVUEDB-UHFFFAOYSA-N 1 1 621.713 6.505 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302087 562796308 /nfs/dbraw/zinc/79/63/08/562796308.db2.gz AYQPUUZHDGKDRB-KLTPPHAJSA-N 1 1 576.757 5.733 1 0 KKAFMO CC(C)c1ccc(CC[N@H+]2CC[C@@]3(C)c4cc(OC(=O)Nc5ccc(C(C)C)cc5)ccc4N(C)[C@@H]23)cc1 ZINC000096315974 562796471 /nfs/dbraw/zinc/79/64/71/562796471.db2.gz QPCSBYIUPJATOY-WEZIJMHWSA-N 1 1 511.710 7.526 1 0 KKAFMO CCN(CC)CC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3c(NCCC[NH+](C)C)n2)cc1 ZINC000096908901 562799461 /nfs/dbraw/zinc/79/94/61/562799461.db2.gz YVXJMSXEGQTEBP-UHFFFAOYSA-N 1 1 553.711 5.193 1 0 KKAFMO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909816 562799781 /nfs/dbraw/zinc/79/97/81/562799781.db2.gz ZGPROTVBDDFDQH-NRFANRHFSA-N 1 1 517.427 5.044 1 0 KKAFMO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909806 562799785 /nfs/dbraw/zinc/79/97/85/562799785.db2.gz SYXAHSDAHIOHSU-QHCPKHFHSA-N 1 1 545.481 5.824 1 0 KKAFMO Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910122 562799858 /nfs/dbraw/zinc/79/98/58/562799858.db2.gz ALWMMJFIFPMQPS-WXVAWEFUSA-N 1 1 503.643 5.164 1 0 KKAFMO C[C@H](CCC(=O)N(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N5CC[NH+](C)CC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096910764 562800062 /nfs/dbraw/zinc/80/00/62/562800062.db2.gz UXMYAJCZSYCVQI-XJGPRUKRSA-N 1 1 527.794 5.823 1 0 KKAFMO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)C1CCCCC1 ZINC000096926976 562802527 /nfs/dbraw/zinc/80/25/27/562802527.db2.gz RKVBMXRHLVVGSC-OOTBGRMCSA-N 1 1 628.858 6.460 1 0 KKAFMO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)C1CCCCC1 ZINC000096926976 562802528 /nfs/dbraw/zinc/80/25/28/562802528.db2.gz RKVBMXRHLVVGSC-OOTBGRMCSA-N 1 1 628.858 6.460 1 0 KKAFMO O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1F ZINC000096930103 562803178 /nfs/dbraw/zinc/80/31/78/562803178.db2.gz LKJBUJFTLCNRBY-YTTGMZPUSA-N 1 1 594.666 5.143 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096932299 562803333 /nfs/dbraw/zinc/80/33/33/562803333.db2.gz NJOWRKQMWSBOGC-UHFFFAOYSA-N 1 1 623.685 6.294 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Br)cc1 ZINC000096939388 562804722 /nfs/dbraw/zinc/80/47/22/562804722.db2.gz NPWKFVGMLLDHKU-AREMUKBSSA-N 1 1 643.957 6.196 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccc(Cl)cc1 ZINC000096939390 562804737 /nfs/dbraw/zinc/80/47/37/562804737.db2.gz NKPNQEOGFCIQAF-AREMUKBSSA-N 1 1 599.506 6.087 1 0 KKAFMO CC(C)[NH+]1CCN([C@H]2CC[C@@](NC(=O)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916025 562808517 /nfs/dbraw/zinc/80/85/17/562808517.db2.gz QUXYPYOPGAKDPS-RSYZWFLXSA-N 1 1 569.634 6.808 1 0 KKAFMO COc1cccc(NC(=O)N(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 ZINC000101138207 562809412 /nfs/dbraw/zinc/80/94/12/562809412.db2.gz SMSRZWPUWULUBO-UQWUFBTJSA-N 1 1 516.690 6.015 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141161 562809425 /nfs/dbraw/zinc/80/94/25/562809425.db2.gz RCVHDPWYXTVRFR-LAKWIPNFSA-N 1 1 554.488 5.786 1 0 KKAFMO Cc1nc(C(C)C)n([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101176995 562809660 /nfs/dbraw/zinc/80/96/60/562809660.db2.gz PTUIAFZYMVYAII-QYOOZWMWSA-N 1 1 513.677 5.951 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)s2)CC1 ZINC000101193594 562809911 /nfs/dbraw/zinc/80/99/11/562809911.db2.gz QBGFOGSWODCRIX-XDZDDBEASA-N 1 1 603.232 7.477 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)s2)CC1 ZINC000101193594 562809912 /nfs/dbraw/zinc/80/99/12/562809912.db2.gz QBGFOGSWODCRIX-XDZDDBEASA-N 1 1 603.232 7.477 1 0 KKAFMO CNC(=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 ZINC000101511141 562811159 /nfs/dbraw/zinc/81/11/59/562811159.db2.gz PQNRXPGROMBFLT-IJGRWTRYSA-N 1 1 611.781 6.702 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCC[N@@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645508 562811523 /nfs/dbraw/zinc/81/15/23/562811523.db2.gz BGWJXKZYWIIMQN-FGZHOGPDSA-N 1 1 544.614 6.139 1 0 KKAFMO COc1ccc(C[C@H]2CC(=O)N(c3ccccc3C(=O)OC[C@H]3CCC[N@@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000101645546 562811562 /nfs/dbraw/zinc/81/15/62/562811562.db2.gz UNYHZMFOWCLOMI-NSOVKSMOSA-N 1 1 554.687 5.319 1 0 KKAFMO C[N@H+]1CCCN(C(=O)COc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696113 562811783 /nfs/dbraw/zinc/81/17/83/562811783.db2.gz OXIZESITNKSRTL-UHFFFAOYSA-N 1 1 583.710 5.207 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@@H+]5[C@H]23)C4)N1 ZINC000101892973 562812335 /nfs/dbraw/zinc/81/23/35/562812335.db2.gz BQIVPPWUXSHORF-PZZBLJSHSA-N 1 1 610.843 5.579 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@H+]5[C@H]23)C4)N1 ZINC000101892973 562812336 /nfs/dbraw/zinc/81/23/36/562812336.db2.gz BQIVPPWUXSHORF-PZZBLJSHSA-N 1 1 610.843 5.579 1 0 KKAFMO COc1cc(CCC(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806985 562813312 /nfs/dbraw/zinc/81/33/12/562813312.db2.gz JXCYICKXOWATCA-DUOCIXOMSA-N 1 1 643.774 5.625 1 0 KKAFMO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135132 562814416 /nfs/dbraw/zinc/81/44/16/562814416.db2.gz ZGPROTVBDDFDQH-OAQYLSRUSA-N 1 1 517.427 5.044 1 0 KKAFMO CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225467 562817714 /nfs/dbraw/zinc/81/77/14/562817714.db2.gz OWOZPIGYQRDQRB-HSZRJFAPSA-N 1 1 500.565 5.335 1 0 KKAFMO CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225467 562817715 /nfs/dbraw/zinc/81/77/15/562817715.db2.gz OWOZPIGYQRDQRB-HSZRJFAPSA-N 1 1 500.565 5.335 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225795 562817787 /nfs/dbraw/zinc/81/77/87/562817787.db2.gz GHBCBQSQGDNBNN-QODLHPCFSA-N 1 1 542.749 5.839 1 0 KKAFMO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)cc(OC)c2OC)ccc1C(C)=O ZINC000103228619 562817998 /nfs/dbraw/zinc/81/79/98/562817998.db2.gz ILQUOUXLZAXLDK-UHFFFAOYSA-N 1 1 563.651 5.327 1 0 KKAFMO C[C@@H](C[NH+](C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229644 562818077 /nfs/dbraw/zinc/81/80/77/562818077.db2.gz VWZHXQMQXIFFGW-HNNXBMFYSA-N 1 1 562.001 5.567 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103234833 562818690 /nfs/dbraw/zinc/81/86/90/562818690.db2.gz OYKWKRULMOLOFA-GPOLMCQNSA-N 1 1 597.631 8.178 1 0 KKAFMO CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\C[NH+]1CCOCC1 ZINC000103240945 562819497 /nfs/dbraw/zinc/81/94/97/562819497.db2.gz YAQBSDKQKZYWDQ-JRFUHKICSA-N 1 1 568.780 5.929 1 0 KKAFMO O=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3c[nH+]ccc3N3CCC4(COC4)CC3)cc1)CC2 ZINC000103251134 562820328 /nfs/dbraw/zinc/82/03/28/562820328.db2.gz LUGKHRPLTZWQCD-UHFFFAOYSA-N 1 1 633.774 5.774 1 0 KKAFMO Cc1ccc(CN2C[C@H]3CC[N@H+](C)[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264955 562822056 /nfs/dbraw/zinc/82/20/56/562822056.db2.gz BMOJETYKOWBJNF-PDDLMNHVSA-N 1 1 616.688 6.791 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000114099032 562827610 /nfs/dbraw/zinc/82/76/10/562827610.db2.gz IHASKOROCFKNKB-OAQYLSRUSA-N 1 1 541.010 5.907 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000114099134 562827616 /nfs/dbraw/zinc/82/76/16/562827616.db2.gz AXULDDIUSDCLAU-RUZDIDTESA-N 1 1 526.121 5.390 1 0 KKAFMO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[NH+]4CCN(C)CC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114754066 562828443 /nfs/dbraw/zinc/82/84/43/562828443.db2.gz OYYKFTMPIAGPIG-UHFFFAOYSA-N 1 1 564.694 5.282 1 0 KKAFMO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1)c1cccs1 ZINC000114983515 562828707 /nfs/dbraw/zinc/82/87/07/562828707.db2.gz DVQRBUZCOFJFNO-HHHXNRCGSA-N 1 1 552.121 6.698 1 0 KKAFMO C[NH2+][C@@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115944063 562829097 /nfs/dbraw/zinc/82/90/97/562829097.db2.gz UIKHYQLSZPHCKO-VWLOTQADSA-N 1 1 581.069 6.310 1 0 KKAFMO COc1cc2c(cc1OC)CN(CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000136985572 562831327 /nfs/dbraw/zinc/83/13/27/562831327.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 1 1 611.827 5.717 1 0 KKAFMO COc1cc2c(cc1OC)CN(CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000136985572 562831328 /nfs/dbraw/zinc/83/13/28/562831328.db2.gz MIVHPDORSIATDU-IDSQRVKXSA-N 1 1 611.827 5.717 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[N@@H+]2CC[C@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960999 562832271 /nfs/dbraw/zinc/83/22/71/562832271.db2.gz PANUCCHSDROJBK-YZNIXAGQSA-N 1 1 533.680 5.466 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[N@H+]2CC[C@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960999 562832272 /nfs/dbraw/zinc/83/22/72/562832272.db2.gz PANUCCHSDROJBK-YZNIXAGQSA-N 1 1 533.680 5.466 1 0 KKAFMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)CC1 ZINC000140652397 562833222 /nfs/dbraw/zinc/83/32/22/562833222.db2.gz ZWZSOHBMOTYKFF-QHCPKHFHSA-N 1 1 524.725 5.205 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@H+](C2CCCC2)C1 ZINC000140843975 562833329 /nfs/dbraw/zinc/83/33/29/562833329.db2.gz WXDZHXSCSPJUOV-DEOSSOPVSA-N 1 1 514.510 6.397 1 0 KKAFMO c1ccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5ccccc5Nc5ccccc5-6)cc4)CC3)n[nH]2)nc1 ZINC000142469204 562834232 /nfs/dbraw/zinc/83/42/32/562834232.db2.gz QCXQSBCEUROTJK-UHFFFAOYSA-N 1 1 551.658 6.218 1 0 KKAFMO c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5ccccc5Nc5ccccc5-6)cc4)CC3)n2)nc1 ZINC000142469204 562834233 /nfs/dbraw/zinc/83/42/33/562834233.db2.gz QCXQSBCEUROTJK-UHFFFAOYSA-N 1 1 551.658 6.218 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@H](C)O1 ZINC000143412717 562834981 /nfs/dbraw/zinc/83/49/81/562834981.db2.gz JOCNOQUWDPPPRY-LYWAIKEGSA-N 1 1 504.634 5.720 1 0 KKAFMO Cc1[nH+]ccn1C[C@@H]1CCCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143491414 562835097 /nfs/dbraw/zinc/83/50/97/562835097.db2.gz CXTIWLCOTVFCBI-JTQLQIEISA-N 1 1 610.974 6.034 1 0 KKAFMO CCc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978164 562837913 /nfs/dbraw/zinc/83/79/13/562837913.db2.gz FNCQKBUUNUZWGP-FQEVSTJZSA-N 1 1 553.585 5.547 1 0 KKAFMO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)c(Nc3ncc(Cl)c(Oc4cccc5c4C(=O)N(C)[C@H]5C)n3)cc2F)[C@H](F)C1 ZINC000146057868 562838055 /nfs/dbraw/zinc/83/80/55/562838055.db2.gz NNOVURDJSCRJTF-RVHYNSKXSA-N 1 1 601.054 5.122 1 0 KKAFMO CC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(Nc3ncc(Cl)c(Oc4cccc5c4C(=O)N(C)[C@H]5C)n3)cc2F)[C@H](F)C1 ZINC000146057868 562838056 /nfs/dbraw/zinc/83/80/56/562838056.db2.gz NNOVURDJSCRJTF-RVHYNSKXSA-N 1 1 601.054 5.122 1 0 KKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872560 562838897 /nfs/dbraw/zinc/83/88/97/562838897.db2.gz IYBGHBZUXSMOKI-QVWIZILWSA-N 1 1 506.650 6.115 1 0 KKAFMO Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000146945036 562838919 /nfs/dbraw/zinc/83/89/19/562838919.db2.gz RPKWQQFQJOCDPR-UHFFFAOYSA-N 1 1 630.675 5.145 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](C)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000147803409 562839650 /nfs/dbraw/zinc/83/96/50/562839650.db2.gz XHJJHNGHPPIVQT-APWZRJJASA-N 1 1 530.629 5.023 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@H](C)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nsnc5c4)c3c2)C1 ZINC000147803409 562839651 /nfs/dbraw/zinc/83/96/51/562839651.db2.gz XHJJHNGHPPIVQT-APWZRJJASA-N 1 1 530.629 5.023 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCC[N@@H+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148076967 562840122 /nfs/dbraw/zinc/84/01/22/562840122.db2.gz XDYXHQKLEWICPS-UHFFFAOYSA-N 1 1 620.558 5.604 1 0 KKAFMO COc1ccc(C)cc1C[N@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148821432 562841829 /nfs/dbraw/zinc/84/18/29/562841829.db2.gz UVFGVILYSLAPSS-QFIPXVFZSA-N 1 1 501.067 5.325 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148866934 562841911 /nfs/dbraw/zinc/84/19/11/562841911.db2.gz PRZQQYWZXJSACG-SANMLTNESA-N 1 1 508.106 6.054 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148921886 562841974 /nfs/dbraw/zinc/84/19/74/562841974.db2.gz NYZQNXXCSARADX-QFIPXVFZSA-N 1 1 532.031 5.735 1 0 KKAFMO Cc1c(C(=O)NC2CCN(C(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5C)[C@H]3O7)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000150557189 562844770 /nfs/dbraw/zinc/84/47/70/562844770.db2.gz PAHRRUIOSCCOPA-CODNDXGISA-N 1 1 864.227 5.220 1 0 KKAFMO CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@H]6C[C@]7(CC)C=CCN8Cc9c(n6c6ccccc6c9=O)[C@@H]87)c(OC)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150593881 562846432 /nfs/dbraw/zinc/84/64/32/562846432.db2.gz BCRQAUJZDLCSKQ-CENAIEAJSA-N 1 1 656.827 6.361 1 0 KKAFMO COc1ccc(C(OC(=O)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150600930 562847204 /nfs/dbraw/zinc/84/72/04/562847204.db2.gz NTQAMCUPIBQLDW-QWIAXYRQSA-N 1 1 701.857 7.626 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 ZINC000150617845 562848840 /nfs/dbraw/zinc/84/88/40/562848840.db2.gz UGLVIKJMMLMSFT-CYFDYVNOSA-N 1 1 643.829 6.000 1 0 KKAFMO Brc1ccc2c(c1)-c1nnc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)n1-c1cccnc1N2 ZINC000163986689 562849534 /nfs/dbraw/zinc/84/95/34/562849534.db2.gz MSXLHWBXRFPWGL-UHFFFAOYSA-N 1 1 631.542 6.376 1 0 KKAFMO Brc1ccc2c(c1)-c1nnc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)n1-c1cccnc1N2 ZINC000163986689 562849535 /nfs/dbraw/zinc/84/95/35/562849535.db2.gz MSXLHWBXRFPWGL-UHFFFAOYSA-N 1 1 631.542 6.376 1 0 KKAFMO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)cs1 ZINC000166491177 562850473 /nfs/dbraw/zinc/85/04/73/562850473.db2.gz AYGAUWOIVRTSOY-JFAUGGILSA-N 1 1 656.828 6.098 1 0 KKAFMO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@H+]5C[C@@H](C)N[C@@H](C)C5)cc4)c3)CC2)cs1 ZINC000166491177 562850474 /nfs/dbraw/zinc/85/04/74/562850474.db2.gz AYGAUWOIVRTSOY-JFAUGGILSA-N 1 1 656.828 6.098 1 0 KKAFMO CC(C)Oc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c1 ZINC000169291776 562851950 /nfs/dbraw/zinc/85/19/50/562851950.db2.gz XFGAMXRGEXNRGE-WXHXINMQSA-N 1 1 536.760 7.048 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293795 562852124 /nfs/dbraw/zinc/85/21/24/562852124.db2.gz AEXUFSNLZAPTED-NOZRDPDXSA-N 1 1 540.717 6.402 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293939 562852154 /nfs/dbraw/zinc/85/21/54/562852154.db2.gz YULHSCHRHAVYAX-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293939 562852156 /nfs/dbraw/zinc/85/21/56/562852156.db2.gz YULHSCHRHAVYAX-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293938 562852165 /nfs/dbraw/zinc/85/21/65/562852165.db2.gz YULHSCHRHAVYAX-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293938 562852167 /nfs/dbraw/zinc/85/21/67/562852167.db2.gz YULHSCHRHAVYAX-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO CC[C@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319054 562856139 /nfs/dbraw/zinc/85/61/39/562856139.db2.gz KDMFAGDJSAXTOU-ZLSIYFNSSA-N 1 1 590.884 5.037 1 0 KKAFMO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3C(F)(F)F)CC2)c1 ZINC000169321685 562856719 /nfs/dbraw/zinc/85/67/19/562856719.db2.gz QOZMPMPIYLYDRE-UHFFFAOYSA-N 1 1 614.643 7.752 1 0 KKAFMO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc([O-])c(Cl)c3)CC2)ccc1O ZINC000169323321 562856999 /nfs/dbraw/zinc/85/69/99/562856999.db2.gz NKHXRZSJUJKIDV-UMSFTDKQSA-N 1 1 703.302 6.466 1 0 KKAFMO COC(=O)C1=C(C)N(C)C(=O)N(C(=O)NCCCCNc2cc[nH+]c3cc(Cl)ccc23)[C@H]1c1ccc(OC)cc1 ZINC000169323737 562857110 /nfs/dbraw/zinc/85/71/10/562857110.db2.gz NYIWBRBYVTUQOT-SANMLTNESA-N 1 1 566.058 5.354 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3cccc(Cl)c3)n2)CC1 ZINC000169323769 562857116 /nfs/dbraw/zinc/85/71/16/562857116.db2.gz XSSNPINAQFWCRG-UHFFFAOYSA-N 1 1 572.504 6.709 1 0 KKAFMO Clc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)cc1 ZINC000169323783 562857164 /nfs/dbraw/zinc/85/71/64/562857164.db2.gz DRYJKYXRZCBBHQ-UHFFFAOYSA-N 1 1 616.557 7.092 1 0 KKAFMO CC(C)CCC[N@@H+](CCC(C)C)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336022 562859797 /nfs/dbraw/zinc/85/97/97/562859797.db2.gz WCYISUHZAVDJIH-QHCPKHFHSA-N 1 1 504.559 7.604 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000169344647 562861415 /nfs/dbraw/zinc/86/14/15/562861415.db2.gz AXFCKENUDNTMRB-UHFFFAOYSA-N 1 1 641.700 5.326 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000169344648 562861440 /nfs/dbraw/zinc/86/14/40/562861440.db2.gz WQROZMCEHXFGBY-UHFFFAOYSA-N 1 1 654.743 5.241 1 0 KKAFMO CCOC(=O)CCC(=O)Nc1cccc(CCC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346310 562861769 /nfs/dbraw/zinc/86/17/69/562861769.db2.gz FLUCPAWFRUKRIM-PTYIDMFESA-N 1 1 504.671 5.365 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350733 562862958 /nfs/dbraw/zinc/86/29/58/562862958.db2.gz GAOHMJDLFNCXGF-UHFFFAOYSA-N 1 1 657.674 5.522 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](CCc2ccccc2)C1=O ZINC000195449618 562871878 /nfs/dbraw/zinc/87/18/78/562871878.db2.gz LVWYTEIVGDGPOX-URLMMPGGSA-N 1 1 538.688 5.701 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423894 562874459 /nfs/dbraw/zinc/87/44/59/562874459.db2.gz KIYKQIDKJXPBAJ-JOCHJYFZSA-N 1 1 514.678 5.079 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@H]([N@@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422812 562874488 /nfs/dbraw/zinc/87/44/88/562874488.db2.gz VVYWQZGWGMFFKQ-AMGIVPHBSA-N 1 1 544.704 5.051 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000206289926 562876441 /nfs/dbraw/zinc/87/64/41/562876441.db2.gz ZSOHBIYTNTYVNQ-WRENHGGMSA-N 1 1 534.695 6.628 1 0 KKAFMO CCC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCC[NH+]4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3[C@@H](C1)C2 ZINC000210212801 562877011 /nfs/dbraw/zinc/87/70/11/562877011.db2.gz PGEVOJWBZHSHAR-UHSQPCAPSA-N 1 1 600.247 8.221 1 0 KKAFMO CC(C)(C)c1ccc(CC[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(OCCCCc5ccccc5)cc4F)ccc3C2)cc1 ZINC000216494487 562877469 /nfs/dbraw/zinc/87/74/69/562877469.db2.gz OCUNYJSVMZDBNU-UHFFFAOYSA-N 1 1 614.827 7.927 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnc(C)c(CC[NH+]2CCCC2)c1 ZINC000219344428 562878032 /nfs/dbraw/zinc/87/80/32/562878032.db2.gz INBKUQAZGFJIRU-UHFFFAOYSA-N 1 1 519.020 6.688 1 0 KKAFMO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000219384231 562878164 /nfs/dbraw/zinc/87/81/64/562878164.db2.gz LZBVJQGFUDIFPC-UHFFFAOYSA-N 1 1 507.968 6.937 1 0 KKAFMO CC(C)(C)c1ccc(CC[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000224836954 562880593 /nfs/dbraw/zinc/88/05/93/562880593.db2.gz ZCEZZOOCNDPJEZ-UHFFFAOYSA-N 1 1 592.821 7.874 1 0 KKAFMO C[C@H](CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299831716 562885702 /nfs/dbraw/zinc/88/57/02/562885702.db2.gz QNZJBIKFTZEOQR-GWCFYINNSA-N 1 1 534.829 6.767 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C[C@H]4CCC[N@@H+](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299835588 562886919 /nfs/dbraw/zinc/88/69/19/562886919.db2.gz WSZRNNLGVAOXKP-VWLOTQADSA-N 1 1 582.749 5.479 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCN(Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836392 562887173 /nfs/dbraw/zinc/88/71/73/562887173.db2.gz ZQMJKQGLBIJIRP-UMSFTDKQSA-N 1 1 575.797 7.185 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](C4CCN(Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836392 562887174 /nfs/dbraw/zinc/88/71/74/562887174.db2.gz ZQMJKQGLBIJIRP-UMSFTDKQSA-N 1 1 575.797 7.185 1 0 KKAFMO C[N@H+]1CCC[C@@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836562 562887267 /nfs/dbraw/zinc/88/72/67/562887267.db2.gz NPDBZGWDNRJYIQ-OAQYLSRUSA-N 1 1 542.647 6.610 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299839073 562888048 /nfs/dbraw/zinc/88/80/48/562888048.db2.gz PQSNRDVTULIWRQ-UHFFFAOYSA-N 1 1 767.656 6.905 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Br)c(=O)c3ccccc32)cc1F ZINC000299839533 562888212 /nfs/dbraw/zinc/88/82/12/562888212.db2.gz SKWYQXCVUAKCBP-UHFFFAOYSA-N 1 1 754.613 6.990 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c(=O)c3ccccc32)cc1F ZINC000299840681 562888615 /nfs/dbraw/zinc/88/86/15/562888615.db2.gz YMRRKOBNWNFHRC-UHFFFAOYSA-N 1 1 706.750 6.282 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@H+](Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 562891601 /nfs/dbraw/zinc/89/16/01/562891601.db2.gz DEYKOEXQQNSWIG-VWLOTQADSA-N 1 1 539.164 5.145 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 562891602 /nfs/dbraw/zinc/89/16/02/562891602.db2.gz DEYKOEXQQNSWIG-VWLOTQADSA-N 1 1 539.164 5.145 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 562891603 /nfs/dbraw/zinc/89/16/03/562891603.db2.gz DEYKOEXQQNSWIG-VWLOTQADSA-N 1 1 539.164 5.145 1 0 KKAFMO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299859786 562892836 /nfs/dbraw/zinc/89/28/36/562892836.db2.gz YNEOXSGSPJEFQN-UHFFFAOYSA-N 1 1 587.493 6.081 1 0 KKAFMO Cc1cc2ccc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2oc1=O ZINC000299861632 562893394 /nfs/dbraw/zinc/89/33/94/562893394.db2.gz LSWKLICEAUQVMA-UHFFFAOYSA-N 1 1 526.681 5.027 1 0 KKAFMO CN(C)[C@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867330 562894878 /nfs/dbraw/zinc/89/48/78/562894878.db2.gz QELXIUMTFWOZOW-SANMLTNESA-N 1 1 548.518 6.876 1 0 KKAFMO CN(C)[C@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867330 562894879 /nfs/dbraw/zinc/89/48/79/562894879.db2.gz QELXIUMTFWOZOW-SANMLTNESA-N 1 1 548.518 6.876 1 0 KKAFMO C[N@@H+]1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473082482 562896708 /nfs/dbraw/zinc/89/67/08/562896708.db2.gz IIUNRDLMIHCWET-GDLZYMKVSA-N 1 1 607.763 5.391 1 0 KKAFMO C[N@H+]1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@@H](c2ccccc2)C1 ZINC000473082482 562896709 /nfs/dbraw/zinc/89/67/09/562896709.db2.gz IIUNRDLMIHCWET-GDLZYMKVSA-N 1 1 607.763 5.391 1 0 KKAFMO CO[C@@H]1C[C@@](CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473082449 562896720 /nfs/dbraw/zinc/89/67/20/562896720.db2.gz HQBVENHUOCSWIS-SXQNJKPJSA-N 1 1 523.693 6.426 1 0 KKAFMO Cc1ccc(N2C(=O)[C@@H](NC(=O)C(=O)NCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@H]2/C=C/c2ccccc2)cc1 ZINC000473087255 562897143 /nfs/dbraw/zinc/89/71/43/562897143.db2.gz DVCSSMVHTQSMMQ-RXHWZAQVSA-N 1 1 610.158 5.899 1 0 KKAFMO c1ccc2cc(-c3nc4ncccn4c3CN3CC[NH+](Cc4c(-c5ccc6ccccc6c5)nc5ncccn45)CC3)ccc2c1 ZINC000473090060 562897455 /nfs/dbraw/zinc/89/74/55/562897455.db2.gz UOFVOXSYFBDMBT-UHFFFAOYSA-N 1 1 600.730 6.730 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3cccc(C(F)(F)F)c3)c(=O)n2C)cc1F ZINC000473090790 562897588 /nfs/dbraw/zinc/89/75/88/562897588.db2.gz PGGOVVVVCUOUOM-UHFFFAOYSA-N 1 1 722.740 6.260 1 0 KKAFMO Cc1c(NC(=O)c2ccccc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CC[NH+](C)CC4)ccc3c21 ZINC000473128439 562899906 /nfs/dbraw/zinc/89/99/06/562899906.db2.gz ZSRQAHYBCDVDRA-UHFFFAOYSA-N 1 1 545.643 5.035 1 0 KKAFMO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(C(=S)NCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473134410 562900528 /nfs/dbraw/zinc/90/05/28/562900528.db2.gz CBCUBJDIPGSPNG-AREMUKBSSA-N 1 1 513.629 5.908 1 0 KKAFMO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(C(=S)NCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473135750 562900840 /nfs/dbraw/zinc/90/08/40/562900840.db2.gz KIGSQTASCYFZAY-HHHXNRCGSA-N 1 1 527.656 5.950 1 0 KKAFMO COc1ccc(/C=C2\C[N@H+](C)C[C@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473137639 562901233 /nfs/dbraw/zinc/90/12/33/562901233.db2.gz YQJOIGYJHLQOCE-OHHWCNBCSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473137639 562901234 /nfs/dbraw/zinc/90/12/34/562901234.db2.gz YQJOIGYJHLQOCE-OHHWCNBCSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 562901795 /nfs/dbraw/zinc/90/17/95/562901795.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N 1 1 552.090 6.299 1 0 KKAFMO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(OCCC[NH+]2CCN(CC)CC2)cc1 ZINC000473153102 562901913 /nfs/dbraw/zinc/90/19/13/562901913.db2.gz YRGQOMBEKVGZRN-UHFFFAOYSA-N 1 1 530.591 5.002 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC1 ZINC000473165267 562902945 /nfs/dbraw/zinc/90/29/45/562902945.db2.gz VMHYHAFCWNMERH-UKIBZPOASA-N 1 1 514.016 5.944 1 0 KKAFMO O=C([O-])C[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 ZINC000473215206 562903943 /nfs/dbraw/zinc/90/39/43/562903943.db2.gz BULRYAVAAXWJIN-NNKIXODWSA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215206 562903944 /nfs/dbraw/zinc/90/39/44/562903944.db2.gz BULRYAVAAXWJIN-NNKIXODWSA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215206 562903945 /nfs/dbraw/zinc/90/39/45/562903945.db2.gz BULRYAVAAXWJIN-NNKIXODWSA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[N@H+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215480 562904006 /nfs/dbraw/zinc/90/40/06/562904006.db2.gz PBFOKAUOKPNWJD-XMVZRQGPSA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215480 562904007 /nfs/dbraw/zinc/90/40/07/562904007.db2.gz PBFOKAUOKPNWJD-XMVZRQGPSA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215480 562904008 /nfs/dbraw/zinc/90/40/08/562904008.db2.gz PBFOKAUOKPNWJD-XMVZRQGPSA-N 1 1 504.719 5.827 1 0 KKAFMO NC(=O)CN1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215423 562904024 /nfs/dbraw/zinc/90/40/24/562904024.db2.gz LNHDCEVMGKKTIU-JBFJIUAJSA-N 1 1 517.762 5.618 1 0 KKAFMO O=C([O-])C[N@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215284 562904039 /nfs/dbraw/zinc/90/40/39/562904039.db2.gz FNNTUUAZDHJXRL-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215284 562904040 /nfs/dbraw/zinc/90/40/40/562904040.db2.gz FNNTUUAZDHJXRL-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215284 562904041 /nfs/dbraw/zinc/90/40/41/562904041.db2.gz FNNTUUAZDHJXRL-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO O=C([O-])CC[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 ZINC000473236387 562904693 /nfs/dbraw/zinc/90/46/93/562904693.db2.gz BUMNUGUJAXCPDW-MVQHYNIRSA-N 1 1 546.800 6.682 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236387 562904694 /nfs/dbraw/zinc/90/46/94/562904694.db2.gz BUMNUGUJAXCPDW-MVQHYNIRSA-N 1 1 546.800 6.682 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236387 562904695 /nfs/dbraw/zinc/90/46/95/562904695.db2.gz BUMNUGUJAXCPDW-MVQHYNIRSA-N 1 1 546.800 6.682 1 0 KKAFMO O=S(=O)(c1ccc(C2=C[C@@H]3N=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609774 562905719 /nfs/dbraw/zinc/90/57/19/562905719.db2.gz UXEZNMPSFXNTRD-LBNVMWSVSA-N 1 1 595.146 5.317 1 0 KKAFMO COc1ccc(CCNc2ccc3c(c2)CC[N@H+](CC(=O)NCc2ccccc2)[C@H]3Cc2ccc(OC)c(OC)c2)cc1OC ZINC000474609928 562905769 /nfs/dbraw/zinc/90/57/69/562905769.db2.gz XJJBZALXBSSBSQ-YTTGMZPUSA-N 1 1 609.767 5.834 1 0 KKAFMO C[N@@H+](CC[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000653663076 562905921 /nfs/dbraw/zinc/90/59/21/562905921.db2.gz YOWBCPUSBOPPMF-HSZRJFAPSA-N 1 1 521.731 6.049 1 0 KKAFMO C[N@@H+](CC[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000653663077 562905928 /nfs/dbraw/zinc/90/59/28/562905928.db2.gz YOWBCPUSBOPPMF-QHCPKHFHSA-N 1 1 521.731 6.049 1 0 KKAFMO COc1cc2oc(-c3cn4nc(C)ccc4n3)cc2c(OCc2csc(N3CCN(c4ccc(C)c[nH+]4)CC3)n2)c1 ZINC000653663528 562905936 /nfs/dbraw/zinc/90/59/36/562905936.db2.gz LMWSTGFRHKMRRI-UHFFFAOYSA-N 1 1 567.675 5.525 1 0 KKAFMO C[C@H]([NH3+])C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000653693902 562906905 /nfs/dbraw/zinc/90/69/05/562906905.db2.gz LXTBKUXANIOCDK-CHZWFCLASA-N 1 1 549.837 5.594 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000653708698 562907984 /nfs/dbraw/zinc/90/79/84/562907984.db2.gz VDVPXYDBILKOEA-UHFFFAOYSA-N 1 1 561.086 5.304 1 0 KKAFMO COc1cc(/C=C/c2ccc(OCC(=O)NCCCC[N@@H+](C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653746627 562910393 /nfs/dbraw/zinc/91/03/93/562910393.db2.gz HPPJRYGTFLJLMM-VAWYXSNFSA-N 1 1 518.654 5.290 1 0 KKAFMO COc1cc(/C=C/c2ccc(OCC(=O)NCCCCCC[N@@H+](C)Cc3ccccc3)cc2)cc(OC)c1 ZINC000653746559 562910398 /nfs/dbraw/zinc/91/03/98/562910398.db2.gz CABPKWUALKVCTH-BUHFOSPRSA-N 1 1 516.682 6.062 1 0 KKAFMO COCC[NH+]1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653752844 562910742 /nfs/dbraw/zinc/91/07/42/562910742.db2.gz AEEITLHSTPQZFW-QHCPKHFHSA-N 1 1 563.706 5.905 1 0 KKAFMO Cc1ccc2occ(CN3CC[NH+](Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c(=O)c2c1 ZINC000653785994 562912391 /nfs/dbraw/zinc/91/23/91/562912391.db2.gz IZDAKKZWUYYSLJ-UHFFFAOYSA-N 1 1 531.578 6.382 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CC[NH+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653816283 562913983 /nfs/dbraw/zinc/91/39/83/562913983.db2.gz BAWZESLJEVSFRN-HNNXBMFYSA-N 1 1 522.440 5.700 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC[N@@H+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822639 562914185 /nfs/dbraw/zinc/91/41/85/562914185.db2.gz JQKDGGRZIBHFLB-INIZCTEOSA-N 1 1 536.467 6.090 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC[N@H+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822639 562914186 /nfs/dbraw/zinc/91/41/86/562914186.db2.gz JQKDGGRZIBHFLB-INIZCTEOSA-N 1 1 536.467 6.090 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC[N@@H+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822639 562914187 /nfs/dbraw/zinc/91/41/87/562914187.db2.gz JQKDGGRZIBHFLB-INIZCTEOSA-N 1 1 536.467 6.090 1 0 KKAFMO Cc1cc(=O)oc2cc(OCCC[N@H+](C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)ccc12 ZINC000653837926 562914787 /nfs/dbraw/zinc/91/47/87/562914787.db2.gz RIRAXUJPOGFDFJ-UHFFFAOYSA-N 1 1 542.676 6.504 1 0 KKAFMO Cc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH+]c2c1 ZINC000653845329 562915100 /nfs/dbraw/zinc/91/51/00/562915100.db2.gz KWLJBBUJPGJTAB-UIOOFZCWSA-N 1 1 512.610 5.795 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873412 562916515 /nfs/dbraw/zinc/91/65/15/562916515.db2.gz MWFZYQUTLKJXCL-UHFFFAOYSA-N 1 1 526.471 5.915 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(Cl)cccc3Cl)nn2)cc1F ZINC000653894798 562917294 /nfs/dbraw/zinc/91/72/94/562917294.db2.gz LMHQKTKDTTUDNR-UHFFFAOYSA-N 1 1 667.525 6.416 1 0 KKAFMO COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)C[C@H]3[N@@H+](C)CC2 ZINC000060184488 565116670 /nfs/dbraw/zinc/11/66/70/565116670.db2.gz CXLYPEWFHWCEFN-GDLZYMKVSA-N 1 1 606.719 6.462 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532248 565137646 /nfs/dbraw/zinc/13/76/46/565137646.db2.gz GZAWLROFZGMZQB-LBJQEORVSA-N 1 1 615.811 6.043 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[N@H+](C)CC5)OCO4)CCN1C ZINC000085540986 565138990 /nfs/dbraw/zinc/13/89/90/565138990.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 1 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)[N@@H+](C)CC5)OCO4)CCN1C ZINC000085540986 565138996 /nfs/dbraw/zinc/13/89/96/565138996.db2.gz VVTMSPVWECSHQM-URLMMPGGSA-N 1 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMO 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)cnc1N ZINC000085568371 565143639 /nfs/dbraw/zinc/14/36/39/565143639.db2.gz SSOVGGWJUPOJRZ-WCMSDSPBSA-N 1 1 693.841 6.528 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085976996 565170999 /nfs/dbraw/zinc/17/09/99/565170999.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 1 1 652.788 7.171 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085976996 565171000 /nfs/dbraw/zinc/17/10/00/565171000.db2.gz SVQMVSCWYACSCP-XZWHSSHBSA-N 1 1 652.788 7.171 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CC[NH+]1C ZINC000095912410 565181590 /nfs/dbraw/zinc/18/15/90/565181590.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CCN1C ZINC000095912410 565181593 /nfs/dbraw/zinc/18/15/93/565181593.db2.gz JFYQEEKVWQQEDE-IHLOFXLRSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947312 581091635 /nfs/dbraw/zinc/09/16/35/581091635.db2.gz XXFJVXFGCDTSND-RRPNLBNLSA-N 1 1 593.259 10.176 1 0 KKAFMO CC[NH+](CC)CCNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)nc2c1 ZINC000003925816 561686678 /nfs/dbraw/zinc/68/66/78/561686678.db2.gz PKOLTBBFTJODIG-UHFFFAOYSA-N 1 1 653.831 6.516 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000003949860 561690273 /nfs/dbraw/zinc/69/02/73/561690273.db2.gz MTILJZDXWAESRY-XNTDXEJSSA-N 1 1 697.623 6.935 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000008585220 561705864 /nfs/dbraw/zinc/70/58/64/561705864.db2.gz ZFVHPLAFXZCAIY-QJOHXIFOSA-N 1 1 575.752 8.829 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586129 561706003 /nfs/dbraw/zinc/70/60/03/561706003.db2.gz COBDEDAHCPSQHT-OWGSQAEBSA-N 1 1 573.699 8.561 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008679921 561706913 /nfs/dbraw/zinc/70/69/13/561706913.db2.gz NVXADGOQGPIPIO-QJOHXIFOSA-N 1 1 643.749 9.848 3 0 aggregator KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000008690091 561707759 /nfs/dbraw/zinc/70/77/59/561707759.db2.gz VOOOYBCZHYEAAU-RKKUSFCFSA-N 1 1 546.036 7.838 3 0 KKAFMO COc1cc2c(cc1OC)C(=O)N([C@@H]1CCC[N@@H+](CCCOc3ccc(OCc4ccccc4)cc3)C1)CC2 ZINC000013558944 561719496 /nfs/dbraw/zinc/71/94/96/561719496.db2.gz ROZKUPMORBJMBK-AREMUKBSSA-N 1 1 530.665 5.215 1 0 KKAFMO O=C(Nc1ccc(Br)cc1)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000013613294 561721976 /nfs/dbraw/zinc/72/19/76/561721976.db2.gz XOLRUKHPGCIPJW-STWLZBDKSA-N 1 1 502.472 6.223 1 0 KKAFMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674189 561723862 /nfs/dbraw/zinc/72/38/62/561723862.db2.gz YQBRYEMSCWENAH-GOSISDBHSA-N 1 1 508.403 6.114 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781695 561729445 /nfs/dbraw/zinc/72/94/45/561729445.db2.gz OIQRRPTWMZBNMA-DFHRPNOPSA-N 1 1 528.759 5.323 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781682 561729448 /nfs/dbraw/zinc/72/94/48/561729448.db2.gz TUGILCFBIODMPH-HHHXNRCGSA-N 1 1 512.716 5.812 1 0 KKAFMO O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013782643 561729842 /nfs/dbraw/zinc/72/98/42/561729842.db2.gz HRFPUBXGMCAEFM-UHFFFAOYSA-N 1 1 517.551 5.069 1 0 KKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](Cc3ccccc3)[C@@H]1N2Cc1ccccc1 ZINC000013797566 561730114 /nfs/dbraw/zinc/73/01/14/561730114.db2.gz YSHGAURKQQQQLD-VTIYRKAUSA-N 1 1 503.646 7.116 1 0 KKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](Cc3ccccc3)[C@@H]1N2Cc1ccccc1 ZINC000013797566 561730115 /nfs/dbraw/zinc/73/01/15/561730115.db2.gz YSHGAURKQQQQLD-VTIYRKAUSA-N 1 1 503.646 7.116 1 0 KKAFMO OC[C@@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819418 561732435 /nfs/dbraw/zinc/73/24/35/561732435.db2.gz RNBWEUULKWTMAR-QAXCHELISA-N 1 1 504.759 5.493 1 0 KKAFMO OC[C@@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819418 561732436 /nfs/dbraw/zinc/73/24/36/561732436.db2.gz RNBWEUULKWTMAR-QAXCHELISA-N 1 1 504.759 5.493 1 0 KKAFMO CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000014210697 561737992 /nfs/dbraw/zinc/73/79/92/561737992.db2.gz YHYBBOPOIUAVHY-FIRIVFDPSA-N 1 1 635.249 5.502 1 0 KKAFMO C[N@@H+]1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5ccccc54)ccc3[nH]2)ccc1C(F)(F)F ZINC000014965255 561749485 /nfs/dbraw/zinc/74/94/85/561749485.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 1 1 533.554 7.139 1 0 KKAFMO C[N@H+]1CCC[C@@H]1COc1cc(Nc2nc3cc(Oc4ccnc5ccccc54)ccc3[nH]2)ccc1C(F)(F)F ZINC000014965255 561749486 /nfs/dbraw/zinc/74/94/86/561749486.db2.gz WATHVYRKWVIPDZ-LJQANCHMSA-N 1 1 533.554 7.139 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@H+]5C)c4)nc3c2)ccn1 ZINC000014965294 561749564 /nfs/dbraw/zinc/74/95/64/561749564.db2.gz KMNCFOUKJYOZIF-KRWDZBQOSA-N 1 1 507.978 5.245 1 0 in-vitro KKAFMO CN1C[C@@H](c2ccccc2)C(=O)[C@](c2ccccc2)(C2(O)[C@@H](c3ccccc3)C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000017300894 561754590 /nfs/dbraw/zinc/75/45/90/561754590.db2.gz MYEJTRVASCARKF-ZCUZWMQKSA-N 1 1 530.712 5.467 1 0 KKAFMO CC(=O)n1cc([C@@H]2C=C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527407 561755290 /nfs/dbraw/zinc/75/52/90/561755290.db2.gz VTQGVLJZPVITEX-SJHOIFEDSA-N 1 1 579.697 5.069 3 0 KKAFMO O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017527401 561755347 /nfs/dbraw/zinc/75/53/47/561755347.db2.gz VXJGPQPIHWCJNM-OFSOJUDTSA-N 1 1 577.519 5.217 3 0 KKAFMO COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545737 561756029 /nfs/dbraw/zinc/75/60/29/561756029.db2.gz MJKLWLKIFXZGHF-UIUQJESISA-N 1 1 632.798 6.491 3 0 KKAFMO COc1ccc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545872 561756149 /nfs/dbraw/zinc/75/61/49/561756149.db2.gz WDNBAIVCBMDRDB-KAYWLYCHSA-N 1 1 560.691 5.074 3 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[N@H+]4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655015 561757787 /nfs/dbraw/zinc/75/77/87/561757787.db2.gz KYLMCYPJCZDSJX-XCRWMPKNSA-N 1 1 619.755 6.433 1 0 KKAFMO CN1CC[NH+](CCOc2ccc(Nc3cc4c(cn3)cc(-c3c(Cl)cccc3Cl)c(=O)n4C)cc2)CC1 ZINC000021289535 561758882 /nfs/dbraw/zinc/75/88/82/561758882.db2.gz OJWPICIEUSPJKT-UHFFFAOYSA-N 1 1 538.479 5.277 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000025964552 561762994 /nfs/dbraw/zinc/76/29/94/561762994.db2.gz IUCVMFQGKCHLPG-SNBXREPGSA-N 1 1 586.754 6.609 1 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(Br)cccc2C1 ZINC000026153640 561767925 /nfs/dbraw/zinc/76/79/25/561767925.db2.gz HBJXUXOERUVVGH-HHHXNRCGSA-N 1 1 519.527 6.896 1 0 KKAFMO C[N@@H+](CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCN(CCN1CCOCC1)C(=O)Nc1ccc(F)cc1F ZINC000026018275 561766520 /nfs/dbraw/zinc/76/65/20/561766520.db2.gz JDCWWINOFGMBJY-UHFFFAOYSA-N 1 1 620.770 5.912 1 0 KKAFMO COc1c(-c2nc(CNC[C@@H]3CC[N@@H+](Cc4ccccc4)C3)co2)cc(Br)c2ccccc21 ZINC000026172244 561770167 /nfs/dbraw/zinc/77/01/67/561770167.db2.gz DRRIHRQXXFYPBU-FQEVSTJZSA-N 1 1 506.444 5.878 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2c[nH]c3ccccc23)cc1 ZINC000026188377 561773070 /nfs/dbraw/zinc/77/30/70/561773070.db2.gz YFPRKFGAQHXTFR-QRRGNZNSSA-N 1 1 517.717 7.321 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294948 561781268 /nfs/dbraw/zinc/78/12/68/561781268.db2.gz BCMOURGLNMDTBL-JWQCQUIFSA-N 1 1 565.545 6.610 1 0 KKAFMO CC[C@@](CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283536 561779450 /nfs/dbraw/zinc/77/94/50/561779450.db2.gz FUXGUCORRPMWFN-UMSFTDKQSA-N 1 1 563.804 8.046 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287227 561779935 /nfs/dbraw/zinc/77/99/35/561779935.db2.gz VDGIWFABCWUAFZ-BJKOFHAPSA-N 1 1 551.518 6.219 1 0 KKAFMO Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000026390297 561785558 /nfs/dbraw/zinc/78/55/58/561785558.db2.gz HLSBJGNMECMRGP-UHFFFAOYSA-N 1 1 560.695 5.139 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCc2ccccn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026492241 561793542 /nfs/dbraw/zinc/79/35/42/561793542.db2.gz QMDYJQBTCSAHBJ-XIFFEERXSA-N 1 1 590.857 6.538 1 0 KKAFMO CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296731 561781625 /nfs/dbraw/zinc/78/16/25/561781625.db2.gz DCJXJZRHLYXSCU-AXLBLIHRSA-N 1 1 654.896 5.478 1 0 KKAFMO CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C[NH+]4CCCCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577514 561801664 /nfs/dbraw/zinc/80/16/64/561801664.db2.gz JDHQPKFRVHUGCX-CMDGGOBGSA-N 1 1 505.710 7.042 1 0 KKAFMO O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000026579707 561805143 /nfs/dbraw/zinc/80/51/43/561805143.db2.gz NIGWECQRRVHFTM-UHFFFAOYSA-N 1 1 649.544 8.419 1 0 KKAFMO O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[NH+]3CCN(c4ccccc4)CC3)ccc1-2 ZINC000026647157 561807644 /nfs/dbraw/zinc/80/76/44/561807644.db2.gz ZNBINDDZICZOBG-UHFFFAOYSA-N 1 1 642.804 5.200 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000026834399 561823801 /nfs/dbraw/zinc/82/38/01/561823801.db2.gz FLCJUYJOFGNZSU-VEJIKZNJSA-N 1 1 749.953 5.032 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3c(C)[nH+]c(C)c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026835970 561824335 /nfs/dbraw/zinc/82/43/35/561824335.db2.gz KSAZWYFJLZNXHL-GDLZYMKVSA-N 1 1 582.104 6.420 1 0 KKAFMO C[N@@H+](CCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840605 561825683 /nfs/dbraw/zinc/82/56/83/561825683.db2.gz DNGKALAOBQCDPL-LJAQVGFWSA-N 1 1 556.769 6.081 1 0 KKAFMO C[N@@H+](CCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026840600 561825728 /nfs/dbraw/zinc/82/57/28/561825728.db2.gz DNGKALAOBQCDPL-GDLZYMKVSA-N 1 1 556.769 6.081 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081430 561835125 /nfs/dbraw/zinc/83/51/25/561835125.db2.gz MWFUUYPTTPCXEY-SDZVROEXSA-N 1 1 675.871 5.210 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081430 561835126 /nfs/dbraw/zinc/83/51/26/561835126.db2.gz MWFUUYPTTPCXEY-SDZVROEXSA-N 1 1 675.871 5.210 1 0 KKAFMO COc1cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843821 561826288 /nfs/dbraw/zinc/82/62/88/561826288.db2.gz RMHALYQZHFLFFL-LJAQVGFWSA-N 1 1 655.623 5.299 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081964 561835251 /nfs/dbraw/zinc/83/52/51/561835251.db2.gz PIAPBQYSIJZAPM-DPGDXNODSA-N 1 1 687.907 5.080 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081964 561835253 /nfs/dbraw/zinc/83/52/53/561835253.db2.gz PIAPBQYSIJZAPM-DPGDXNODSA-N 1 1 687.907 5.080 1 0 KKAFMO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OCC(C)C ZINC000026960295 561829547 /nfs/dbraw/zinc/82/95/47/561829547.db2.gz SUEFKCGTIDVUOI-AREMUKBSSA-N 1 1 573.612 6.046 1 0 KKAFMO CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000026968701 561830235 /nfs/dbraw/zinc/83/02/35/561830235.db2.gz PKVDFWRNVZYXLU-INCHCDLYSA-N 1 1 547.599 6.025 1 0 KKAFMO CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026985977 561831892 /nfs/dbraw/zinc/83/18/92/561831892.db2.gz FVYCHGZRYVAZJF-MOBKVPTQSA-N 1 1 535.588 5.883 1 0 KKAFMO C[C@@H](c1ccc(I)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000026995712 561833288 /nfs/dbraw/zinc/83/32/88/561833288.db2.gz QCDDKNCWCRNPEP-OALUTQOASA-N 1 1 580.942 5.289 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073587 561833883 /nfs/dbraw/zinc/83/38/83/561833883.db2.gz HAELTQWQFNWTBQ-FBBJSWSOSA-N 1 1 657.881 5.071 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073587 561833885 /nfs/dbraw/zinc/83/38/85/561833885.db2.gz HAELTQWQFNWTBQ-FBBJSWSOSA-N 1 1 657.881 5.071 1 0 KKAFMO CN(Cc1c(-c2ccc(NC(=O)CC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027110021 561841373 /nfs/dbraw/zinc/84/13/73/561841373.db2.gz VAXVMBRCBUMWFJ-UHFFFAOYSA-N 1 1 665.766 6.127 1 0 KKAFMO CN(Cc1c(-c2ccc(NC(=O)C[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027184537 561842342 /nfs/dbraw/zinc/84/23/42/561842342.db2.gz IGCMTWXSJAWVSM-UHFFFAOYSA-N 1 1 651.739 5.737 1 0 KKAFMO Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCCC3)c(Br)c2)cc1 ZINC000027207599 561846167 /nfs/dbraw/zinc/84/61/67/561846167.db2.gz UTBCSHYTMNCDPU-SXOMAYOGSA-N 1 1 558.563 7.405 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCCCc1ccccc1 ZINC000027209487 561846845 /nfs/dbraw/zinc/84/68/45/561846845.db2.gz RBCQCVSMIQCOMN-JVVMDBNWSA-N 1 1 533.659 6.878 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000027214042 561847789 /nfs/dbraw/zinc/84/77/89/561847789.db2.gz XRLXHADLAXWZDU-WOZUAGRISA-N 1 1 617.265 5.026 1 0 KKAFMO CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027317677 561851942 /nfs/dbraw/zinc/85/19/42/561851942.db2.gz MVEIAQQXTGICDD-UHFFFAOYSA-N 1 1 635.784 6.856 1 0 KKAFMO CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027317677 561851943 /nfs/dbraw/zinc/85/19/43/561851943.db2.gz MVEIAQQXTGICDD-UHFFFAOYSA-N 1 1 635.784 6.856 1 0 KKAFMO O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(NCCC[NH+]2CCOCC2)c1)NCCCN1CCCC1=O ZINC000027325669 561853569 /nfs/dbraw/zinc/85/35/69/561853569.db2.gz YFXSWMDQYXKWEK-UXBLZVDNSA-N 1 1 591.605 5.421 1 0 KKAFMO CCCN(c1ccccn1)C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000027434606 561859860 /nfs/dbraw/zinc/85/98/60/561859860.db2.gz GRIXLMZYDOACAH-GKFGNYHGSA-N 1 1 518.746 5.512 1 0 KKAFMO Clc1ccc2c(c1)nccc2NCCCOCCCCOCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027436994 561860377 /nfs/dbraw/zinc/86/03/77/561860377.db2.gz QJFFLLADPAOIBK-UHFFFAOYSA-N 1 1 527.496 7.207 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526326 561866264 /nfs/dbraw/zinc/86/62/64/561866264.db2.gz UJELWGXJMXZTIC-LJAQVGFWSA-N 1 1 567.677 5.564 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547678 561867242 /nfs/dbraw/zinc/86/72/42/561867242.db2.gz WMJYLKOESTVKAR-PMERELPUSA-N 1 1 539.667 6.245 1 0 KKAFMO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000027549097 561867627 /nfs/dbraw/zinc/86/76/27/561867627.db2.gz YFYHVDDGBCBNTC-UHFFFAOYSA-N 1 1 509.138 6.555 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549292 561867631 /nfs/dbraw/zinc/86/76/31/561867631.db2.gz JICRZQUVMVWMQI-BHVANESWSA-N 1 1 613.793 8.056 1 0 KKAFMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@H+]3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000027552980 561868501 /nfs/dbraw/zinc/86/85/01/561868501.db2.gz ZFGRMWBYHAUOCE-JGCGQSQUSA-N 1 1 557.760 7.018 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3Sc3ccccc3)cc1)CC2 ZINC000027656859 561877812 /nfs/dbraw/zinc/87/78/12/561877812.db2.gz JXEHHPLONHIVET-UHFFFAOYSA-N 1 1 524.686 6.708 1 0 KKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC000027729751 561881177 /nfs/dbraw/zinc/88/11/77/561881177.db2.gz DZXYFVBPMLOTIH-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC000027729751 561881178 /nfs/dbraw/zinc/88/11/78/561881178.db2.gz DZXYFVBPMLOTIH-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(C4CCCCCC4)n3)c(F)c2)CC1 ZINC000027732983 561881450 /nfs/dbraw/zinc/88/14/50/561881450.db2.gz DGZDBBMLJBXTPJ-JOCHJYFZSA-N 1 1 581.689 5.028 1 0 KKAFMO C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734984 561881784 /nfs/dbraw/zinc/88/17/84/561881784.db2.gz CZWOPRGALMNIIB-OAQYLSRUSA-N 1 1 646.591 6.037 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000027982092 561891826 /nfs/dbraw/zinc/89/18/26/561891826.db2.gz KHNWJDINXUXFHT-DCWSAZFOSA-N 1 1 587.812 7.900 1 0 KKAFMO COc1ccc(OCCCN2CC[NH+](CCc3ccc(OC)c(OC)c3)CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007005 561895753 /nfs/dbraw/zinc/89/57/53/561895753.db2.gz WHCGPGKLISUXOR-MGBGTMOVSA-N 1 1 591.774 5.499 1 0 KKAFMO Cc1cc(-c2ccccc2)nn1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007243 561895769 /nfs/dbraw/zinc/89/57/69/561895769.db2.gz HZQZTHYEYWXIAQ-KCTCJIHVSA-N 1 1 540.752 6.245 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012921 561896751 /nfs/dbraw/zinc/89/67/51/561896751.db2.gz ZTRZGKAWUDWYGL-XIFFEERXSA-N 1 1 594.774 6.602 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014275 561896999 /nfs/dbraw/zinc/89/69/99/561896999.db2.gz DKYYISTXVPXPTC-NBNUSJIVSA-N 1 1 610.818 7.180 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015679 561897248 /nfs/dbraw/zinc/89/72/48/561897248.db2.gz DYYAUPMKHPMGJX-SQSKQFLFSA-N 1 1 616.822 6.568 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)C[C@H](C)c2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028019517 561898089 /nfs/dbraw/zinc/89/80/89/561898089.db2.gz IGSKGZICNGWZMH-ICACTRECSA-N 1 1 564.748 6.764 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020666 561898371 /nfs/dbraw/zinc/89/83/71/561898371.db2.gz IBYSMUQVMPGPNX-WJOKGBTCSA-N 1 1 566.720 5.822 1 0 KKAFMO CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088263 561899594 /nfs/dbraw/zinc/89/95/94/561899594.db2.gz QWGGANWFKFBCQI-NNYJQHGCSA-N 1 1 612.737 6.239 1 0 KKAFMO O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028093123 561900374 /nfs/dbraw/zinc/90/03/74/561900374.db2.gz MVWIZZHMSROILD-XIFFEERXSA-N 1 1 636.881 5.832 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093798 561900386 /nfs/dbraw/zinc/90/03/86/561900386.db2.gz QXBBLTVHGIMTJE-QDOWCXKUSA-N 1 1 699.814 8.614 1 0 KKAFMO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028093965 561900550 /nfs/dbraw/zinc/90/05/50/561900550.db2.gz UCBXWLPRAVDTBU-UZNICKRLSA-N 1 1 688.957 6.802 1 0 KKAFMO O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028094240 561900564 /nfs/dbraw/zinc/90/05/64/561900564.db2.gz POGDAPYUQHRUOU-MGBGTMOVSA-N 1 1 636.881 5.832 1 0 KKAFMO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095033 561900622 /nfs/dbraw/zinc/90/06/22/561900622.db2.gz OYAJBCNCCCHJQB-NGZLLANBSA-N 1 1 618.838 6.816 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000028095273 561900844 /nfs/dbraw/zinc/90/08/44/561900844.db2.gz JUFZAZPBSPFLIO-JYFHCDHNSA-N 1 1 534.595 5.387 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028097335 561901105 /nfs/dbraw/zinc/90/11/05/561901105.db2.gz CAGZIBHOJDZLGX-WUSDWFAZSA-N 1 1 636.856 7.694 1 0 KKAFMO C[NH+]1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028106283 561902326 /nfs/dbraw/zinc/90/23/26/561902326.db2.gz SSJBBNZWJHOPCO-UHFFFAOYSA-N 1 1 622.835 7.057 1 0 KKAFMO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136797 561906800 /nfs/dbraw/zinc/90/68/00/561906800.db2.gz PVIPSFPLLZFEEP-URLMMPGGSA-N 1 1 593.143 6.177 1 0 KKAFMO Cc1cc(Cc2c3ccc(O)cc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000028222885 561907538 /nfs/dbraw/zinc/90/75/38/561907538.db2.gz NCGHHQZXXVCREK-HKBQPEDESA-N 1 1 570.755 6.697 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241752 561910458 /nfs/dbraw/zinc/91/04/58/561910458.db2.gz NOTUERNGVKFNTG-UHFFFAOYSA-N 1 1 653.711 6.350 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242482 561910500 /nfs/dbraw/zinc/91/05/00/561910500.db2.gz OTZDCDSPVPUTBD-UHFFFAOYSA-N 1 1 644.143 7.501 1 0 KKAFMO CCC[N@@H+](Cc1cccs1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330488 561912702 /nfs/dbraw/zinc/91/27/02/561912702.db2.gz RPJVLOPLWRKCGC-UHFFFAOYSA-N 1 1 514.853 8.339 1 0 KKAFMO CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cc(O)cc4Cl)c(=O)n(C)c3n2)cc1 ZINC000028337211 561913448 /nfs/dbraw/zinc/91/34/48/561913448.db2.gz UYKAPFHOGKPGRU-UHFFFAOYSA-N 1 1 528.440 5.472 1 0 KKAFMO CCONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028236877 561909939 /nfs/dbraw/zinc/90/99/39/561909939.db2.gz RLRMDPMAKXSSMN-UHFFFAOYSA-N 1 1 681.765 6.912 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2Cl)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238331 561910110 /nfs/dbraw/zinc/91/01/10/561910110.db2.gz SAILQDZQYBVBGM-UHFFFAOYSA-N 1 1 644.143 7.501 1 0 KKAFMO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578608 555451280 /nfs/dbraw/zinc/45/12/80/555451280.db2.gz OCSSPPVRIBPKRC-JHIRXSEKSA-N 1 1 542.120 5.871 2 0 KKAFMO CN1CC[C@@H]([N@@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028379889 561919930 /nfs/dbraw/zinc/91/99/30/561919930.db2.gz BXBBTGROZZZYEE-GOSISDBHSA-N 1 1 568.061 5.650 1 0 KKAFMO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028460370 561925087 /nfs/dbraw/zinc/92/50/87/561925087.db2.gz PRNUQNNJUMXHQX-UHFFFAOYSA-N 1 1 504.600 7.634 1 0 KKAFMO CC[N@@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028462462 561925499 /nfs/dbraw/zinc/92/54/99/561925499.db2.gz GUUTVUZKVDEKJX-UHFFFAOYSA-N 1 1 504.600 7.287 1 0 KKAFMO CCCC[N@@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000028464798 561926035 /nfs/dbraw/zinc/92/60/35/561926035.db2.gz QGLIVCVTAZGIAD-UHFFFAOYSA-N 1 1 518.627 8.025 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028522938 561929701 /nfs/dbraw/zinc/92/97/01/561929701.db2.gz YMRAFUPPFPFNJB-NPLMNSEMSA-N 1 1 528.741 5.888 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4c(Cl)cc(Cl)cn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523906 561930649 /nfs/dbraw/zinc/93/06/49/561930649.db2.gz LETGUAMCHXDZCJ-GEWUYGHSSA-N 1 1 573.540 6.319 1 0 KKAFMO CC(C)(C)[N@@H+]1CC=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565430 561936215 /nfs/dbraw/zinc/93/62/15/561936215.db2.gz GIMALXBZPHYBGR-UHFFFAOYSA-N 1 1 555.908 8.645 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCN2CC[NH+](CCCOC(=O)C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC ZINC000028637874 561941791 /nfs/dbraw/zinc/94/17/91/561941791.db2.gz GCQGBWHIGHFUOP-CCEZHUSRSA-N 1 1 614.739 5.022 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000028645319 561944573 /nfs/dbraw/zinc/94/45/73/561944573.db2.gz MGXIAUQCPAQVBR-APPMPJGRSA-N 1 1 536.560 6.816 1 0 KKAFMO C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C[C@H]1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028645330 561944633 /nfs/dbraw/zinc/94/46/33/561944633.db2.gz PAOZKBONXKGCEU-KYOCIYJJSA-N 1 1 550.587 7.062 1 0 KKAFMO CCN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646147 561944806 /nfs/dbraw/zinc/94/48/06/561944806.db2.gz ZVQKMPSKLZYTED-YTTGMZPUSA-N 1 1 502.722 5.298 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@@]12C=Cc1ccccc12 ZINC000028702689 561947152 /nfs/dbraw/zinc/94/71/52/561947152.db2.gz RWMKRGFJHUIINF-HPYKGQJFSA-N 1 1 608.652 6.860 1 0 KKAFMO CCCCCC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704023 561948112 /nfs/dbraw/zinc/94/81/12/561948112.db2.gz PZTOZWZKJLRLIC-JPXPHEEESA-N 1 1 620.722 9.156 1 0 KKAFMO COC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704038 561948119 /nfs/dbraw/zinc/94/81/19/561948119.db2.gz BZZXSUHOLOFNJP-WMQPQHNASA-N 1 1 580.613 6.832 1 0 KKAFMO CC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704056 561948235 /nfs/dbraw/zinc/94/82/35/561948235.db2.gz WZPMKCZRNPIWHY-WMQPQHNASA-N 1 1 514.607 6.716 1 0 KKAFMO Cc1cc2c(cc1NCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2[nH]cc[nH+]2)cc1 ZINC000028711932 561952610 /nfs/dbraw/zinc/95/26/10/561952610.db2.gz HKOGIDWCHPRRFX-UHFFFAOYSA-N 1 1 561.734 7.473 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)no1 ZINC000028712463 561953058 /nfs/dbraw/zinc/95/30/58/561953058.db2.gz RFIKMECJVGIKGU-UHFFFAOYSA-N 1 1 524.694 5.885 1 0 KKAFMO c1ccc(C(c2ccccc2)N2CC[NH+](CCCOc3ccc(C4O[C@@H](c5ccccc5)[C@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816178 561963965 /nfs/dbraw/zinc/96/39/65/561963965.db2.gz FMGHYAOOIORXPJ-ZAQUEYBZSA-N 1 1 610.798 8.391 1 0 KKAFMO C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CC[NH+](CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816388 561964111 /nfs/dbraw/zinc/96/41/11/561964111.db2.gz NGGXTXNCMMOGIG-LDNVYYCDSA-N 1 1 574.809 7.559 1 0 KKAFMO COc1ccc([C@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818159 561965253 /nfs/dbraw/zinc/96/52/53/561965253.db2.gz WLVVWVWAWIFTAL-SSEXGKCCSA-N 1 1 539.642 5.882 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818159 561965254 /nfs/dbraw/zinc/96/52/54/561965254.db2.gz WLVVWVWAWIFTAL-SSEXGKCCSA-N 1 1 539.642 5.882 1 0 KKAFMO FC(F)(F)c1ccc2c(c1)N(Cc1ccc(C[NH+]3CCN(c4ncccn4)CC3)cc1)c1ccccc1S2 ZINC000028821672 561966419 /nfs/dbraw/zinc/96/64/19/561966419.db2.gz AGFDEJVDCUGXTG-UHFFFAOYSA-N 1 1 533.623 6.621 1 0 KKAFMO COc1cccc(C(=N)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 561973101 /nfs/dbraw/zinc/97/31/01/561973101.db2.gz XZRCLPUHBOQVPS-UHFFFAOYSA-N 1 1 675.860 5.041 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873119 561974791 /nfs/dbraw/zinc/97/47/91/561974791.db2.gz RNKNHGHLOCVTGY-UHFFFAOYSA-N 1 1 678.918 6.671 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879397 561976291 /nfs/dbraw/zinc/97/62/91/561976291.db2.gz ZIDJCKAKCGREPA-IIZLTXOPSA-N 1 1 608.151 5.988 1 0 KKAFMO Cc1c(C[N@@H+](CCCCc2ccccc2)C2CCN(C(=O)c3cccc4ccccc43)CC2)c(=O)n(-c2ccccc2)n1C ZINC000028897631 561979246 /nfs/dbraw/zinc/97/92/46/561979246.db2.gz FCRDGLPGMABUKA-UHFFFAOYSA-N 1 1 586.780 6.767 1 0 KKAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@H](O)c3cc4ccccc4o3)sc21 ZINC000028901543 561980016 /nfs/dbraw/zinc/98/00/16/561980016.db2.gz WQNORAHNWIBJOX-QHCPKHFHSA-N 1 1 536.053 5.095 1 0 KKAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](O)c3cc4ccccc4o3)sc21 ZINC000028901543 561980018 /nfs/dbraw/zinc/98/00/18/561980018.db2.gz WQNORAHNWIBJOX-QHCPKHFHSA-N 1 1 536.053 5.095 1 0 KKAFMO CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNc3cccnc3)CC2)C1 ZINC000028959793 561983926 /nfs/dbraw/zinc/98/39/26/561983926.db2.gz OHSFUYVBJLWCRQ-WUFINQPMSA-N 1 1 518.105 5.120 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CCC[N@H+](Cc5ccc(Cl)c(Cl)c5)C4)cc3)nc2c1 ZINC000028960605 561984055 /nfs/dbraw/zinc/98/40/55/561984055.db2.gz CVVJPNFPNIHLQA-SFHVURJKSA-N 1 1 509.437 5.927 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@H]4CCC[N@@H+](Cc5ccc(Cl)c(Cl)c5)C4)cc3)nc2c1 ZINC000028960605 561984057 /nfs/dbraw/zinc/98/40/57/561984057.db2.gz CVVJPNFPNIHLQA-SFHVURJKSA-N 1 1 509.437 5.927 1 0 KKAFMO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+](CCCc2ccc(F)cc2)CC23CC4CC(CC(C4)C2)C3)cc(-c2nnnn2C)c1 ZINC000029039087 561989452 /nfs/dbraw/zinc/98/94/52/561989452.db2.gz YHXDUUWKFOEDMD-AJCADDFISA-N 1 1 617.814 5.601 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 ZINC000029043188 561991967 /nfs/dbraw/zinc/99/19/67/561991967.db2.gz NCLQWDCIPKHQBS-LXQNXJGFSA-N 1 1 572.165 6.295 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Cc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000029126139 561998396 /nfs/dbraw/zinc/99/83/96/561998396.db2.gz IROCQLCIIJYYRK-UHFFFAOYSA-N 1 1 526.681 5.524 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126897 561999044 /nfs/dbraw/zinc/99/90/44/561999044.db2.gz JURMKPGGUGOQIP-LJQANCHMSA-N 1 1 605.606 6.776 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126897 561999047 /nfs/dbraw/zinc/99/90/47/561999047.db2.gz JURMKPGGUGOQIP-LJQANCHMSA-N 1 1 605.606 6.776 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029126899 561999195 /nfs/dbraw/zinc/99/91/95/561999195.db2.gz XURXMJIMPKTNSF-QGZVFWFLSA-N 1 1 645.549 7.233 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029126899 561999197 /nfs/dbraw/zinc/99/91/97/561999197.db2.gz XURXMJIMPKTNSF-QGZVFWFLSA-N 1 1 645.549 7.233 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(CC6CC6)oc5cc4CC3)n2C)n1 ZINC000029126943 561999222 /nfs/dbraw/zinc/99/92/22/561999222.db2.gz KFMDKMLEGDZMCX-UHFFFAOYSA-N 1 1 538.721 6.015 1 0 KKAFMO Cc1nc2cc3c(c(C)c2o1)CC[N@@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127036 561999395 /nfs/dbraw/zinc/99/93/95/561999395.db2.gz COKSKIXACCXTRS-LJQANCHMSA-N 1 1 526.710 6.068 1 0 KKAFMO CCc1nc2cc3c(c(C)c2o1)CC[N@@H+](CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127080 561999432 /nfs/dbraw/zinc/99/94/32/561999432.db2.gz HGTGAIQIJPCZMF-UHFFFAOYSA-N 1 1 512.683 5.544 1 0 KKAFMO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130403 562002496 /nfs/dbraw/zinc/00/24/96/562002496.db2.gz VGQVERFTHHEIEQ-AKGWNBJDSA-N 1 1 528.718 5.494 1 0 KKAFMO O=C1c2cccc3c4ccsc4cc(c32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029203203 562004815 /nfs/dbraw/zinc/00/48/15/562004815.db2.gz INZYMXFNWSPANN-UHFFFAOYSA-N 1 1 632.767 5.884 1 0 KKAFMO CN(CCC[N@@H+](C)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccsc4cc(c32)C1=O ZINC000029205364 562005114 /nfs/dbraw/zinc/00/51/14/562005114.db2.gz BTOUXBIKDFEGTL-UHFFFAOYSA-N 1 1 660.821 6.568 1 0 KKAFMO O=C(c1ccc2oc(C[N@@H+]3CCC[C@@H](n4cc(C(F)(F)F)ccc4=O)C3)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029216201 562006439 /nfs/dbraw/zinc/00/64/39/562006439.db2.gz BGUKJIRWJBBKFX-HHHXNRCGSA-N 1 1 634.655 6.212 1 0 KKAFMO CSCC[C@@H]([NH3+])C(=O)OCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029224652 562007882 /nfs/dbraw/zinc/00/78/82/562007882.db2.gz PAHOUUCJGCUYKN-JOCHJYFZSA-N 1 1 533.477 5.315 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1 ZINC000029346761 562016390 /nfs/dbraw/zinc/01/63/90/562016390.db2.gz VBJNBIZNIBCBGI-OFTUEALKSA-N 1 1 695.949 5.797 1 0 KKAFMO Nc1[nH+]ccc2ccc(Oc3ccc(F)cc3NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12 ZINC000029400154 562019545 /nfs/dbraw/zinc/01/95/45/562019545.db2.gz IJWFYXNPCKRWPH-UHFFFAOYSA-N 1 1 528.565 5.315 1 0 KKAFMO COC(=O)C(C)(C)c1nc2n(c1C[NH+]1CCC(c3ccccc3)CC1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029466891 562024480 /nfs/dbraw/zinc/02/44/80/562024480.db2.gz OBHMSBMAMKFWJD-UHFFFAOYSA-N 1 1 636.768 6.498 1 0 KKAFMO COc1ccc(OCCC[N@@H+](CCOc2ccc3c(c2)OCO3)C(C)C)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551070 562030925 /nfs/dbraw/zinc/03/09/25/562030925.db2.gz LCYJTLRSGQLOLN-SSEXGKCCSA-N 1 1 564.704 5.792 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccc(C(F)(F)F)cc1)c2NC(C)(C)CC(C)(C)C ZINC000033681441 562037393 /nfs/dbraw/zinc/03/73/93/562037393.db2.gz USUNDILBVNKFPP-UHFFFAOYSA-N 1 1 523.599 8.174 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000034657210 562039522 /nfs/dbraw/zinc/03/95/22/562039522.db2.gz IHCFTGHARRXKNR-HVNZXBJASA-N 1 1 532.681 5.521 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000034657210 562039524 /nfs/dbraw/zinc/03/95/24/562039524.db2.gz IHCFTGHARRXKNR-HVNZXBJASA-N 1 1 532.681 5.521 1 0 KKAFMO O=C1c2ccccc2S[C@H](c2ccc(Cl)cc2)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091155 562044771 /nfs/dbraw/zinc/04/47/71/562044771.db2.gz OHHAMMOVSYLWBB-HHHXNRCGSA-N 1 1 508.474 7.681 1 0 KKAFMO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]([NH2+]CCN1CCCCCC1)c1ccccc1 ZINC000034804143 562042897 /nfs/dbraw/zinc/04/28/97/562042897.db2.gz VMOJBBXFYCGPAL-QFIPXVFZSA-N 1 1 501.515 5.547 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000036089414 562046941 /nfs/dbraw/zinc/04/69/41/562046941.db2.gz GEZIALUEPSRNIP-UHFFFAOYSA-N 1 1 514.844 5.769 1 0 KKAFMO CCOc1c2ccccc2sc1C(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000036089481 562047046 /nfs/dbraw/zinc/04/70/46/562047046.db2.gz XUTRVIHVFHKDOS-UHFFFAOYSA-N 1 1 546.096 6.076 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@]12C=Cc1ccccc12 ZINC000036159578 562048319 /nfs/dbraw/zinc/04/83/19/562048319.db2.gz RWMKRGFJHUIINF-ULNHTAIJSA-N 1 1 608.652 6.860 1 0 KKAFMO Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000035953517 562045965 /nfs/dbraw/zinc/04/59/65/562045965.db2.gz KGOUUVJDLIRPDX-TZIWLTJVSA-N 1 1 514.677 5.853 3 0 KKAFMO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3CN2C)CC1 ZINC000036284693 562053299 /nfs/dbraw/zinc/05/32/99/562053299.db2.gz CXNCKVKDTNIURI-WKNISULPSA-N 1 1 634.240 5.311 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(C)=O)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331642 562056835 /nfs/dbraw/zinc/05/68/35/562056835.db2.gz JKMFUJVIEMMGEA-UHFFFAOYSA-N 1 1 579.722 6.545 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(C)=O)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331642 562056836 /nfs/dbraw/zinc/05/68/36/562056836.db2.gz JKMFUJVIEMMGEA-UHFFFAOYSA-N 1 1 579.722 6.545 1 0 KKAFMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2cccc(Cl)c2)CC1 ZINC000038139263 562062592 /nfs/dbraw/zinc/06/25/92/562062592.db2.gz DARLBPMSWYXKLJ-OAQYLSRUSA-N 1 1 556.151 5.635 3 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3ccc(C(F)(F)F)cc3)n2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000036351492 562058477 /nfs/dbraw/zinc/05/84/77/562058477.db2.gz QWGSMTMVLWLWGB-BJKOFHAPSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)C1)[C@@H]1CC[N@@H+](C2CCC(C)(C)CC2)C1 ZINC000036351492 562058479 /nfs/dbraw/zinc/05/84/79/562058479.db2.gz QWGSMTMVLWLWGB-BJKOFHAPSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000036351492 562058481 /nfs/dbraw/zinc/05/84/81/562058481.db2.gz QWGSMTMVLWLWGB-BJKOFHAPSA-N 1 1 574.692 5.337 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(OC(F)(F)F)cc4)C[C@H]23)CC1 ZINC000036351506 562058493 /nfs/dbraw/zinc/05/84/93/562058493.db2.gz CUAOLPFNRIMUNG-AVPJRLCVSA-N 1 1 569.043 5.969 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351493 562058562 /nfs/dbraw/zinc/05/85/62/562058562.db2.gz SKWFXNIWDGEMBS-ZEQRLZLVSA-N 1 1 591.744 6.070 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000036351497 562058575 /nfs/dbraw/zinc/05/85/75/562058575.db2.gz PVIPSFPLLZFEEP-WDYNHAJCSA-N 1 1 593.143 6.177 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000036351574 562058616 /nfs/dbraw/zinc/05/86/16/562058616.db2.gz ZBWCIGIECRCQTM-AVPJRLCVSA-N 1 1 503.037 5.210 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000036378316 562059651 /nfs/dbraw/zinc/05/96/51/562059651.db2.gz PODNXBRQMKYVOI-XUZZJYLKSA-N 1 1 535.681 6.526 3 0 KKAFMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2cccc(Cl)c2)CC1 ZINC000038139262 562062587 /nfs/dbraw/zinc/06/25/87/562062587.db2.gz DARLBPMSWYXKLJ-NRFANRHFSA-N 1 1 556.151 5.635 3 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000038141634 562063274 /nfs/dbraw/zinc/06/32/74/562063274.db2.gz UNKQRIKLJYKDOX-DHLKQENFSA-N 1 1 587.713 6.757 3 0 KKAFMO Cc1ccccc1/C=C/C[N@@H+]1C[C@H](C)[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)C(C)(C)c3ccccc3)C[C@@H]1C2 ZINC000038147751 562065603 /nfs/dbraw/zinc/06/56/03/562065603.db2.gz KXYZDTGXYVOHGN-YRDFSUTHSA-N 1 1 522.733 6.619 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)C[C@H](C)c2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000038148484 562065763 /nfs/dbraw/zinc/06/57/63/562065763.db2.gz IGSKGZICNGWZMH-GHRAFVERSA-N 1 1 564.748 6.764 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157517 562069194 /nfs/dbraw/zinc/06/91/94/562069194.db2.gz OIQRRPTWMZBNMA-DWACAAAGSA-N 1 1 528.759 5.323 1 0 KKAFMO C[C@@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395451 562074456 /nfs/dbraw/zinc/07/44/56/562074456.db2.gz RKTACIMPZTWTHT-BHKDYNOVSA-N 1 1 523.504 6.145 1 0 KKAFMO CC(C)(C)NC(=O)Nc1cccc2c(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)n[nH]c21 ZINC000040567077 562077971 /nfs/dbraw/zinc/07/79/71/562077971.db2.gz JMCCQVQPZUTZMI-UHFFFAOYSA-N 1 1 514.678 5.481 1 0 KKAFMO c1ccc(COc2ccc(CCC[NH+]3CCN(CCCCn4c5ccccc5c5ccccc54)CC3)cc2)cc1 ZINC000040836407 562080153 /nfs/dbraw/zinc/08/01/53/562080153.db2.gz YINAQRZLIUZONU-UHFFFAOYSA-N 1 1 531.744 7.404 1 0 KKAFMO C=CC(=O)O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040951394 562086001 /nfs/dbraw/zinc/08/60/01/562086001.db2.gz VGJPOVXZFZAYNR-PMERELPUSA-N 1 1 519.636 5.451 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952146 562086148 /nfs/dbraw/zinc/08/61/48/562086148.db2.gz HMYAEJVTRKONJY-JTHBVZDNSA-N 1 1 512.663 5.622 1 0 KKAFMO Clc1ccc(Nc2nc3ccccc3c3[nH]c(C4CC[NH+](Cc5ccccc5)CC4)nc32)cc1Cl ZINC000040954781 562086566 /nfs/dbraw/zinc/08/65/66/562086566.db2.gz JSXCNAROFOUKJW-UHFFFAOYSA-N 1 1 502.449 7.541 1 0 KKAFMO CCC(=O)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976244 562087144 /nfs/dbraw/zinc/08/71/44/562087144.db2.gz RHRXILJKQSDOMT-PMERELPUSA-N 1 1 521.652 6.195 1 0 KKAFMO O=C1CC[C@H]2O[C@@]34C=C(c5nccc6c7ccccc7[nH]c65)[C@@H]5CC[N@H+](C[C@@]56C[C@H](CC1)N2[C@H]63)CCCC/C=C\CC4 ZINC000042806732 562089782 /nfs/dbraw/zinc/08/97/82/562089782.db2.gz USCAJZIXTMHSJM-QTICBHJOSA-N 1 1 562.758 6.623 1 0 KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532563 560072542 /nfs/dbraw/zinc/07/25/42/560072542.db2.gz FCAVBRNMXYOUJA-BXNKQUFXSA-N 1 1 513.719 6.216 1 0 biogenic,in-vitro KKAFMO CC[C@H](O)[C@@H]1[C@H]2CC[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@H+]21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532453 560072615 /nfs/dbraw/zinc/07/26/15/560072615.db2.gz DZYBEBKFWODSBU-CUYIGYCPSA-N 1 1 505.655 5.269 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4CCCC4)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532515 560072778 /nfs/dbraw/zinc/07/27/78/560072778.db2.gz KOGQRPDDFFOUFA-GFWSCSJBSA-N 1 1 533.709 5.878 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532444 560072867 /nfs/dbraw/zinc/07/28/67/560072867.db2.gz VJBFPLBETNUQFQ-BALGPYATSA-N 1 1 563.735 5.241 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCCC(C)C)[C@H]2[C@@H]1C ZINC000085532447 560072877 /nfs/dbraw/zinc/07/28/77/560072877.db2.gz URVVZUHEMBRNNU-PUNCXLIBSA-N 1 1 561.763 6.685 1 0 biogenic,in-vitro KKAFMO CC(C)[C@H]1C(=O)Nc2ccc(NC3CCCCCC3)cc2-c2nc3cc(C(=O)N4CCC[N@@H+](C)CC4)ccc3n21 ZINC000043131891 562646355 /nfs/dbraw/zinc/64/63/55/562646355.db2.gz MZUNJRMUTJBHGB-LJAQVGFWSA-N 1 1 542.728 5.765 1 0 in-vitro KKAFMO C[N@@H+](C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)c(Cl)c(Cl)c4)c32)C1)C(C)(C)C ZINC000043203720 562647007 /nfs/dbraw/zinc/64/70/07/562647007.db2.gz IMDIVOQCLUSJJU-AATRIKPKSA-N 1 1 520.486 5.619 1 0 KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652379 /nfs/dbraw/zinc/65/23/79/562652379.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 1 1 580.773 5.964 1 0 KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(O)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093989 562652380 /nfs/dbraw/zinc/65/23/80/562652380.db2.gz KYLZDBBEWRTKTG-RDCDAWNOSA-N 1 1 580.773 5.964 1 0 KKAFMO O=C(CCc1ccccc1)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281237 562653013 /nfs/dbraw/zinc/65/30/13/562653013.db2.gz HMGVPHBFARTUCU-PSXMRANNSA-N 1 1 597.750 7.418 1 0 KKAFMO COc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)cc1 ZINC000044306116 562653616 /nfs/dbraw/zinc/65/36/16/562653616.db2.gz IHWOSWQIPFQQBL-UHFFFAOYSA-N 1 1 561.722 8.801 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1)[N@H+](C)CC2 ZINC000044307156 562653949 /nfs/dbraw/zinc/65/39/49/562653949.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 1 1 640.777 6.468 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1)[N@@H+](C)CC2 ZINC000044307156 562653950 /nfs/dbraw/zinc/65/39/50/562653950.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 1 1 640.777 6.468 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1)N(C)CC2 ZINC000044307156 562653951 /nfs/dbraw/zinc/65/39/51/562653951.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 1 1 640.777 6.468 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1)N(C)CC2 ZINC000044307156 562653952 /nfs/dbraw/zinc/65/39/52/562653952.db2.gz RRBKPDNMJPPISI-CONSDPRKSA-N 1 1 640.777 6.468 1 0 KKAFMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc32)ncn1 ZINC000044351241 562654505 /nfs/dbraw/zinc/65/45/05/562654505.db2.gz XVWRWBMMOYPTHB-QGZVFWFLSA-N 1 1 568.604 5.091 1 0 KKAFMO CC[N@@H+](CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCNc1ccnc2cc(Cl)ccc21 ZINC000044360453 562655584 /nfs/dbraw/zinc/65/55/84/562655584.db2.gz UFVLATWPDKBUBF-UHFFFAOYSA-N 1 1 532.916 6.090 1 0 KKAFMO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@@H]3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O ZINC000044417313 562657085 /nfs/dbraw/zinc/65/70/85/562657085.db2.gz MEFGLNPAZYTMOF-MUUNZHRXSA-N 1 1 557.610 6.637 1 0 KKAFMO CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044418477 562657275 /nfs/dbraw/zinc/65/72/75/562657275.db2.gz IQJNWNIJNCRMPS-XAGDYJCDSA-N 1 1 571.831 6.835 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000045166959 562657962 /nfs/dbraw/zinc/65/79/62/562657962.db2.gz HLMMHUFTDWSTBP-VXKWHMMOSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045166959 562657963 /nfs/dbraw/zinc/65/79/63/562657963.db2.gz HLMMHUFTDWSTBP-VXKWHMMOSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000045166959 562657964 /nfs/dbraw/zinc/65/79/64/562657964.db2.gz HLMMHUFTDWSTBP-VXKWHMMOSA-N 1 1 504.631 5.159 1 0 KKAFMO CN1CCN(CCC[NH2+]Cc2cccc(Nc3nccc(Nc4ccc(Oc5ccccc5)cc4)n3)c2)CC1 ZINC000045186751 562658186 /nfs/dbraw/zinc/65/81/86/562658186.db2.gz MVXFDLSQEPNUTP-UHFFFAOYSA-N 1 1 523.685 5.483 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCc1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000045188252 562658275 /nfs/dbraw/zinc/65/82/75/562658275.db2.gz BAKDURGNRWNMOZ-UHFFFAOYSA-N 1 1 513.465 6.644 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4cccc(F)c4)CC2)CC3)on1 ZINC000045188298 562658289 /nfs/dbraw/zinc/65/82/89/562658289.db2.gz ONMJMPRLUGZLRV-KPKJPENVSA-N 1 1 501.646 5.968 1 0 KKAFMO CC(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000045192754 562658649 /nfs/dbraw/zinc/65/86/49/562658649.db2.gz JHFJJZGSSWVLPV-DEZWEULXSA-N 1 1 531.528 6.313 1 0 KKAFMO FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)s3)[nH]c2c1 ZINC000045193131 562658683 /nfs/dbraw/zinc/65/86/83/562658683.db2.gz OZUMGQMUGXLLGC-UHFFFAOYSA-N 1 1 520.584 6.089 1 0 KKAFMO C[N@@H+](CCCCNC(=O)/C=C/c1ccccc1)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045194660 562658818 /nfs/dbraw/zinc/65/88/18/562658818.db2.gz RGKGGKGWUIXRDX-XEKAQFCISA-N 1 1 517.714 5.942 1 0 KKAFMO C[N@@H+](CCCCNC(=O)/C=C/c1ccccc1)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045194663 562658825 /nfs/dbraw/zinc/65/88/25/562658825.db2.gz RGKGGKGWUIXRDX-JPGMGBJISA-N 1 1 517.714 5.942 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(Br)cc1 ZINC000045226589 562659365 /nfs/dbraw/zinc/65/93/65/562659365.db2.gz UFDAUKUUJOMXCP-UHFFFAOYSA-N 1 1 512.879 6.063 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](c2c[nH]c3ccccc32)[C@@H](O)C1 ZINC000045202498 562659178 /nfs/dbraw/zinc/65/91/78/562659178.db2.gz KXZLPSIOZXQKOP-KBEUEFIVSA-N 1 1 500.470 5.625 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045209761 562659219 /nfs/dbraw/zinc/65/92/19/562659219.db2.gz KVVPFQGDXRKBEP-PZGXJGMVSA-N 1 1 528.524 5.449 1 0 KKAFMO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Br)cc1 ZINC000045226589 562659363 /nfs/dbraw/zinc/65/93/63/562659363.db2.gz UFDAUKUUJOMXCP-UHFFFAOYSA-N 1 1 512.879 6.063 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(Br)cc1 ZINC000045226589 562659364 /nfs/dbraw/zinc/65/93/64/562659364.db2.gz UFDAUKUUJOMXCP-UHFFFAOYSA-N 1 1 512.879 6.063 1 0 KKAFMO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045230306 562659620 /nfs/dbraw/zinc/65/96/20/562659620.db2.gz KOTJIIGMCRDILH-UHFFFAOYSA-N 1 1 519.645 6.043 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045230306 562659621 /nfs/dbraw/zinc/65/96/21/562659621.db2.gz KOTJIIGMCRDILH-UHFFFAOYSA-N 1 1 519.645 6.043 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045230306 562659622 /nfs/dbraw/zinc/65/96/22/562659622.db2.gz KOTJIIGMCRDILH-UHFFFAOYSA-N 1 1 519.645 6.043 1 0 KKAFMO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc1)CC2 ZINC000045302710 562660631 /nfs/dbraw/zinc/66/06/31/562660631.db2.gz UGZCENGMQDZDFY-XMMPIXPASA-N 1 1 522.571 5.613 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@H+]2CC[C@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045323100 562661131 /nfs/dbraw/zinc/66/11/31/562661131.db2.gz FTLGKSKBYORBFI-YUZVDCSRSA-N 1 1 512.481 5.577 1 0 KKAFMO CC(C)(C)CCN1CC[NH+](C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336855 562661415 /nfs/dbraw/zinc/66/14/15/562661415.db2.gz HAXRXMINOCSQGA-IDISGSTGSA-N 1 1 522.992 7.658 1 0 KKAFMO Cc1cc2nc(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)s3)[nH]c2cc1Cl ZINC000048307306 562662919 /nfs/dbraw/zinc/66/29/19/562662919.db2.gz BJUIFCWJLWFBGQ-UHFFFAOYSA-N 1 1 528.509 5.849 1 0 KKAFMO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000048307333 562662925 /nfs/dbraw/zinc/66/29/25/562662925.db2.gz BZORWBBHTKRSGC-RUZDIDTESA-N 1 1 546.202 6.547 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000048307302 562662966 /nfs/dbraw/zinc/66/29/66/562662966.db2.gz BXUUZIADYSJDFA-FAKWYAOSSA-N 1 1 585.498 6.846 1 0 KKAFMO CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(NCCCO)c(N)[nH+]2)cc1 ZINC000049112114 562664536 /nfs/dbraw/zinc/66/45/36/562664536.db2.gz PBMMEMHFZBWZEJ-UHFFFAOYSA-N 1 1 519.089 6.864 1 0 KKAFMO O=c1cc(NCC[C@H](C[NH2+]Cc2ccoc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605184 562665427 /nfs/dbraw/zinc/66/54/27/562665427.db2.gz QHBVPWFGGHOXDI-OAQYLSRUSA-N 1 1 574.317 5.396 1 0 KKAFMO O=C(COc1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049605208 562665532 /nfs/dbraw/zinc/66/55/32/562665532.db2.gz QMOYZQKOHFPPSJ-UHFFFAOYSA-N 1 1 576.352 6.205 1 0 KKAFMO Brc1ccc(Nc2cc[nH+]c3cc(-c4nccs4)ccc23)cc1Oc1ccnc2cc(-c3nccs3)ccc21 ZINC000049605202 562665535 /nfs/dbraw/zinc/66/55/35/562665535.db2.gz MPWCUHPBHKYSLD-UHFFFAOYSA-N 1 1 608.546 9.328 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)C(c1ccccc1)c1ccccc1)c2NC(C)(C)CC(C)(C)C ZINC000049605258 562665567 /nfs/dbraw/zinc/66/55/67/562665567.db2.gz LDXMWOUTEBDQFT-UHFFFAOYSA-N 1 1 545.727 8.674 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049605659 562666152 /nfs/dbraw/zinc/66/61/52/562666152.db2.gz ZSYUYCGOXXOFOB-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049605659 562666153 /nfs/dbraw/zinc/66/61/53/562666153.db2.gz ZSYUYCGOXXOFOB-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049605659 562666154 /nfs/dbraw/zinc/66/61/54/562666154.db2.gz ZSYUYCGOXXOFOB-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@](CC[N@H+]3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626823 562667398 /nfs/dbraw/zinc/66/73/98/562667398.db2.gz VKBOHUOLSFEMDO-UMSFTDKQSA-N 1 1 638.592 6.327 1 0 KKAFMO COC(=O)[C@@H](C)CCCCCC[C@@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049678401 562668500 /nfs/dbraw/zinc/66/85/00/562668500.db2.gz IJADPUQVQVKFSF-GCSXTMRMSA-N 1 1 537.785 7.236 1 0 KKAFMO O=C(CN(CCNc1cc[nH+]c2cc(Cl)ccc12)CC(=O)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000049694691 562669630 /nfs/dbraw/zinc/66/96/30/562669630.db2.gz LLPLMOJYPZLBJT-UHFFFAOYSA-N 1 1 640.187 8.332 1 0 KKAFMO CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c5ccc(OCCC[NH+]6CCOCC6)cc5sc4n3)cc2)no1 ZINC000049709262 562671242 /nfs/dbraw/zinc/67/12/42/562671242.db2.gz XTYUOUZSHKXIKJ-UHFFFAOYSA-N 1 1 574.707 6.247 1 0 KKAFMO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710919 562671889 /nfs/dbraw/zinc/67/18/89/562671889.db2.gz WZXINJTXKIEZPD-ILWGZMRPSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(NCCOc1ccccc1)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Br)cc4)CC3)CC2)c(Cl)c1 ZINC000049710956 562671922 /nfs/dbraw/zinc/67/19/22/562671922.db2.gz LHAVUQPAFIVICV-UHFFFAOYSA-N 1 1 613.000 5.093 1 0 KKAFMO O=C(NCCOc1ccccc1)c1cnc(N2CC[NH+](C3CCN(Cc4ccc(Br)cc4)CC3)CC2)c(Cl)c1 ZINC000049710956 562671923 /nfs/dbraw/zinc/67/19/23/562671923.db2.gz LHAVUQPAFIVICV-UHFFFAOYSA-N 1 1 613.000 5.093 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049711225 562672038 /nfs/dbraw/zinc/67/20/38/562672038.db2.gz VJIJTHLXSGTWCS-ZOXUKVPXSA-N 1 1 593.020 7.303 1 0 KKAFMO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722556 562672169 /nfs/dbraw/zinc/67/21/69/562672169.db2.gz ZTGKKBRUYNYCNY-IPMKNSEASA-N 1 1 572.364 6.586 1 0 KKAFMO C[N@@H+](CC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000049722588 562672228 /nfs/dbraw/zinc/67/22/28/562672228.db2.gz VNCKVEBEPMJERG-RQZCQDPDSA-N 1 1 538.563 7.821 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049722597 562672296 /nfs/dbraw/zinc/67/22/96/562672296.db2.gz QBCBCLXHVIYSNK-NQVJXQQZSA-N 1 1 644.728 5.594 1 0 KKAFMO COc1cc(OC[C@@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049722905 562672677 /nfs/dbraw/zinc/67/26/77/562672677.db2.gz QGWMDCQQTSZJSY-LJQANCHMSA-N 1 1 575.135 5.033 1 0 KKAFMO COc1ccc(-c2cc(C(=O)Nc3ccc(CCC[N@@H+](C)Cc4ccc(OC)c(OC)c4)cc3)c3ccccc3n2)cc1 ZINC000049723081 562672936 /nfs/dbraw/zinc/67/29/36/562672936.db2.gz PMWXQXGZYIYGGC-UHFFFAOYSA-N 1 1 575.709 7.245 1 0 KKAFMO CC[N@@H+](CC[C@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCO1)[C@@H]1C[C@H]2c3ccccc3C[C@@H]21 ZINC000049723149 562673033 /nfs/dbraw/zinc/67/30/33/562673033.db2.gz KSSAHRFJMYPTHU-GGCFOSDTSA-N 1 1 639.620 6.828 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCC[C@H]3CCC[N@H+]3C)nc21 ZINC000049723234 562673108 /nfs/dbraw/zinc/67/31/08/562673108.db2.gz UOYQTZDZPSCJOI-QGZVFWFLSA-N 1 1 574.558 5.868 1 0 KKAFMO COc1ccc(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCC([N@H+]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000049723262 562673146 /nfs/dbraw/zinc/67/31/46/562673146.db2.gz WRERHOVISNDAOC-UHFFFAOYSA-N 1 1 553.732 5.513 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744870 562673521 /nfs/dbraw/zinc/67/35/21/562673521.db2.gz LQKSVBWVXREMMV-ZCNNSNEGSA-N 1 1 555.909 6.072 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744873 562673570 /nfs/dbraw/zinc/67/35/70/562673570.db2.gz LQKSVBWVXREMMV-SLFFLAALSA-N 1 1 555.909 6.072 1 0 KKAFMO Cc1cc(C[NH2+]C[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745701 562673993 /nfs/dbraw/zinc/67/39/93/562673993.db2.gz RSQLXGHJDNEGTM-QFIPXVFZSA-N 1 1 602.371 6.013 1 0 KKAFMO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756118 562674857 /nfs/dbraw/zinc/67/48/57/562674857.db2.gz OHKVKGLOZBILIN-ZCNNSNEGSA-N 1 1 589.461 6.437 1 0 KKAFMO O=C1c2cc(OCCN3CCCCC3)ccc2-c2c1c1cc(F)ccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000049756224 562674904 /nfs/dbraw/zinc/67/49/04/562674904.db2.gz QHUWGZJPOSFFGQ-UHFFFAOYSA-N 1 1 579.716 6.982 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000049757144 562675605 /nfs/dbraw/zinc/67/56/05/562675605.db2.gz SRNHAKVSFVSSPN-UHFFFAOYSA-N 1 1 575.138 6.328 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049757284 562675841 /nfs/dbraw/zinc/67/58/41/562675841.db2.gz CVMUHXWSBHMVGZ-UHFFFAOYSA-N 1 1 541.677 5.724 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000049757502 562676060 /nfs/dbraw/zinc/67/60/60/562676060.db2.gz SSHDKAJDJAVHAF-UHFFFAOYSA-N 1 1 554.720 5.983 1 0 KKAFMO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3cc(Cl)ccc3NCc3coc4ccccc4c3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777070 562679609 /nfs/dbraw/zinc/67/96/09/562679609.db2.gz LOXBFROMTUKDRG-NDEPHWFRSA-N 1 1 712.247 6.395 1 0 KKAFMO CC[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777365 562679968 /nfs/dbraw/zinc/67/99/68/562679968.db2.gz ICNXLCSJEDSWTK-CLJLJLNGSA-N 1 1 593.775 5.297 1 0 KKAFMO Cc1nc2cc(C[C@H](C)C[N@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2o1 ZINC000049777423 562680000 /nfs/dbraw/zinc/68/00/00/562680000.db2.gz ORWKFKYYOVHTJR-FOEQRGQYSA-N 1 1 550.694 5.680 1 0 KKAFMO CC(C)C[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049780456 562681771 /nfs/dbraw/zinc/68/17/71/562681771.db2.gz INGULWRLHYWXJR-NSOVKSMOSA-N 1 1 621.829 5.933 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)c1 ZINC000049780520 562681854 /nfs/dbraw/zinc/68/18/54/562681854.db2.gz WPTWZXCEIGAYME-UHFFFAOYSA-N 1 1 552.600 8.477 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=C(C)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780765 562682259 /nfs/dbraw/zinc/68/22/59/562682259.db2.gz BADHBCVHOLJGHU-QNGWXLTQSA-N 1 1 639.878 6.264 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+]([C@@H](Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781312 562682933 /nfs/dbraw/zinc/68/29/33/562682933.db2.gz ZQRFTSWTVBQPMZ-IUKTVIPNSA-N 1 1 545.727 8.144 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCOCC5)c4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049781422 562683096 /nfs/dbraw/zinc/68/30/96/562683096.db2.gz HFSFBCFFSSYGFK-UHFFFAOYSA-N 1 1 597.723 7.257 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=C(c3ccccc3)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049783630 562683144 /nfs/dbraw/zinc/68/31/44/562683144.db2.gz QAUHOCBYVZPIDF-WBCKFURZSA-N 1 1 701.949 7.402 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784678 562683722 /nfs/dbraw/zinc/68/37/22/562683722.db2.gz UQVFTNDFYQGPRP-QNGWXLTQSA-N 1 1 639.878 6.264 1 0 in-vivo KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784942 562683850 /nfs/dbraw/zinc/68/38/50/562683850.db2.gz KRXRRXMBTCTFSD-PSXMRANNSA-N 1 1 625.851 5.874 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[N@H+]5CCCC[C@@H]5C)c(OC)cc43)ccc2s1 ZINC000049803168 562686100 /nfs/dbraw/zinc/68/61/00/562686100.db2.gz GZZGWFBVDBGCQH-IBGZPJMESA-N 1 1 534.682 6.417 1 0 KKAFMO CN(C)C(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049823287 562687190 /nfs/dbraw/zinc/68/71/90/562687190.db2.gz FKIRVEJKZMAERK-UHFFFAOYSA-N 1 1 679.833 5.722 1 0 KKAFMO CN(C)C(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049823287 562687191 /nfs/dbraw/zinc/68/71/91/562687191.db2.gz FKIRVEJKZMAERK-UHFFFAOYSA-N 1 1 679.833 5.722 1 0 KKAFMO CS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917761 562693845 /nfs/dbraw/zinc/69/38/45/562693845.db2.gz ZHDSIQJTAMFWOD-VQJSHJPSSA-N 1 1 726.943 6.848 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917959 562694168 /nfs/dbraw/zinc/69/41/68/562694168.db2.gz AGLUKBSNZHMNNX-SLFFLAALSA-N 1 1 572.364 6.586 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCOc2ccc4c(c2)CCN4C(=O)/C=C/c2ccccc2Cl)CC3)no1 ZINC000049918138 562694510 /nfs/dbraw/zinc/69/45/10/562694510.db2.gz PSVWHGVPZGXPSJ-FMIVXFBMSA-N 1 1 568.117 6.776 1 0 KKAFMO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)OCCC[N@H+]3CCc4ccccc4C3)CC2)c2ccccc12 ZINC000049942503 562695549 /nfs/dbraw/zinc/69/55/49/562695549.db2.gz NBPJPRSOJNEFIA-UHFFFAOYSA-N 1 1 640.806 5.728 1 0 KKAFMO C[C@@H](Cc1ccc2nsnc2c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049952199 562695761 /nfs/dbraw/zinc/69/57/61/562695761.db2.gz XOZBSRFGZXFGAW-GIALRWNJSA-N 1 1 553.723 5.235 1 0 KKAFMO COc1ccc2c(c1)c1c(n2Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955900 562695939 /nfs/dbraw/zinc/69/59/39/562695939.db2.gz FKSGBRHXQNWANA-UHFFFAOYSA-N 1 1 636.786 5.720 1 0 KKAFMO COc1ccc2c(c1)c1c(n2Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000052955900 562695940 /nfs/dbraw/zinc/69/59/40/562695940.db2.gz FKSGBRHXQNWANA-UHFFFAOYSA-N 1 1 636.786 5.720 1 0 KKAFMO COc1ccc(C[NH+]2CCN(C3=Nc4ccc(Br)cc4CC=C3c3ccccc3)CC2)cc1 ZINC000053259594 562696928 /nfs/dbraw/zinc/69/69/28/562696928.db2.gz UHJZMJLWCFKLSS-UHFFFAOYSA-N 1 1 502.456 5.945 1 0 KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)C[NH+]1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698187 /nfs/dbraw/zinc/69/81/87/562698187.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 1 1 564.774 6.259 1 0 in-vivo KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698188 /nfs/dbraw/zinc/69/81/88/562698188.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 1 1 564.774 6.259 1 0 in-vivo KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000058492016 562698189 /nfs/dbraw/zinc/69/81/89/562698189.db2.gz LTHULOBARTYAMF-USXRKNPRSA-N 1 1 564.774 6.259 1 0 in-vivo KKAFMO O=C(Nc1ccc(Cl)cc1)[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058660970 562701446 /nfs/dbraw/zinc/70/14/46/562701446.db2.gz ADEJRCDYIZQEHV-GOTSBHOMSA-N 1 1 551.043 5.017 1 0 KKAFMO C[N@@H+]1CC(=Cc2ccc(Br)cc2)C2=NC(=S)N[C@H](c3ccc(Br)cc3)C2C1 ZINC000059316067 562701970 /nfs/dbraw/zinc/70/19/70/562701970.db2.gz APLLUVWRENDFQK-JVVYVMHDSA-N 1 1 505.279 5.014 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000059686606 562702129 /nfs/dbraw/zinc/70/21/29/562702129.db2.gz IPQMMHOXXCGSDM-BDTNDASRSA-N 1 1 571.471 6.298 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796540 562702411 /nfs/dbraw/zinc/70/24/11/562702411.db2.gz AWQTVWMPPTYLII-HXUOFSJXSA-N 1 1 510.603 7.789 3 0 KKAFMO C[N@H+]1C[C@@H]2CC[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447949 562705432 /nfs/dbraw/zinc/70/54/32/562705432.db2.gz AULMPUHJUBFVEB-VXKWHMMOSA-N 1 1 530.611 5.424 1 0 KKAFMO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1F ZINC000064453803 562705669 /nfs/dbraw/zinc/70/56/69/562705669.db2.gz XXUPDWIGWMMESL-OALUTQOASA-N 1 1 534.574 5.173 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1F ZINC000064453803 562705670 /nfs/dbraw/zinc/70/56/70/562705670.db2.gz XXUPDWIGWMMESL-OALUTQOASA-N 1 1 534.574 5.173 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2CC[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513189 562706339 /nfs/dbraw/zinc/70/63/39/562706339.db2.gz MCMTZESNVUUXPH-WBJKNQCFSA-N 1 1 638.247 7.285 1 0 KKAFMO COCCC(=O)N1CCN(c2ccc(Nc3cc[nH+]c4ccc(-c5cnc6ccccc6c5)cc34)cc2C(F)(F)F)CC1 ZINC000064539674 562707586 /nfs/dbraw/zinc/70/75/86/562707586.db2.gz VHLFKLWNRISGKS-UHFFFAOYSA-N 1 1 585.630 6.898 1 0 KKAFMO O=C(/C=C/c1ccccc1)NCCC[C@@H]1CCC[N@H+](CCCCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000064585827 562708803 /nfs/dbraw/zinc/70/88/03/562708803.db2.gz MTIBFGQHSSIDCG-KKWWPJITSA-N 1 1 556.578 6.615 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCC3CCCCC3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079083 562710588 /nfs/dbraw/zinc/71/05/88/562710588.db2.gz MTDWSEHSHFRGKO-QFIPXVFZSA-N 1 1 558.598 5.874 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCC3CCCCC3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079083 562710589 /nfs/dbraw/zinc/71/05/89/562710589.db2.gz MTDWSEHSHFRGKO-QFIPXVFZSA-N 1 1 558.598 5.874 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098897 562711010 /nfs/dbraw/zinc/71/10/10/562711010.db2.gz OISSAGDOBVXRAL-YTTGMZPUSA-N 1 1 592.788 5.610 1 0 KKAFMO Cc1ccc(Nc2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CC[NH+](C)CC3)n2)cc1 ZINC000066104981 562711813 /nfs/dbraw/zinc/71/18/13/562711813.db2.gz DRIPUVZVZIMASL-UHFFFAOYSA-N 1 1 552.086 6.364 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138367 562713293 /nfs/dbraw/zinc/71/32/93/562713293.db2.gz GDJZYFWFJVXXLZ-YDPTYEFTSA-N 1 1 630.025 6.429 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066156382 562713739 /nfs/dbraw/zinc/71/37/39/562713739.db2.gz ZBSMIXMEGWTGMY-KTYLLXISSA-N 1 1 583.773 6.225 3 0 KKAFMO CN(C[C@H]1CCCC[N@H+]1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252069 562714615 /nfs/dbraw/zinc/71/46/15/562714615.db2.gz JYLAXWCUPMUZAQ-OAQYLSRUSA-N 1 1 593.620 6.179 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066259543 562715307 /nfs/dbraw/zinc/71/53/07/562715307.db2.gz WDAUQWAZXNSETB-UHFFFAOYSA-N 1 1 512.695 5.099 1 0 KKAFMO CC[NH2+][C@@H](NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC ZINC000067983882 562715644 /nfs/dbraw/zinc/71/56/44/562715644.db2.gz VPYUWYGKAFARRA-BZGHNINDSA-N 1 1 666.907 5.890 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 562715683 /nfs/dbraw/zinc/71/56/83/562715683.db2.gz JJAGNYYMNCBVTP-FITHBNAOSA-N 1 1 679.809 6.566 1 0 KKAFMO Cc1cc(Cl)c(OCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3C(=O)N(Cc3cc(CNCCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000068077998 562715734 /nfs/dbraw/zinc/71/57/34/562715734.db2.gz LDHQAYBINPIZLI-WDYNHAJCSA-N 1 1 663.061 7.356 1 0 KKAFMO 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 562715774 /nfs/dbraw/zinc/71/57/74/562715774.db2.gz ICCARDNTCOUOPW-DHUJRADRSA-N 1 1 735.319 6.996 1 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)CCCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071294346 562716844 /nfs/dbraw/zinc/71/68/44/562716844.db2.gz VIXJWHYOARGMSA-ZCBCEXPUSA-N 1 1 604.945 7.678 1 0 KKAFMO COc1ccccc1C[N@@H+](C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35C(=O)C[C@]12C)CC[C@@H]1N=C(C(C)C)SC[C@@]41C ZINC000071294820 562716973 /nfs/dbraw/zinc/71/69/73/562716973.db2.gz BSACLFCWNMRHBP-DRFRAUJUSA-N 1 1 606.917 7.254 1 0 KKAFMO Cc1nc2cc(S(C)(=O)=O)ccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071295646 562717299 /nfs/dbraw/zinc/71/72/99/562717299.db2.gz CDLAAOWTOVRSST-BETPUDKTSA-N 1 1 610.824 6.180 1 0 KKAFMO COc1cccc(C[N@@H+](C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)c1 ZINC000071296162 562717423 /nfs/dbraw/zinc/71/74/23/562717423.db2.gz MNADYPWSJDDNJK-SGOUQRLHSA-N 1 1 606.917 7.254 1 0 KKAFMO COc1ccc(CC[N@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(OC(F)(F)F)cc3)C2)cc1OC ZINC000071318559 562718560 /nfs/dbraw/zinc/71/85/60/562718560.db2.gz OHNGJFIXSGSZJL-WIOPSUGQSA-N 1 1 563.016 5.944 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CCC[N@H+](C)C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333992 562719520 /nfs/dbraw/zinc/71/95/20/562719520.db2.gz DUVCBEMHQGRCPF-TUXGATLDSA-N 1 1 578.835 5.167 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CCC[N@@H+](C)C[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333992 562719521 /nfs/dbraw/zinc/71/95/21/562719521.db2.gz DUVCBEMHQGRCPF-TUXGATLDSA-N 1 1 578.835 5.167 1 0 KKAFMO C[N@@H+]1CC(=Cc2cccc(Br)c2)C2=NC(=S)N[C@@H](c3cccc(Br)c3)C2C1 ZINC000071340452 562719775 /nfs/dbraw/zinc/71/97/75/562719775.db2.gz SCXAFDGHPIMNIR-UCSSQIFYSA-N 1 1 505.279 5.014 1 0 KKAFMO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340503 562719778 /nfs/dbraw/zinc/71/97/78/562719778.db2.gz NGOUBZNVARCMNU-UQTDQPHJSA-N 1 1 509.009 6.114 1 0 KKAFMO COc1ccc(OC)c(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2cc(OC)ccc2OC)c1 ZINC000071340436 562719781 /nfs/dbraw/zinc/71/97/81/562719781.db2.gz ZDYLNWFDNYBRBU-CGVHCUEWSA-N 1 1 543.689 5.093 1 0 KKAFMO COc1ccc(OC)c(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2cc(OC)ccc2OC)c1 ZINC000071340436 562719782 /nfs/dbraw/zinc/71/97/82/562719782.db2.gz ZDYLNWFDNYBRBU-CGVHCUEWSA-N 1 1 543.689 5.093 1 0 KKAFMO C[N@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)c6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072104688 562720566 /nfs/dbraw/zinc/72/05/66/562720566.db2.gz ZEOYBQVWWGPAIM-UHFFFAOYSA-N 1 1 587.634 6.720 1 0 KKAFMO CC(=O)N(C)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110794 562721849 /nfs/dbraw/zinc/72/18/49/562721849.db2.gz OHBGZKGQZMYAOO-GKRYNVPLSA-N 1 1 614.221 7.045 1 0 KKAFMO C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H](C)C[N@@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112345 562722064 /nfs/dbraw/zinc/72/20/64/562722064.db2.gz IYHGEKFCMCXIEF-AIQQMPNKSA-N 1 1 624.810 6.132 1 0 KKAFMO C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112345 562722065 /nfs/dbraw/zinc/72/20/65/562722065.db2.gz IYHGEKFCMCXIEF-AIQQMPNKSA-N 1 1 624.810 6.132 1 0 KKAFMO Clc1ccc2c(c1)[nH+]c1c(c2NCCCCCCCNc2c3c(nc4ccccc42)-c2ccccc2C3)CCCC1 ZINC000072113149 562722282 /nfs/dbraw/zinc/72/22/82/562722282.db2.gz ASEDWXNMPGNYLM-UHFFFAOYSA-N 1 1 561.173 9.361 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113704 562722475 /nfs/dbraw/zinc/72/24/75/562722475.db2.gz XDPKSAYRAZVCPX-GVLRJBGTSA-N 1 1 553.791 7.662 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114808 562722816 /nfs/dbraw/zinc/72/28/16/562722816.db2.gz DKXHFFZMSYMRIM-ZWXJPIIXSA-N 1 1 609.598 6.498 1 0 KKAFMO O=C1N(CCN2CC[NH+](CCN3CCN(Cc4cccc(Oc5ccccc5)c4)C3=O)CC2)CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000072118961 562723703 /nfs/dbraw/zinc/72/37/03/562723703.db2.gz LGJMVPOJBZAGDI-UHFFFAOYSA-N 1 1 674.846 6.064 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(C)cc5)nc(-c5ccc6[nH]c(C)c(C)c6c5)c4)CC3)CC2)CC1 ZINC000072123685 562724828 /nfs/dbraw/zinc/72/48/28/562724828.db2.gz SKMRGHXUYNBPNH-UHFFFAOYSA-N 1 1 660.863 5.829 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127670 562725781 /nfs/dbraw/zinc/72/57/81/562725781.db2.gz XLLCULDIIKOUKO-ZYADHFCISA-N 1 1 676.053 6.857 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127719 562725825 /nfs/dbraw/zinc/72/58/25/562725825.db2.gz URKCJPXHIQHWTQ-WISKXVKBSA-N 1 1 728.041 6.074 3 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(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 562726449 /nfs/dbraw/zinc/72/64/49/562726449.db2.gz HLKCUDXXFULFRD-MVIDNBQJSA-N 1 1 654.891 6.200 1 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(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 562726450 /nfs/dbraw/zinc/72/64/50/562726450.db2.gz HLKCUDXXFULFRD-MVIDNBQJSA-N 1 1 654.891 6.200 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129927 562726597 /nfs/dbraw/zinc/72/65/97/562726597.db2.gz FDOKOHKREXFVQN-ZVBBVAIHSA-N 1 1 698.692 6.870 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072137720 562728354 /nfs/dbraw/zinc/72/83/54/562728354.db2.gz INQGVWVTBPOLPM-BBACVFHCSA-N 1 1 662.026 6.467 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072137831 562728461 /nfs/dbraw/zinc/72/84/61/562728461.db2.gz NUIDQNYFRIEMCS-BHSUFKTOSA-N 1 1 585.972 6.030 3 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@H](F)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072142884 562729683 /nfs/dbraw/zinc/72/96/83/562729683.db2.gz TYPVIAFFRFMVRU-BVDUFFPGSA-N 1 1 658.249 7.385 1 0 KKAFMO C[C@H](Nc1cc(N2CCC[C@H]([N@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198247 562735612 /nfs/dbraw/zinc/73/56/12/562735612.db2.gz FJAVFDVEPOTXLF-CUNXSJBXSA-N 1 1 525.100 6.392 1 0 KKAFMO C[N@@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 ZINC000073198355 562735667 /nfs/dbraw/zinc/73/56/67/562735667.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 1 1 514.505 5.384 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 ZINC000073198355 562735668 /nfs/dbraw/zinc/73/56/68/562735668.db2.gz UGQYADUSXPVDCW-QHCPKHFHSA-N 1 1 514.505 5.384 1 0 KKAFMO C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)n1 ZINC000073200518 562736164 /nfs/dbraw/zinc/73/61/64/562736164.db2.gz SRSGYLCJGXDIJZ-UHFFFAOYSA-N 1 1 529.303 6.073 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369117 562738350 /nfs/dbraw/zinc/73/83/50/562738350.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369117 562738351 /nfs/dbraw/zinc/73/83/51/562738351.db2.gz VUZCEBRTLDDSDP-URLMMPGGSA-N 1 1 606.719 6.874 1 0 KKAFMO CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5n[nH]c(C(F)(F)F)c5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)C[NH2+][C@H]1[C@H]2C ZINC000073394769 562738637 /nfs/dbraw/zinc/73/86/37/562738637.db2.gz PDOFXKOCNJWKCT-JZZDDDOBSA-N 1 1 517.680 6.468 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(F)c2)n1 ZINC000084596539 562743725 /nfs/dbraw/zinc/74/37/25/562743725.db2.gz CMGUYVDMQMOPPS-BJKOFHAPSA-N 1 1 542.621 5.957 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000084632111 562745450 /nfs/dbraw/zinc/74/54/50/562745450.db2.gz AHPRRLHNTJTUJE-BJKOFHAPSA-N 1 1 575.531 6.986 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(Cl)c2)n1 ZINC000084634586 562745904 /nfs/dbraw/zinc/74/59/04/562745904.db2.gz UGINLDOCQNRWSG-BJKOFHAPSA-N 1 1 559.076 6.472 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670394 562748229 /nfs/dbraw/zinc/74/82/29/562748229.db2.gz BXEHYDYEJHQFHL-VCGHIGGDSA-N 1 1 668.024 9.553 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670394 562748230 /nfs/dbraw/zinc/74/82/30/562748230.db2.gz BXEHYDYEJHQFHL-VCGHIGGDSA-N 1 1 668.024 9.553 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758699 562752707 /nfs/dbraw/zinc/75/27/07/562752707.db2.gz WKRONHOUGWHKTJ-MUUNZHRXSA-N 1 1 574.844 9.364 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758699 562752708 /nfs/dbraw/zinc/75/27/08/562752708.db2.gz WKRONHOUGWHKTJ-MUUNZHRXSA-N 1 1 574.844 9.364 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758698 562752730 /nfs/dbraw/zinc/75/27/30/562752730.db2.gz WKRONHOUGWHKTJ-NDEPHWFRSA-N 1 1 574.844 9.364 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1 ZINC000084758698 562752731 /nfs/dbraw/zinc/75/27/31/562752731.db2.gz WKRONHOUGWHKTJ-NDEPHWFRSA-N 1 1 574.844 9.364 1 0 KKAFMO COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884072 562753107 /nfs/dbraw/zinc/75/31/07/562753107.db2.gz DAGRHBYUCYVLNY-FQLXRVMXSA-N 1 1 536.503 6.041 1 0 KKAFMO [NH3+]CC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095535868 562753887 /nfs/dbraw/zinc/75/38/87/562753887.db2.gz KEDDGIDZMJSBEW-PXLJZGITSA-N 1 1 791.731 6.148 1 0 investigational KKAFMO CC[N@H+](C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1 ZINC000095538113 562754491 /nfs/dbraw/zinc/75/44/91/562754491.db2.gz CSWTXNVAULACPE-QPPIDDCLSA-N 1 1 806.023 8.455 1 0 KKAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3cc(Br)c(F)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000095538508 562754858 /nfs/dbraw/zinc/75/48/58/562754858.db2.gz LTEXZTPLPDGYGM-LKOFHKMLSA-N 1 1 738.906 5.370 1 0 KKAFMO O=C(NCc1ccccc1)c1ncn(CCCN2CCC([NH+]3CCCC3)CC2)c1-c1ccc(Cl)c(Cl)c1 ZINC000095544081 562757603 /nfs/dbraw/zinc/75/76/03/562757603.db2.gz WZCHWRANTIUHSK-UHFFFAOYSA-N 1 1 540.539 5.737 1 0 KKAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C ZINC000095546173 562758356 /nfs/dbraw/zinc/75/83/56/562758356.db2.gz MJVSIMVXDIEJOG-BMYMHALSSA-N 1 1 810.396 5.171 1 0 KKAFMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc3c(=O)cc(CCc4cccc(F)c4F)n(CC(=O)N(C)Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3n2)cc1 ZINC000095549145 562759791 /nfs/dbraw/zinc/75/97/91/562759791.db2.gz NEYXJVNPYRXVSK-GDLZYMKVSA-N 1 1 764.839 9.456 1 0 KKAFMO CN1CCN(C2=Nc3cc(Cl)ccc3N(C(=O)CCCCCCCCC(=O)N3c4ccc(Cl)cc4N=C(N4CC[NH+](C)CC4)c4ccccc43)c3ccccc32)CC1 ZINC000095550333 562760097 /nfs/dbraw/zinc/76/00/97/562760097.db2.gz PEXULPFPDMJMCB-UHFFFAOYSA-N 1 1 819.882 9.422 1 0 KKAFMO Nc1sc(-c2ccc(Cl)cc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095553830 562761117 /nfs/dbraw/zinc/76/11/17/562761117.db2.gz NHYRZGJFVZOROT-UHFFFAOYSA-N 1 1 522.501 6.857 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(OC)cc1 ZINC000095555134 562761490 /nfs/dbraw/zinc/76/14/90/562761490.db2.gz QATULURJPCDVNM-JKENOGCRSA-N 1 1 659.893 6.739 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095565122 562764566 /nfs/dbraw/zinc/76/45/66/562764566.db2.gz GQPLODGYDYCVNT-LPBFERMMSA-N 1 1 650.625 5.084 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095565510 562764652 /nfs/dbraw/zinc/76/46/52/562764652.db2.gz QZVOXXCTPHCQDU-GNMOFYLKSA-N 1 1 575.672 5.576 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566668 562765160 /nfs/dbraw/zinc/76/51/60/562765160.db2.gz GFVUFKNBVACWEX-UTKFAANNSA-N 1 1 586.777 6.145 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccc(-c3ccccc3)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095566721 562765189 /nfs/dbraw/zinc/76/51/89/562765189.db2.gz KVYAACMVUJNJTK-INEJIFKHSA-N 1 1 611.743 5.955 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095566849 562765291 /nfs/dbraw/zinc/76/52/91/562765291.db2.gz OFNMEGUDOANJDK-DVHCVUMVSA-N 1 1 576.565 5.864 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566817 562765334 /nfs/dbraw/zinc/76/53/34/562765334.db2.gz MLNWPGCJBNVZPL-PYAKLNENSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566817 562765335 /nfs/dbraw/zinc/76/53/35/562765335.db2.gz MLNWPGCJBNVZPL-PYAKLNENSA-N 1 1 706.265 5.327 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095567001 562765446 /nfs/dbraw/zinc/76/54/46/562765446.db2.gz BWUBMXZZYOWTMV-MWXNICTNSA-N 1 1 628.692 5.639 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567031 562765449 /nfs/dbraw/zinc/76/54/49/562765449.db2.gz DEMCBGNJFOTASI-WAPJKPAKSA-N 1 1 638.589 5.214 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567056 562765505 /nfs/dbraw/zinc/76/55/05/562765505.db2.gz UIWHTZIAIXNFGN-SFXKCFQESA-N 1 1 718.880 6.249 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095567310 562765691 /nfs/dbraw/zinc/76/56/91/562765691.db2.gz HOBLGNRWGMWRGX-SUERDDPBSA-N 1 1 789.971 6.389 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095567673 562765989 /nfs/dbraw/zinc/76/59/89/562765989.db2.gz QLYAZMSBNLAUET-LFQYBHLRSA-N 1 1 692.842 5.735 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568014 562766248 /nfs/dbraw/zinc/76/62/48/562766248.db2.gz LMVYLEREBXGKHC-DXZWXPFGSA-N 1 1 652.792 6.413 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568405 562766647 /nfs/dbraw/zinc/76/66/47/562766647.db2.gz CDIQXANOTLSTIU-SUGNLBTMSA-N 1 1 714.867 6.599 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568538 562766724 /nfs/dbraw/zinc/76/67/24/562766724.db2.gz IVGISJLMDFIDFY-IZVMNLJQSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568560 562766764 /nfs/dbraw/zinc/76/67/64/562766764.db2.gz DEMCBGNJFOTASI-LNIFMVABSA-N 1 1 638.589 5.214 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568835 562766944 /nfs/dbraw/zinc/76/69/44/562766944.db2.gz GFBGNCUTLBGSKQ-AWYDNWMNSA-N 1 1 690.763 7.423 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095569688 562767593 /nfs/dbraw/zinc/76/75/93/562767593.db2.gz RZRAZDHUSITVCK-WTBTXGFSSA-N 1 1 656.828 5.327 1 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570329 562768100 /nfs/dbraw/zinc/76/81/00/562768100.db2.gz SRAYVMPNBAVWRU-WISKXVKBSA-N 1 1 646.027 6.761 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095570513 562768253 /nfs/dbraw/zinc/76/82/53/562768253.db2.gz ACSVFUACEODJDN-PNRGXICFSA-N 1 1 594.712 5.478 3 0 KKAFMO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570630 562768303 /nfs/dbraw/zinc/76/83/03/562768303.db2.gz GJHPJKJHWVCAHT-QRIZJJBVSA-N 1 1 704.022 6.326 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095570688 562768386 /nfs/dbraw/zinc/76/83/86/562768386.db2.gz ZZFLVVQZHZTAAM-MJZSVGSSSA-N 1 1 666.860 6.367 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095570792 562768494 /nfs/dbraw/zinc/76/84/94/562768494.db2.gz IQSVNIDGIMJPQN-BCIXQDHQSA-N 1 1 592.740 5.282 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570843 562768558 /nfs/dbraw/zinc/76/85/58/562768558.db2.gz VYACBIYDVUCBDQ-BCRFLOQVSA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095570994 562768684 /nfs/dbraw/zinc/76/86/84/562768684.db2.gz UUCMFHNJLLHFQV-AHYUKCMYSA-N 1 1 598.788 6.160 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571086 562768801 /nfs/dbraw/zinc/76/88/01/562768801.db2.gz MLZGHAQZJXEDIV-XUJRGEPCSA-N 1 1 636.793 6.287 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571122 562768805 /nfs/dbraw/zinc/76/88/05/562768805.db2.gz GDLSESYYEZMWDL-UNTHUGQZSA-N 1 1 697.799 6.167 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095571148 562768858 /nfs/dbraw/zinc/76/88/58/562768858.db2.gz DOYVPIVJJALYPS-UETOGOEVSA-N 1 1 604.714 6.011 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571294 562768973 /nfs/dbraw/zinc/76/89/73/562768973.db2.gz CGLNLVFPHXEQAP-KFDHSVMUSA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571489 562769060 /nfs/dbraw/zinc/76/90/60/562769060.db2.gz HPUMWFTUTXMAAY-GJCZEXATSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571489 562769061 /nfs/dbraw/zinc/76/90/61/562769061.db2.gz HPUMWFTUTXMAAY-GJCZEXATSA-N 1 1 613.780 5.507 1 0 KKAFMO CCN(CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095577386 562770952 /nfs/dbraw/zinc/77/09/52/562770952.db2.gz GULDRVQQCVWSCP-UHFFFAOYSA-N 1 1 513.711 6.390 1 0 KKAFMO CCC[S@@](=O)c1csc2cc(-c3nc(-c4ccc(OCC[NH+](C)C)cc4)[nH]c3-c3ccncc3)ccc21 ZINC000095588279 562774593 /nfs/dbraw/zinc/77/45/93/562774593.db2.gz WKLVMJVNYVQWTB-QNGWXLTQSA-N 1 1 530.719 6.478 1 0 KKAFMO CCCSc1csc2cc(-c3nc(-c4ccc(OCC[NH+](C)C)cc4)[nH]c3-c3ccncc3)ccc12 ZINC000095589272 562774881 /nfs/dbraw/zinc/77/48/81/562774881.db2.gz NLYBWVPTNPCBDH-UHFFFAOYSA-N 1 1 514.720 7.463 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2ncc(C[NH+]3CCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000095591194 562775534 /nfs/dbraw/zinc/77/55/34/562775534.db2.gz HTJMBMJRFJFUIP-UHFFFAOYSA-N 1 1 673.780 7.738 1 0 KKAFMO C[N@H+]1C[C@H](c2ccc(N3CCOCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095592247 562775862 /nfs/dbraw/zinc/77/58/62/562775862.db2.gz RWRKAJXZXZWJCT-FNTODRPOSA-N 1 1 514.625 5.223 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@@H]4CC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596261 562776936 /nfs/dbraw/zinc/77/69/36/562776936.db2.gz WFDZHDAVQXLZFZ-OAQYLSRUSA-N 1 1 518.610 5.118 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095598724 562777485 /nfs/dbraw/zinc/77/74/85/562777485.db2.gz LZRMYYQDLQFCEK-LARQVZHXSA-N 1 1 728.809 7.006 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598882 562777632 /nfs/dbraw/zinc/77/76/32/562777632.db2.gz QMCFBRPLMVFDBX-GJWZSCNASA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCOCC3)cccc2C1=O ZINC000095598862 562777651 /nfs/dbraw/zinc/77/76/51/562777651.db2.gz CCYKTEMVMBOJBS-BRUQSJHLSA-N 1 1 601.744 5.196 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095599238 562777901 /nfs/dbraw/zinc/77/79/01/562777901.db2.gz OCOAZZWZFVYNQI-BEAGFIRGSA-N 1 1 670.678 7.173 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599280 562777916 /nfs/dbraw/zinc/77/79/16/562777916.db2.gz LFZLAWVTNRSJHJ-BYIYZAFRSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599505 562778095 /nfs/dbraw/zinc/77/80/95/562778095.db2.gz BXFZIXJRVHHTCE-CYCDCDHJSA-N 1 1 678.336 6.448 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095599542 562778185 /nfs/dbraw/zinc/77/81/85/562778185.db2.gz ZMUNMDKTHUEIDP-XLCATFGMSA-N 1 1 645.797 5.575 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599622 562778210 /nfs/dbraw/zinc/77/82/10/562778210.db2.gz QMCFBRPLMVFDBX-CZWSTMTISA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095600143 562778632 /nfs/dbraw/zinc/77/86/32/562778632.db2.gz QZVOXXCTPHCQDU-FYQCMVGJSA-N 1 1 575.672 5.576 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600148 562778638 /nfs/dbraw/zinc/77/86/38/562778638.db2.gz XMCNJBIDJBGVOV-BUACAMDTSA-N 1 1 716.297 5.797 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600090 562778650 /nfs/dbraw/zinc/77/86/50/562778650.db2.gz ZBBNPLMVFVREHD-IQRSPBMWSA-N 1 1 719.867 6.742 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095600573 562779059 /nfs/dbraw/zinc/77/90/59/562779059.db2.gz KVYNYDNSHYPGTF-IAYPMUAMSA-N 1 1 669.785 6.885 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600641 562779126 /nfs/dbraw/zinc/77/91/26/562779126.db2.gz NNHYDAJISGOSNF-BNJCFXFUSA-N 1 1 654.151 5.441 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600985 562779359 /nfs/dbraw/zinc/77/93/59/562779359.db2.gz ZKPAWGOFKUDAFA-GHTOCUPCSA-N 1 1 685.788 6.672 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604541 562781023 /nfs/dbraw/zinc/78/10/23/562781023.db2.gz WOMGVMCAFXSGAU-ZQWQDMLBSA-N 1 1 696.043 6.663 3 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604567 562781070 /nfs/dbraw/zinc/78/10/70/562781070.db2.gz UIKXZKCHSBRXDR-NSWWAWACSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604636 562781127 /nfs/dbraw/zinc/78/11/27/562781127.db2.gz CHFYKRHHVBHPRB-OJQFFXEZSA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604828 562781195 /nfs/dbraw/zinc/78/11/95/562781195.db2.gz CHFYKRHHVBHPRB-FXKJGQKXSA-N 1 1 685.693 7.565 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605721 562781663 /nfs/dbraw/zinc/78/16/63/562781663.db2.gz UQRVVYXDOOLUAO-GAQVVXLESA-N 1 1 723.830 6.573 1 0 KKAFMO CCc1cc(Cc2ccccc2)n(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000095606353 562782053 /nfs/dbraw/zinc/78/20/53/562782053.db2.gz VRQFNMMHPRKRCS-KGJXQKDRSA-N 1 1 568.806 6.422 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680092 562788397 /nfs/dbraw/zinc/78/83/97/562788397.db2.gz AYFIOZIDKGBGDF-QLVXXPONSA-N 1 1 602.757 5.563 1 0 KKAFMO COc1ccccc1C[N@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2OC[C@H]1C ZINC000095687717 562788405 /nfs/dbraw/zinc/78/84/05/562788405.db2.gz QEJGVNQBRZVANF-CEFNRUSXSA-N 1 1 590.721 5.354 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693862 562788488 /nfs/dbraw/zinc/78/84/88/562788488.db2.gz DHPIXDXHWYRYQT-OXYPMYLPSA-N 1 1 573.738 5.286 1 0 KKAFMO CCC[N@@H+](C)C[C@@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095772096 562788967 /nfs/dbraw/zinc/78/89/67/562788967.db2.gz ZDZLFJDSEKLXNO-PUMORYBASA-N 1 1 586.749 5.607 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095819229 562789205 /nfs/dbraw/zinc/78/92/05/562789205.db2.gz JQXCVRFSCSGTFT-ZQLNOWDWSA-N 1 1 634.626 5.384 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825575 562789321 /nfs/dbraw/zinc/78/93/21/562789321.db2.gz NNHYDAJISGOSNF-GVNDJSPXSA-N 1 1 654.151 5.441 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095832821 562789343 /nfs/dbraw/zinc/78/93/43/562789343.db2.gz RCFXVEPLISCIDK-DLEQGYHRSA-N 1 1 618.562 5.523 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095852419 562789578 /nfs/dbraw/zinc/78/95/78/562789578.db2.gz ACXUGZGLDHOICK-GWZRSYOGSA-N 1 1 637.843 5.415 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095861272 562789692 /nfs/dbraw/zinc/78/96/92/562789692.db2.gz JXVCNLJRMRUZKV-MEOLXUPJSA-N 1 1 681.852 5.144 1 0 KKAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cccc(OCC[NH+]4CCN(C)CC4)c3)nc12 ZINC000096167718 562790539 /nfs/dbraw/zinc/79/05/39/562790539.db2.gz KTLXWFMMAMKHPS-UHFFFAOYSA-N 1 1 523.468 5.677 1 0 KKAFMO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174202 562791778 /nfs/dbraw/zinc/79/17/78/562791778.db2.gz DPZYBMURJGUYOT-DIPNUNPCSA-N 1 1 645.739 5.419 1 0 KKAFMO CC[N@@H+](CCO)CCOc1ccc(-c2cc3c(ncnc3NCCc3ccc(NC(=O)Nc4ccccc4)cc3)o2)cc1 ZINC000096272639 562794172 /nfs/dbraw/zinc/79/41/72/562794172.db2.gz MGYRISCZOPEGNR-UHFFFAOYSA-N 1 1 580.689 5.881 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302066 562796274 /nfs/dbraw/zinc/79/62/74/562796274.db2.gz NGQNBQOIRABSGM-KZDQMGDASA-N 1 1 586.796 6.561 1 0 KKAFMO COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@H+](C)CC2)CCN1C ZINC000096887222 562796641 /nfs/dbraw/zinc/79/66/41/562796641.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 1 1 608.735 6.859 1 0 KKAFMO COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3[N@@H+](C)CC2)CCN1C ZINC000096887222 562796642 /nfs/dbraw/zinc/79/66/42/562796642.db2.gz DGAIZFTYTKDOEN-WDYNHAJCSA-N 1 1 608.735 6.859 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000096901510 562797099 /nfs/dbraw/zinc/79/70/99/562797099.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 1 1 791.739 9.136 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000096901510 562797100 /nfs/dbraw/zinc/79/71/00/562797100.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 1 1 791.739 9.136 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000096901510 562797101 /nfs/dbraw/zinc/79/71/01/562797101.db2.gz VFYRHFIAVBNAOB-OIDHKYIRSA-N 1 1 791.739 9.136 1 0 KKAFMO CN(C[C@@H](CC[NH+]1CCC(c2ccccc2S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc21 ZINC000096903702 562797977 /nfs/dbraw/zinc/79/79/77/562797977.db2.gz HNEQXRQEHKXJPY-HHHXNRCGSA-N 1 1 623.646 7.676 1 0 KKAFMO CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903987 562798082 /nfs/dbraw/zinc/79/80/82/562798082.db2.gz VXMVWENUTABJOM-YAFDPGIASA-N 1 1 582.711 5.915 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907735 562799199 /nfs/dbraw/zinc/79/91/99/562799199.db2.gz IZDKLOCKHFWMCL-QNLPTKCRSA-N 1 1 588.546 5.445 1 0 KKAFMO CC[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908702 562799408 /nfs/dbraw/zinc/79/94/08/562799408.db2.gz WCVXUDKCXLFZCX-HKKYMVHVSA-N 1 1 668.735 7.168 1 0 KKAFMO CC[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908702 562799409 /nfs/dbraw/zinc/79/94/09/562799409.db2.gz WCVXUDKCXLFZCX-HKKYMVHVSA-N 1 1 668.735 7.168 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908950 562799459 /nfs/dbraw/zinc/79/94/59/562799459.db2.gz UREPPIQHESDSLK-HSZRJFAPSA-N 1 1 610.784 7.504 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000096913930 562800543 /nfs/dbraw/zinc/80/05/43/562800543.db2.gz YICKNFHZDRUFTL-HHHXNRCGSA-N 1 1 526.633 5.655 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000096913930 562800544 /nfs/dbraw/zinc/80/05/44/562800544.db2.gz YICKNFHZDRUFTL-HHHXNRCGSA-N 1 1 526.633 5.655 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932312 562803364 /nfs/dbraw/zinc/80/33/64/562803364.db2.gz NVLKRTHPAPBBFA-UHFFFAOYSA-N 1 1 626.660 6.729 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(Cc4ccc(Cl)cc4)c3=O)CC1)CC2 ZINC000096933822 562803695 /nfs/dbraw/zinc/80/36/95/562803695.db2.gz OJOXBEYKXCKEHX-VWLOTQADSA-N 1 1 552.502 6.500 1 0 KKAFMO COc1cc2c(cc1OC)[C@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(Cc4ccccc4)c3=O)CC1)CC2 ZINC000096933819 562803700 /nfs/dbraw/zinc/80/37/00/562803700.db2.gz BBEISJPSBPPWFP-RUZDIDTESA-N 1 1 518.057 5.846 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(Cc4ccccc4)c3=O)CC1)CC2 ZINC000096933820 562803718 /nfs/dbraw/zinc/80/37/18/562803718.db2.gz BBEISJPSBPPWFP-VWLOTQADSA-N 1 1 518.057 5.846 1 0 KKAFMO C[NH+]1CCN(c2nc(-c3ccccc3)c(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)s2)CC1 ZINC000098084252 562805619 /nfs/dbraw/zinc/80/56/19/562805619.db2.gz NYGQINSGRJJZOT-UHFFFAOYSA-N 1 1 514.054 5.581 1 0 KKAFMO O=C1[C@H]2[C@H](C(=O)N1CCCN1CC[NH+](CCCN3C(=O)[C@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085231 562805799 /nfs/dbraw/zinc/80/57/99/562805799.db2.gz NIYHRHQXPVSRCC-JPVFTYTRSA-N 1 1 716.882 5.169 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)c1ccccc1)C2 ZINC000100076383 562806646 /nfs/dbraw/zinc/80/66/46/562806646.db2.gz PCTGVUVZMRLXPO-NZEZUYSSSA-N 1 1 616.810 6.995 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCCC1)C2 ZINC000100076399 562806679 /nfs/dbraw/zinc/80/66/79/562806679.db2.gz ZWNFPZMDGAJTDD-VZRBIBDDSA-N 1 1 608.831 6.872 1 0 KKAFMO CCN(CC)C(=O)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193536 562809793 /nfs/dbraw/zinc/80/97/93/562809793.db2.gz BSIFCMAWFLQILY-WLNZHLEZSA-N 1 1 527.757 6.398 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645135 562811494 /nfs/dbraw/zinc/81/14/94/562811494.db2.gz GJLNDEKDUVZOPE-RTWAWAEBSA-N 1 1 561.506 6.011 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645123 562811540 /nfs/dbraw/zinc/81/15/40/562811540.db2.gz KRTZTABXRLIXPM-PMACEKPBSA-N 1 1 547.479 5.621 1 0 KKAFMO O=C(CC[NH+]1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696163 562811776 /nfs/dbraw/zinc/81/17/76/562811776.db2.gz FXKRFWSVCZPMBS-UHFFFAOYSA-N 1 1 569.683 5.325 1 0 KKAFMO CCN1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696202 562811788 /nfs/dbraw/zinc/81/17/88/562811788.db2.gz AWQBBDDSXLFRTH-UHFFFAOYSA-N 1 1 596.753 5.631 1 0 KKAFMO CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696260 562811860 /nfs/dbraw/zinc/81/18/60/562811860.db2.gz WVGGELUWNATWRC-UHFFFAOYSA-N 1 1 610.736 5.157 1 0 KKAFMO COc1cc(CCC(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806974 562813304 /nfs/dbraw/zinc/81/33/04/562813304.db2.gz JXCYICKXOWATCA-PVCJUVKBSA-N 1 1 643.774 5.625 1 0 KKAFMO CCn1c2ccc(Br)cc2c2nnc(SCCNc3cc[nH+]c4cc(Cl)ccc34)nc21 ZINC000103225743 562817762 /nfs/dbraw/zinc/81/77/62/562817762.db2.gz ZEXFCJGTPWMZIK-UHFFFAOYSA-N 1 1 513.852 6.168 1 0 KKAFMO CC(C)(C)C[NH+]1CCC2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccncc32)CC1 ZINC000103226390 562817842 /nfs/dbraw/zinc/81/78/42/562817842.db2.gz DMPKKWVGKRHQJC-UHFFFAOYSA-N 1 1 553.629 7.156 1 0 KKAFMO NC(=O)[C@]1(c2cc(CF)c(F)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227235 562817915 /nfs/dbraw/zinc/81/79/15/562817915.db2.gz WPKSRBNQSLEJKY-SCDHDWPVSA-N 1 1 516.419 6.137 1 0 KKAFMO COC(=O)N[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228778 562818018 /nfs/dbraw/zinc/81/80/18/562818018.db2.gz XFUJUIWWNICISD-MZNYFNKISA-N 1 1 530.883 7.010 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235743 562818717 /nfs/dbraw/zinc/81/87/17/562818717.db2.gz ICSKIEUWVASLGU-BSFYYBBGSA-N 1 1 583.604 7.788 1 0 KKAFMO O=C(NCCCCCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 ZINC000103236317 562818869 /nfs/dbraw/zinc/81/88/69/562818869.db2.gz WFVLUAKVENCGQB-BLMQSLGHSA-N 1 1 602.179 5.718 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103239086 562819299 /nfs/dbraw/zinc/81/92/99/562819299.db2.gz IJIDVLDTQYWFHT-UHFFFAOYSA-N 1 1 534.538 6.975 1 0 KKAFMO COc1ccc2[nH]cc(CC[N@@H+](C)Cc3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1 ZINC000103256587 562820856 /nfs/dbraw/zinc/82/08/56/562820856.db2.gz SWVBKVBMDAMNEF-UHFFFAOYSA-N 1 1 547.449 6.299 1 0 KKAFMO C[N@@H+](CCc1c[nH]c2ccccc12)Cc1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1 ZINC000103256584 562820875 /nfs/dbraw/zinc/82/08/75/562820875.db2.gz SOVUZNXBGWJTIG-UHFFFAOYSA-N 1 1 517.423 6.290 1 0 KKAFMO O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261471 562821368 /nfs/dbraw/zinc/82/13/68/562821368.db2.gz LAMYCJIXYOSQFI-MUUNZHRXSA-N 1 1 592.584 5.882 1 0 KKAFMO CCOC(=O)[C@@]12C[N@@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000105484959 562825289 /nfs/dbraw/zinc/82/52/89/562825289.db2.gz JKJUPHVYTNXPOR-OHOMVRQRSA-N 1 1 571.714 5.452 1 0 KKAFMO [NH3+][C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035874 562827075 /nfs/dbraw/zinc/82/70/75/562827075.db2.gz XCIFPBRCAMMOCR-IBGZPJMESA-N 1 1 532.019 6.059 1 0 KKAFMO C[NH+]1CCC(n2cc(Nc3c4cc(-c5cc(F)c(O)c(Cl)c5)ccc4ncc3S(C)(=O)=O)cn2)CC1 ZINC000114039350 562827434 /nfs/dbraw/zinc/82/74/34/562827434.db2.gz OKSIFUVLLACDNX-UHFFFAOYSA-N 1 1 530.025 5.010 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114099274 562827637 /nfs/dbraw/zinc/82/76/37/562827637.db2.gz GMSJFDPNVXVEPB-XMMPIXPASA-N 1 1 510.078 5.879 1 0 KKAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000114099414 562827642 /nfs/dbraw/zinc/82/76/42/562827642.db2.gz GWPGARDDTHPRSH-JOCHJYFZSA-N 1 1 501.465 5.117 1 0 KKAFMO NC(=[NH2+])c1ccc(Oc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc(Oc3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000114706942 562828421 /nfs/dbraw/zinc/82/84/21/562828421.db2.gz PBVRVYSNLDWJCZ-UHFFFAOYSA-N 1 1 551.628 5.793 1 0 KKAFMO Cc1ccc(NC(=O)C[C@@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)ncc2C1 ZINC000118604875 562830465 /nfs/dbraw/zinc/83/04/65/562830465.db2.gz UZICUOYVCKOCLZ-HSZRJFAPSA-N 1 1 611.713 5.245 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118788938 562830584 /nfs/dbraw/zinc/83/05/84/562830584.db2.gz OXJJQMUURYIRHE-BHYPCEDZSA-N 1 1 590.164 6.430 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCOCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118791963 562830601 /nfs/dbraw/zinc/83/06/01/562830601.db2.gz RSKLVMJITCOSKY-QJTKOPTISA-N 1 1 549.111 6.598 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)NC3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794618 562830617 /nfs/dbraw/zinc/83/06/17/562830617.db2.gz KHAYFXPJPHDPRJ-MROAXKPMSA-N 1 1 562.154 6.607 1 0 KKAFMO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118795171 562830659 /nfs/dbraw/zinc/83/06/59/562830659.db2.gz TZTVTMGZQVEMTM-PGRZUCIQSA-N 1 1 577.121 6.513 1 0 KKAFMO COC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118795171 562830660 /nfs/dbraw/zinc/83/06/60/562830660.db2.gz TZTVTMGZQVEMTM-PGRZUCIQSA-N 1 1 577.121 6.513 1 0 KKAFMO COc1cccc2[nH]c(CCC[N@@H+](C)CC[C@]3(OC(=O)C(C)C)C[C@H]4CCC[C@@H]3c3ccccc34)nc21 ZINC000138096461 562831702 /nfs/dbraw/zinc/83/17/02/562831702.db2.gz OZBPEBNJOSXIBE-SKYBXZRDSA-N 1 1 503.687 6.219 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000138611194 562832083 /nfs/dbraw/zinc/83/20/83/562832083.db2.gz GOODGRVFFQXMQC-BRWBUXIUSA-N 1 1 634.592 6.783 1 0 KKAFMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)CC1 ZINC000140499008 562833143 /nfs/dbraw/zinc/83/31/43/562833143.db2.gz LUUREPLIWHHQDE-NRFANRHFSA-N 1 1 514.686 5.033 1 0 KKAFMO C[N@H+]1CC[C@@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000140981802 562833418 /nfs/dbraw/zinc/83/34/18/562833418.db2.gz BYVKTKUNYXDYDU-QBTHZYCMSA-N 1 1 525.637 5.117 1 0 KKAFMO C[N@H+]1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140950222 562833425 /nfs/dbraw/zinc/83/34/25/562833425.db2.gz XFBYPOVDIRGRAL-LYCCBFRSSA-N 1 1 524.653 5.292 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@@H]4CCC[N@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144273455 562836020 /nfs/dbraw/zinc/83/60/20/562836020.db2.gz WGRUESGNZJBCSB-HXUWFJFHSA-N 1 1 518.641 5.138 1 0 KKAFMO NC(=O)c1ccc(-c2nccc3c(-c4cnc5ccc(C[NH+]6CCOCC6)cc5c4)cccc32)cc1NC1CCC(O)CC1 ZINC000145541067 562837336 /nfs/dbraw/zinc/83/73/36/562837336.db2.gz QKMLSRDRDJPSSZ-UHFFFAOYSA-N 1 1 587.724 5.764 1 0 KKAFMO c1nc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)sc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000145596125 562837413 /nfs/dbraw/zinc/83/74/13/562837413.db2.gz NCTUCHODDIOXLS-AREMUKBSSA-N 1 1 514.651 5.523 1 0 KKAFMO COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-n4cc[nH+]c4C)cc3F)n2-c2ccc(F)cc2)cc1OC ZINC000145868394 562837683 /nfs/dbraw/zinc/83/76/83/562837683.db2.gz XQLNSKQMAUONDU-UHFFFAOYSA-N 1 1 590.696 7.159 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145962322 562837829 /nfs/dbraw/zinc/83/78/29/562837829.db2.gz MSULTFPSAMYWKE-HNNXBMFYSA-N 1 1 590.002 5.565 1 0 KKAFMO CCN(CC)C(=O)[C@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146361173 562838484 /nfs/dbraw/zinc/83/84/84/562838484.db2.gz JLMVLYYCQLMTCP-WUFINQPMSA-N 1 1 603.881 5.295 1 0 KKAFMO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[N@H+](CCc5ccccc5C(F)(F)F)C4)cc32)ccn1 ZINC000147681746 562839501 /nfs/dbraw/zinc/83/95/01/562839501.db2.gz VCOYRCZLGMNSQN-JOCHJYFZSA-N 1 1 507.560 5.389 1 0 KKAFMO Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCC[N@@H+](CCc5ccccc5C(F)(F)F)C4)cc32)ccn1 ZINC000147681746 562839502 /nfs/dbraw/zinc/83/95/02/562839502.db2.gz VCOYRCZLGMNSQN-JOCHJYFZSA-N 1 1 507.560 5.389 1 0 KKAFMO COc1c(C)cccc1C[N@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148817661 562841812 /nfs/dbraw/zinc/84/18/12/562841812.db2.gz VVFHLEGKGYADNF-QHCPKHFHSA-N 1 1 501.067 5.325 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(S(C)(=O)=O)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538921 562844077 /nfs/dbraw/zinc/84/40/77/562844077.db2.gz VKOHBAFPRYGTSG-UHFFFAOYSA-N 1 1 858.531 6.219 1 0 KKAFMO C[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606248 562847868 /nfs/dbraw/zinc/84/78/68/562847868.db2.gz JCRAXGYBNYHQTK-BFGHFXMOSA-N 1 1 664.892 5.428 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529206 562849347 /nfs/dbraw/zinc/84/93/47/562849347.db2.gz ZOZVPIRGEIVLGJ-QFIPXVFZSA-N 1 1 649.722 5.215 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4cccc(C[N@@H+]5C[C@@H](C)N[C@@H](C)C5)c4)c3)CC2)nn1C ZINC000163657261 562849398 /nfs/dbraw/zinc/84/93/98/562849398.db2.gz INVRHWDUKKEWBU-SWBIORQWSA-N 1 1 653.803 5.375 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4cccc(C[N@H+]5C[C@@H](C)N[C@@H](C)C5)c4)c3)CC2)nn1C ZINC000163657261 562849399 /nfs/dbraw/zinc/84/93/99/562849399.db2.gz INVRHWDUKKEWBU-SWBIORQWSA-N 1 1 653.803 5.375 1 0 KKAFMO C[N@H+]1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000168437340 562851431 /nfs/dbraw/zinc/85/14/31/562851431.db2.gz TZVXNNVFMGZHLT-KARZDMNSSA-N 1 1 525.637 5.259 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169294861 562852306 /nfs/dbraw/zinc/85/23/06/562852306.db2.gz ZSYUYCGOXXOFOB-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169294861 562852307 /nfs/dbraw/zinc/85/23/07/562852307.db2.gz ZSYUYCGOXXOFOB-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169294861 562852308 /nfs/dbraw/zinc/85/23/08/562852308.db2.gz ZSYUYCGOXXOFOB-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298325 562852666 /nfs/dbraw/zinc/85/26/66/562852666.db2.gz GYHHALPUXKNWQM-KMYPOQQFSA-N 1 1 551.042 6.058 1 0 KKAFMO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310155 562854686 /nfs/dbraw/zinc/85/46/86/562854686.db2.gz UWULGUFSFZJDEY-JLELKNTQSA-N 1 1 580.685 5.231 1 0 KKAFMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317496 562855979 /nfs/dbraw/zinc/85/59/79/562855979.db2.gz GLCDSMRSFSVQSW-SHQCIBLASA-N 1 1 516.560 5.546 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317802 562856029 /nfs/dbraw/zinc/85/60/29/562856029.db2.gz CZVLXTAHCSHXFS-RDGATRHJSA-N 1 1 527.505 6.606 1 0 KKAFMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317786 562856054 /nfs/dbraw/zinc/85/60/54/562856054.db2.gz DTCLOSIOZCFUAJ-RBJSKKJNSA-N 1 1 515.572 6.180 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000169317800 562856057 /nfs/dbraw/zinc/85/60/57/562856057.db2.gz CZVLXTAHCSHXFS-RCZVLFRGSA-N 1 1 527.505 6.606 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1O ZINC000169321629 562856685 /nfs/dbraw/zinc/85/66/85/562856685.db2.gz MHCLZKGUUFRJCO-DHUJRADRSA-N 1 1 666.885 6.498 1 0 KKAFMO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3F)CC2)c1 ZINC000169321692 562856703 /nfs/dbraw/zinc/85/67/03/562856703.db2.gz ADPMYXOMYHHLJF-UHFFFAOYSA-N 1 1 564.636 6.873 1 0 KKAFMO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(F)c([O-])cc3F)CC2)ccc1O ZINC000169321652 562856709 /nfs/dbraw/zinc/85/67/09/562856709.db2.gz PBXXNFYJZUROSJ-DHUJRADRSA-N 1 1 718.864 6.481 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cccc(O)c3)CC2)ccc1O ZINC000169321633 562856735 /nfs/dbraw/zinc/85/67/35/562856735.db2.gz XRUGWYOIFVUFLD-DHUJRADRSA-N 1 1 682.884 6.203 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(O)cc(F)c3)CC2)ccc1O ZINC000169321647 562856747 /nfs/dbraw/zinc/85/67/47/562856747.db2.gz YDYGDSDQUGVCTL-DHUJRADRSA-N 1 1 700.874 6.342 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3cccc(F)c3)n2)CC1 ZINC000169322268 562856807 /nfs/dbraw/zinc/85/68/07/562856807.db2.gz RWAVUILCMVIXAP-UHFFFAOYSA-N 1 1 570.076 6.585 1 0 KKAFMO CC(C)CCC[N@@H+](CCC(C)C)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336021 562859775 /nfs/dbraw/zinc/85/97/75/562859775.db2.gz WCYISUHZAVDJIH-HSZRJFAPSA-N 1 1 504.559 7.604 1 0 KKAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@H](c2ccccc2)C[N@H+](C)CC3)ncc1Cl ZINC000169345214 562861590 /nfs/dbraw/zinc/86/15/90/562861590.db2.gz IMLPTVNOQPZHSM-DEOSSOPVSA-N 1 1 513.045 5.597 1 0 KKAFMO CCOC(=O)/C=C/C(=O)Nc1cccc(CCC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346318 562861754 /nfs/dbraw/zinc/86/17/54/562861754.db2.gz NJSNAKJFFPLGPW-QFCVXZHASA-N 1 1 502.655 5.141 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350731 562862930 /nfs/dbraw/zinc/86/29/30/562862930.db2.gz BWVHLLZOTCLDJN-UHFFFAOYSA-N 1 1 723.680 6.281 1 0 KKAFMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000169361172 562864195 /nfs/dbraw/zinc/86/41/95/562864195.db2.gz RTJZMWSCHLSZOW-GRKNLSHJSA-N 1 1 591.196 6.780 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362671 562864274 /nfs/dbraw/zinc/86/42/74/562864274.db2.gz GRZGPYMYCGWTKZ-MXSCXNJPSA-N 1 1 536.713 5.421 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCC[C@@H](C[C@@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000169370434 562864766 /nfs/dbraw/zinc/86/47/66/562864766.db2.gz VEPNEHUJRMVZLF-ABYGYWHVSA-N 1 1 501.715 5.668 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)COC4(CCCCC4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169371689 562864797 /nfs/dbraw/zinc/86/47/97/562864797.db2.gz ROPBDLZCVLFSRF-DYJDYROMSA-N 1 1 636.786 5.444 1 0 KKAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205011855 562874705 /nfs/dbraw/zinc/87/47/05/562874705.db2.gz JIPBJMCBJJQEKV-LPHOPBHVSA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205011855 562874706 /nfs/dbraw/zinc/87/47/06/562874706.db2.gz JIPBJMCBJJQEKV-LPHOPBHVSA-N 1 1 517.605 5.411 1 0 KKAFMO C[NH+](C)Cc1ccc(Nc2c(C(=O)C3CCCC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000219381803 562878177 /nfs/dbraw/zinc/87/81/77/562878177.db2.gz KDAYLEBBCHJLHH-UHFFFAOYSA-N 1 1 518.032 7.578 1 0 KKAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-c3ccncc3)cc2)c1 ZINC000220408566 562878452 /nfs/dbraw/zinc/87/84/52/562878452.db2.gz PVOOWXNQCCXEAD-MFMCTBQISA-N 1 1 593.753 5.624 1 0 KKAFMO CO[C@H]1CC[C@H](C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000253632411 562881954 /nfs/dbraw/zinc/88/19/54/562881954.db2.gz CEPWNDTUFIVNTJ-DJWYIQKTSA-N 1 1 566.746 5.370 1 0 KKAFMO CCNc1nc(N[C@H]2CC[C@@H](CNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)[nH+]cc1C ZINC000253676613 562882799 /nfs/dbraw/zinc/88/27/99/562882799.db2.gz HFLLRKWBRRVLMK-UJKQEGAGSA-N 1 1 503.491 5.655 1 0 KKAFMO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1F)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ncccc2C1=O ZINC000299838306 562887778 /nfs/dbraw/zinc/88/77/78/562887778.db2.gz UNXXMOCMMOZCQO-FYZNHFMZSA-N 1 1 690.829 5.755 1 0 KKAFMO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1F)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ncccc2C1=O ZINC000299838306 562887779 /nfs/dbraw/zinc/88/77/79/562887779.db2.gz UNXXMOCMMOZCQO-FYZNHFMZSA-N 1 1 690.829 5.755 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299840182 562888438 /nfs/dbraw/zinc/88/84/38/562888438.db2.gz VNXKXHPNCGBZAW-UHFFFAOYSA-N 1 1 706.750 6.282 1 0 KKAFMO Cc1nc(-c2ccc(OCCCCc3ccccc3)cc2)sc1CNc1cc[nH+]c(NCC(C)C)n1 ZINC000299862255 562893540 /nfs/dbraw/zinc/89/35/40/562893540.db2.gz MTWQPBAECCGOHJ-UHFFFAOYSA-N 1 1 501.700 6.990 1 0 KKAFMO O=c1oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc2c2c1CCCC2 ZINC000299863176 562893825 /nfs/dbraw/zinc/89/38/25/562893825.db2.gz OSIQHLHPEJAMTO-UHFFFAOYSA-N 1 1 566.746 5.597 1 0 KKAFMO CN(C)[C@@H]1CC[N@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867329 562894883 /nfs/dbraw/zinc/89/48/83/562894883.db2.gz QELXIUMTFWOZOW-AREMUKBSSA-N 1 1 548.518 6.876 1 0 KKAFMO CN(C)[C@@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299867329 562894884 /nfs/dbraw/zinc/89/48/84/562894884.db2.gz QELXIUMTFWOZOW-AREMUKBSSA-N 1 1 548.518 6.876 1 0 KKAFMO FC1(F)CN=C2C=CN(CCCCCN3C=CC(=[NH+]CC(F)(F)C1(F)F)c1ccccc13)c1ccccc12 ZINC000377845834 562896377 /nfs/dbraw/zinc/89/63/77/562896377.db2.gz GDHTVEYSDDTIPX-UHFFFAOYSA-N 1 1 532.532 6.722 1 0 KKAFMO CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848915 562896476 /nfs/dbraw/zinc/89/64/76/562896476.db2.gz DZWPBDAZEKMKKS-UHFFFAOYSA-O 1 1 518.645 5.361 1 0 KKAFMO CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848905 562896483 /nfs/dbraw/zinc/89/64/83/562896483.db2.gz ATJUTXJKMYUQMD-UHFFFAOYSA-O 1 1 546.699 6.142 1 0 KKAFMO C[N@@H+]1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@H](c2ccccc2)C1 ZINC000473082483 562896704 /nfs/dbraw/zinc/89/67/04/562896704.db2.gz IIUNRDLMIHCWET-LJAQVGFWSA-N 1 1 607.763 5.391 1 0 KKAFMO C[N@H+]1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)[C@H](c2ccccc2)C1 ZINC000473082483 562896705 /nfs/dbraw/zinc/89/67/05/562896705.db2.gz IIUNRDLMIHCWET-LJAQVGFWSA-N 1 1 607.763 5.391 1 0 KKAFMO CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@H]2c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473083654 562896838 /nfs/dbraw/zinc/89/68/38/562896838.db2.gz PARRFIAYDACNFT-NDEPHWFRSA-N 1 1 572.065 5.803 1 0 KKAFMO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3[N@@H+](C)C[C@H]2c1ccccc1)OCO4 ZINC000473085185 562896932 /nfs/dbraw/zinc/89/69/32/562896932.db2.gz VOXGFSUNUJCBDG-IZZNHLLZSA-N 1 1 570.483 7.107 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085276 562896939 /nfs/dbraw/zinc/89/69/39/562896939.db2.gz WIZSLSNPFHOGDJ-MUUNZHRXSA-N 1 1 620.935 6.557 1 0 KKAFMO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3[N@@H+](C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085172 562896946 /nfs/dbraw/zinc/89/69/46/562896946.db2.gz VOXGFSUNUJCBDG-CLJLJLNGSA-N 1 1 570.483 7.107 1 0 KKAFMO CCCCNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473085232 562896964 /nfs/dbraw/zinc/89/69/64/562896964.db2.gz WBFZJRVLTKJMTG-PMERELPUSA-N 1 1 570.093 6.575 1 0 KKAFMO CCCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086811 562897096 /nfs/dbraw/zinc/89/70/96/562897096.db2.gz CUSMDTSIZNVXNX-SSEXGKCCSA-N 1 1 529.725 6.154 1 0 KKAFMO CCOC(=O)CCCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087494 562897154 /nfs/dbraw/zinc/89/71/54/562897154.db2.gz FOFIZPPIHKXHNV-YTTGMZPUSA-N 1 1 601.788 6.088 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2[nH]c(=O)n(-c3ccccc3Cl)c2C)cc1F ZINC000473093459 562897794 /nfs/dbraw/zinc/89/77/94/562897794.db2.gz UFYWONKSWCXKNY-UHFFFAOYSA-N 1 1 675.161 6.297 1 0 KKAFMO CC[N@@H+](CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473115872 562899073 /nfs/dbraw/zinc/89/90/73/562899073.db2.gz UZWFCPNNTSFTBG-UHFFFAOYSA-N 1 1 547.648 6.176 1 0 KKAFMO CC[N@@H+](CCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117621 562899230 /nfs/dbraw/zinc/89/92/30/562899230.db2.gz ZTXCLPTZXVJBFR-UHFFFAOYSA-N 1 1 519.594 5.482 1 0 KKAFMO CCCSc1ccc([C@@H](O)[C@@]2(C)C[C@]34C=C[C@]2(OC)[C@@H]2Oc5c6c(ccc5O)C[C@H]3[N@H+](CC3CC3)CC[C@]624)cc1 ZINC000473135216 562900656 /nfs/dbraw/zinc/90/06/56/562900656.db2.gz MMYCYZRNWNMOQF-GQQMUFKYSA-N 1 1 559.772 6.019 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(CC[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 ZINC000473135964 562900909 /nfs/dbraw/zinc/90/09/09/562900909.db2.gz LYIZATOYFNWNKD-UHFFFAOYSA-N 1 1 601.725 5.366 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 ZINC000473135964 562900910 /nfs/dbraw/zinc/90/09/10/562900910.db2.gz LYIZATOYFNWNKD-UHFFFAOYSA-N 1 1 601.725 5.366 1 0 KKAFMO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@@H+](CCC)[C@@H]3CCc4c(O)cccc4C3)cc2OC)nn1 ZINC000473136259 562900985 /nfs/dbraw/zinc/90/09/85/562900985.db2.gz OVKBSFKFSBQCLW-GDLZYMKVSA-N 1 1 591.797 5.584 1 0 KKAFMO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@@H+](CCC)[C@H]3CCc4c(O)cccc4C3)cc2OC)nn1 ZINC000473136260 562900992 /nfs/dbraw/zinc/90/09/92/562900992.db2.gz OVKBSFKFSBQCLW-LJAQVGFWSA-N 1 1 591.797 5.584 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473136985 562901150 /nfs/dbraw/zinc/90/11/50/562901150.db2.gz VYGXGABSDMWRBM-UHFFFAOYSA-N 1 1 627.807 6.655 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473136985 562901151 /nfs/dbraw/zinc/90/11/51/562901151.db2.gz VYGXGABSDMWRBM-UHFFFAOYSA-N 1 1 627.807 6.655 1 0 KKAFMO CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473165246 562902931 /nfs/dbraw/zinc/90/29/31/562902931.db2.gz TTXYXNAGFDQSJT-RUCARUNLSA-N 1 1 500.470 6.461 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000473165342 562902957 /nfs/dbraw/zinc/90/29/57/562902957.db2.gz ZMJZOFJNMWOPSG-DUXKGJEZSA-N 1 1 528.480 5.576 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179744 562903490 /nfs/dbraw/zinc/90/34/90/562903490.db2.gz RWQUGWZUVFWOSC-VJBMBRPKSA-N 1 1 538.088 5.321 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000473197877 562903678 /nfs/dbraw/zinc/90/36/78/562903678.db2.gz JTPDTMCQGLNTTC-DRGJWEBESA-N 1 1 557.522 5.751 1 0 KKAFMO O=C([O-])CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215209 562903963 /nfs/dbraw/zinc/90/39/63/562903963.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 1 1 518.746 6.565 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215209 562903964 /nfs/dbraw/zinc/90/39/64/562903964.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 1 1 518.746 6.565 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215209 562903965 /nfs/dbraw/zinc/90/39/65/562903965.db2.gz BVKDCVKXPSMBCK-OVZXINRLSA-N 1 1 518.746 6.565 1 0 KKAFMO CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215532 562904093 /nfs/dbraw/zinc/90/40/93/562904093.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 1 1 581.871 5.509 1 0 KKAFMO CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215532 562904094 /nfs/dbraw/zinc/90/40/94/562904094.db2.gz ZDTJDJNWJRVPMJ-MVQHYNIRSA-N 1 1 581.871 5.509 1 0 KKAFMO O=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 ZINC000473215521 562904096 /nfs/dbraw/zinc/90/40/96/562904096.db2.gz WWRGSCYDLPRKQG-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215521 562904097 /nfs/dbraw/zinc/90/40/97/562904097.db2.gz WWRGSCYDLPRKQG-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215521 562904098 /nfs/dbraw/zinc/90/40/98/562904098.db2.gz WWRGSCYDLPRKQG-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c2C)CC1 ZINC000473244395 562904856 /nfs/dbraw/zinc/90/48/56/562904856.db2.gz JSOMMMZPVKOOPH-QRRGNZNSSA-N 1 1 613.803 5.025 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C)cc3)c(=O)n2C)cc1F ZINC000474609315 562905563 /nfs/dbraw/zinc/90/55/63/562905563.db2.gz PHJDVAQGVCNRBI-UHFFFAOYSA-N 1 1 668.770 5.550 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609552 562905605 /nfs/dbraw/zinc/90/56/05/562905605.db2.gz QTDUAVIOODNWJG-HKBQPEDESA-N 1 1 535.688 5.774 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4ccccc4Br)n3)ccc21 ZINC000474609882 562905729 /nfs/dbraw/zinc/90/57/29/562905729.db2.gz WQLLQLZJVJCZOZ-MHZLTWQESA-N 1 1 521.434 6.156 1 0 KKAFMO COc1cc(-c2nc(CN3CC[NH+](Cc4cc5c6ccccc6[nH]c5c(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cc3c4ccccc4[nH]c32)cc(OC)c1OC ZINC000653714839 562908465 /nfs/dbraw/zinc/90/84/65/562908465.db2.gz WYDPFLZMEZEUGF-UHFFFAOYSA-N 1 1 778.910 8.449 1 0 KKAFMO c1ccc(CCCn2c3ccccc3c3cc(CN4CC[NH+](Cc5cc6c7ccccc7n(CCCc7ccccc7)c6cn5)CC4)ncc32)cc1 ZINC000653716273 562908542 /nfs/dbraw/zinc/90/85/42/562908542.db2.gz MIKFTFAVHFUBBD-UHFFFAOYSA-N 1 1 682.916 9.276 1 0 KKAFMO CN(c1ccc(OCC[NH+]2CCN(Cc3ccccc3F)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653737758 562909850 /nfs/dbraw/zinc/90/98/50/562909850.db2.gz VBLFOCWXVFSMDA-UHFFFAOYSA-N 1 1 506.025 5.387 1 0 KKAFMO CN(c1ccc(OCC[NH+]2CCN(Cc3c(F)cccc3F)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653737694 562909860 /nfs/dbraw/zinc/90/98/60/562909860.db2.gz AJUSVOIHJHDBCK-UHFFFAOYSA-N 1 1 524.015 5.526 1 0 KKAFMO CC1(C)C[C@H](c2ccc(C(F)(F)F)cc2C2(F)C[NH2+]C2)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2O1 ZINC000653742639 562910234 /nfs/dbraw/zinc/91/02/34/562910234.db2.gz FXSRKEVVPAPAOG-GOSISDBHSA-N 1 1 541.592 5.424 1 0 KKAFMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000653788929 562912551 /nfs/dbraw/zinc/91/25/51/562912551.db2.gz CFKHAUNRVBULOY-GDLZYMKVSA-N 1 1 541.777 5.160 1 0 KKAFMO Cn1c(SCCC[N@@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1 ZINC000653795107 562913005 /nfs/dbraw/zinc/91/30/05/562913005.db2.gz IMTICVASEJSMDW-NRFANRHFSA-N 1 1 530.576 5.107 1 0 KKAFMO Cn1c(SCCC[N@H+]2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1 ZINC000653795107 562913006 /nfs/dbraw/zinc/91/30/06/562913006.db2.gz IMTICVASEJSMDW-NRFANRHFSA-N 1 1 530.576 5.107 1 0 KKAFMO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(Nc4ccc(F)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653797796 562913164 /nfs/dbraw/zinc/91/31/64/562913164.db2.gz LEHYHVQLOISUPA-UHFFFAOYSA-N 1 1 534.574 7.087 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(NCC[NH+](C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822685 562914159 /nfs/dbraw/zinc/91/41/59/562914159.db2.gz QTUYPIHERHUIJG-CQSZACIVSA-N 1 1 510.429 5.922 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N5CCC[N@@H+](C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822640 562914162 /nfs/dbraw/zinc/91/41/62/562914162.db2.gz JQKDGGRZIBHFLB-MRXNPFEDSA-N 1 1 536.467 6.090 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC[N@H+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822640 562914163 /nfs/dbraw/zinc/91/41/63/562914163.db2.gz JQKDGGRZIBHFLB-MRXNPFEDSA-N 1 1 536.467 6.090 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC[N@@H+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822640 562914164 /nfs/dbraw/zinc/91/41/64/562914164.db2.gz JQKDGGRZIBHFLB-MRXNPFEDSA-N 1 1 536.467 6.090 1 0 KKAFMO C[N@@H+](CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653823168 562914224 /nfs/dbraw/zinc/91/42/24/562914224.db2.gz QUCBXGWIZAVJDM-UHFFFAOYSA-N 1 1 556.703 6.976 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5C[C@@H](C)[NH2+][C@@H](C)C5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825388 562914388 /nfs/dbraw/zinc/91/43/88/562914388.db2.gz JZMMRIIMJLFYOI-OWCLPIDISA-N 1 1 536.467 6.135 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653857568 562915830 /nfs/dbraw/zinc/91/58/30/562915830.db2.gz ZMMPJVTUJGNGJO-UHFFFAOYSA-N 1 1 639.732 5.641 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3c(C)cccc3C)nn2)cc1F ZINC000653871595 562916410 /nfs/dbraw/zinc/91/64/10/562916410.db2.gz KUOZPIPTBUPKDC-UHFFFAOYSA-N 1 1 626.689 5.726 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873458 562916525 /nfs/dbraw/zinc/91/65/25/562916525.db2.gz ONFDAKKUFGLFCG-UHFFFAOYSA-N 1 1 573.471 5.757 1 0 KKAFMO O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653886929 562916985 /nfs/dbraw/zinc/91/69/85/562916985.db2.gz MGNDUAVIKQXEDX-ONRXEWETSA-N 1 1 519.652 5.309 1 0 KKAFMO CCC[NH2+][C@@H](CNC)C1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595769 565154049 /nfs/dbraw/zinc/15/40/49/565154049.db2.gz ONNQDVMAHUNDFK-AISHCKFISA-N 1 1 636.830 5.903 1 0 biogenic,in-vitro KKAFMO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3C[N@H+]4CC3CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026660139 581099582 /nfs/dbraw/zinc/09/95/82/581099582.db2.gz KSCQZBDAQWTHKN-QZTJIDSGSA-N 1 1 588.511 6.852 1 0 KKAFMO Cc1[nH+]c(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc32)c1F ZINC000001911452 561680299 /nfs/dbraw/zinc/68/02/99/561680299.db2.gz GPJIYMVTTVFTEO-UHFFFAOYSA-N 1 1 530.953 6.120 1 0 KKAFMO COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000003813546 561682761 /nfs/dbraw/zinc/68/27/61/561682761.db2.gz RTJYNDZSOVYLSA-GDLZYMKVSA-N 1 1 516.663 6.575 1 0 KKAFMO Cc1ccc(C(=O)N2CCc3ccccc3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000003917026 561685148 /nfs/dbraw/zinc/68/51/48/561685148.db2.gz YSWHQXPXNDQJSJ-GAHHUZMSSA-N 1 1 678.918 5.691 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4[nH]c3C(C)C)cc2)cc1OC ZINC000003922473 561685951 /nfs/dbraw/zinc/68/59/51/561685951.db2.gz KNUKDHHQOCTZCF-UHFFFAOYSA-N 1 1 550.721 6.085 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CC[NH+](C)CC4)c(F)c3)n2)c(OC)c1 ZINC000006745004 561703177 /nfs/dbraw/zinc/70/31/77/561703177.db2.gz OWVLKCRXPYZKDI-UHFFFAOYSA-N 1 1 586.668 6.082 1 0 KKAFMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597745 561706199 /nfs/dbraw/zinc/70/61/99/561706199.db2.gz NIOIBFKJMZBWEE-UHFFFAOYSA-N 1 1 571.766 5.782 1 0 KKAFMO Cn1cc(C2=C(c3cn([C@@H]4CC[N@@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000013489986 561716118 /nfs/dbraw/zinc/71/61/18/561716118.db2.gz XHECFEYKUWOZIT-JOCHJYFZSA-N 1 1 500.602 5.147 1 0 KKAFMO O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CCc2ccccc2)[C@H]1O5 ZINC000013518090 561716740 /nfs/dbraw/zinc/71/67/40/561716740.db2.gz IGJGVONOVSZTLU-KYXYXWHUSA-N 1 1 509.646 5.015 1 0 KKAFMO CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[N@@H+](CCc3ccccc3)CCC2=O)cc1 ZINC000013661810 561723589 /nfs/dbraw/zinc/72/35/89/561723589.db2.gz ILAUSUDKTJLFLK-NDEPHWFRSA-N 1 1 501.696 5.125 3 0 KKAFMO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013661687 561723592 /nfs/dbraw/zinc/72/35/92/561723592.db2.gz LIPXDRRTIGUPAP-SANMLTNESA-N 1 1 523.540 5.930 3 0 KKAFMO COc1ccccc1N1CC[NH+](Cc2ccc(CN(Cc3ccccc3)C(=O)c3ccccc3)n2C)CC1 ZINC000013743859 561726490 /nfs/dbraw/zinc/72/64/90/561726490.db2.gz GMRLQCUMWHHPJZ-UHFFFAOYSA-N 1 1 508.666 5.199 1 0 KKAFMO COc1ccc(C[N@@H+](CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1OC ZINC000013473316 561714355 /nfs/dbraw/zinc/71/43/55/561714355.db2.gz UFEIGDKXCLHAPU-UHFFFAOYSA-N 1 1 524.661 5.906 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781694 561729458 /nfs/dbraw/zinc/72/94/58/561729458.db2.gz OIQRRPTWMZBNMA-SKCUWOTOSA-N 1 1 528.759 5.323 1 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812920 561731730 /nfs/dbraw/zinc/73/17/30/561731730.db2.gz UESIYDZPBMNPLD-HXUOFSJXSA-N 1 1 516.651 8.169 3 0 KKAFMO OC[C@H](C1CCCCC1)[N@@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819420 561732454 /nfs/dbraw/zinc/73/24/54/561732454.db2.gz RNBWEUULKWTMAR-DCMFLLSESA-N 1 1 504.759 5.493 1 0 KKAFMO OC[C@H](C1CCCCC1)[N@H+]1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819420 561732455 /nfs/dbraw/zinc/73/24/55/561732455.db2.gz RNBWEUULKWTMAR-DCMFLLSESA-N 1 1 504.759 5.493 1 0 KKAFMO C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23C[N@H+]1C ZINC000013983247 561736027 /nfs/dbraw/zinc/73/60/27/561736027.db2.gz DINDUEXSAMHHDB-ARDBEANASA-N 1 1 517.969 6.687 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014096343 561736443 /nfs/dbraw/zinc/73/64/43/561736443.db2.gz QMEPUSMYDLGAOV-UUWRZZSWSA-N 1 1 585.739 7.439 1 0 KKAFMO CCCCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000014255602 561738626 /nfs/dbraw/zinc/73/86/26/561738626.db2.gz LRDGJZZZXIOMCT-QHCPKHFHSA-N 1 1 566.739 6.833 1 0 KKAFMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000014294807 561739507 /nfs/dbraw/zinc/73/95/07/561739507.db2.gz MOIQVOKPJIZNBO-GDLZYMKVSA-N 1 1 556.769 6.081 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000014944249 561742276 /nfs/dbraw/zinc/74/22/76/561742276.db2.gz TWRMMAAINFMTFO-QGZVFWFLSA-N 1 1 544.531 6.595 1 0 KKAFMO CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947313 561744722 /nfs/dbraw/zinc/74/47/22/561744722.db2.gz XXFJVXFGCDTSND-SXOMAYOGSA-N 1 1 593.259 10.176 1 0 in-vivo KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[N@H+]5CC[C@H](O)C5)cc3)CC4)cc12 ZINC000014950433 561745573 /nfs/dbraw/zinc/74/55/73/561745573.db2.gz DFRIQJHMGZBFOM-QFIPXVFZSA-N 1 1 588.590 5.051 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000016052529 561754068 /nfs/dbraw/zinc/75/40/68/561754068.db2.gz PEGWVOKOYYAQEV-UHFFFAOYSA-N 1 1 610.686 5.627 1 0 in-vitro KKAFMO NC(=O)Cc1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000014973005 561751726 /nfs/dbraw/zinc/75/17/26/561751726.db2.gz ZVWVNNYZOBNFFJ-UHFFFAOYSA-N 1 1 581.078 7.490 1 0 KKAFMO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 ZINC000014978287 561752659 /nfs/dbraw/zinc/75/26/59/561752659.db2.gz YCOQGGMZWKBBGI-SQJMNOBHSA-N 1 1 597.782 5.487 1 0 in-vitro KKAFMO CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 ZINC000014978287 561752660 /nfs/dbraw/zinc/75/26/60/561752660.db2.gz YCOQGGMZWKBBGI-SQJMNOBHSA-N 1 1 597.782 5.487 1 0 in-vitro KKAFMO COc1cc([C@@H]2CC(=O)Oc3c([C@H](CC[N@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545743 561756025 /nfs/dbraw/zinc/75/60/25/561756025.db2.gz MJKLWLKIFXZGHF-QPVYNBJUSA-N 1 1 632.798 6.491 3 0 KKAFMO O[C@@H](CCN1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365464 561758386 /nfs/dbraw/zinc/75/83/86/561758386.db2.gz WPTBYSWSMZEWGH-MHZLTWQESA-N 1 1 545.468 5.575 1 0 KKAFMO COc1ccc(NC(=O)Nc2nc3nc(NCCC[NH+]4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000021289421 561758811 /nfs/dbraw/zinc/75/88/11/561758811.db2.gz LVEXBQONPVYXPA-UHFFFAOYSA-N 1 1 595.535 5.701 1 0 KKAFMO C[NH+]1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1 ZINC000021289563 561758940 /nfs/dbraw/zinc/75/89/40/561758940.db2.gz FIZKTFMGWNHPMZ-UHFFFAOYSA-N 1 1 537.900 5.960 1 0 in-vitro KKAFMO COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2[NH2+]Cc2ccc3ccccc3c2)cc1 ZINC000022453262 561759359 /nfs/dbraw/zinc/75/93/59/561759359.db2.gz LGNBQFHEQKEZPV-ROJLCIKYSA-N 1 1 510.678 6.069 1 0 KKAFMO CO[C@H](CSc1ccccc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924723 561759515 /nfs/dbraw/zinc/75/95/15/561759515.db2.gz MLTMTBFVYXFOGY-NDEPHWFRSA-N 1 1 510.694 6.302 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(F)c(F)c4)C[C@H]23)CC1 ZINC000022935433 561760757 /nfs/dbraw/zinc/76/07/57/561760757.db2.gz XJFGBAZCWHREIV-CMTYHFORSA-N 1 1 521.027 5.349 1 0 KKAFMO CN1CC[NH+](CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(-c4c(Cl)cccc4Cl)cc3cn2)CC1 ZINC000023357875 561761806 /nfs/dbraw/zinc/76/18/06/561761806.db2.gz TWGNTRGLYZCJJT-UHFFFAOYSA-N 1 1 544.531 5.573 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000026170696 561769905 /nfs/dbraw/zinc/76/99/05/561769905.db2.gz KMJBQQVXZCZHNB-UHFFFAOYSA-N 1 1 642.707 5.828 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000026170696 561769906 /nfs/dbraw/zinc/76/99/06/561769906.db2.gz KMJBQQVXZCZHNB-UHFFFAOYSA-N 1 1 642.707 5.828 1 0 KKAFMO COc1ccc([C@@H](CCCCC[N@H+]2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259130 561775334 /nfs/dbraw/zinc/77/53/34/561775334.db2.gz ZIDJRRPIOJNLKD-WJOKGBTCSA-N 1 1 519.707 7.193 1 0 KKAFMO COc1ccc2c(c1)CC[N@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269368 561776826 /nfs/dbraw/zinc/77/68/26/561776826.db2.gz QBYHJXFWLJFTMH-WJOKGBTCSA-N 1 1 505.724 7.473 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000026270635 561777160 /nfs/dbraw/zinc/77/71/60/561777160.db2.gz TTXYCQNBIYJCPN-KYJUHHDHSA-N 1 1 592.180 6.048 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000026270635 561777161 /nfs/dbraw/zinc/77/71/61/561777161.db2.gz TTXYCQNBIYJCPN-KYJUHHDHSA-N 1 1 592.180 6.048 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CC1CCCCC1 ZINC000026274062 561777688 /nfs/dbraw/zinc/77/76/88/561777688.db2.gz NVEXGIMBAFMDOW-KYJUHHDHSA-N 1 1 563.783 5.775 1 0 KKAFMO CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000026296727 561781575 /nfs/dbraw/zinc/78/15/75/561781575.db2.gz DCJXJZRHLYXSCU-ZPROFRFWSA-N 1 1 654.896 5.478 1 0 KKAFMO CC(C)CC[N@@H+](c1ccc(O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026500903 561795440 /nfs/dbraw/zinc/79/54/40/561795440.db2.gz WJWDMIZESSVZJW-MHZLTWQESA-N 1 1 500.728 5.236 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026500903 561795441 /nfs/dbraw/zinc/79/54/41/561795441.db2.gz WJWDMIZESSVZJW-MHZLTWQESA-N 1 1 500.728 5.236 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1 ZINC000026386694 561784591 /nfs/dbraw/zinc/78/45/91/561784591.db2.gz ZVSTVGCGZDZJQW-SPIMXWGGSA-N 1 1 681.922 5.407 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCC[C@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498933 561794927 /nfs/dbraw/zinc/79/49/27/561794927.db2.gz RMNBMSAPTRQBGL-DHIFEGFHSA-N 1 1 571.851 5.713 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026575615 561799377 /nfs/dbraw/zinc/79/93/77/561799377.db2.gz IVSRQATZVDQHTP-UHFFFAOYSA-N 1 1 692.851 7.624 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(=C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CC1 ZINC000026576187 561799985 /nfs/dbraw/zinc/79/99/85/561799985.db2.gz KJJPRLXHLHFGRW-UHFFFAOYSA-N 1 1 706.878 8.173 1 0 KKAFMO CC[N@@H+](CCO)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 ZINC000026576689 561800482 /nfs/dbraw/zinc/80/04/82/561800482.db2.gz IYWLLEISTIXAQH-UHFFFAOYSA-N 1 1 703.284 5.662 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(C(F)(F)F)c3)cc2)C1 ZINC000026664807 561810942 /nfs/dbraw/zinc/81/09/42/561810942.db2.gz CYORBGPGFWOAPN-IZZNHLLZSA-N 1 1 544.017 5.641 1 0 KKAFMO C[C@@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000026674731 561813584 /nfs/dbraw/zinc/81/35/84/561813584.db2.gz NZPBORMKRQQWNV-CGJDKJMMSA-N 1 1 536.760 6.764 1 0 KKAFMO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@@H]2CCC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026719126 561814808 /nfs/dbraw/zinc/81/48/08/561814808.db2.gz PRDRZXROMYANHC-PXJZQJOASA-N 1 1 532.706 5.396 1 0 KKAFMO O=C(C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000026745780 561818776 /nfs/dbraw/zinc/81/87/76/561818776.db2.gz ZGHWPXSSDHUBPG-UHFFFAOYSA-N 1 1 610.201 7.840 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843211 561826158 /nfs/dbraw/zinc/82/61/58/561826158.db2.gz WSYQSMJFBSIBRN-GDLZYMKVSA-N 1 1 701.539 7.311 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848223 561826890 /nfs/dbraw/zinc/82/68/90/561826890.db2.gz YYLWLQSLLOQPBL-LJAQVGFWSA-N 1 1 565.545 5.273 1 0 KKAFMO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC(C)C ZINC000026966889 561830072 /nfs/dbraw/zinc/83/00/72/561830072.db2.gz ZNXPJTFTPLLCKK-RUZDIDTESA-N 1 1 559.585 5.799 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027188250 561843088 /nfs/dbraw/zinc/84/30/88/561843088.db2.gz DUHUSDFRRFGDLW-OFSOJUDTSA-N 1 1 562.776 6.536 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000027207720 561846282 /nfs/dbraw/zinc/84/62/82/561846282.db2.gz BHKDMCGCJODKJK-WIYBCGNWSA-N 1 1 570.265 5.184 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000027207716 561846288 /nfs/dbraw/zinc/84/62/88/561846288.db2.gz BHKDMCGCJODKJK-PPGORRQASA-N 1 1 570.265 5.184 1 0 KKAFMO CC[N@@H+](CCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027317860 561852097 /nfs/dbraw/zinc/85/20/97/561852097.db2.gz DCFBHPPNUQRKFN-UHFFFAOYSA-N 1 1 538.541 7.652 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Br)cc(Br)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027320197 561852460 /nfs/dbraw/zinc/85/24/60/561852460.db2.gz GQZQNFXJPOBBDE-UHFFFAOYSA-N 1 1 606.144 7.815 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027325562 561853402 /nfs/dbraw/zinc/85/34/02/561853402.db2.gz QNFZINQSZYSEGF-UHFFFAOYSA-N 1 1 595.715 6.941 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027325562 561853403 /nfs/dbraw/zinc/85/34/03/561853403.db2.gz QNFZINQSZYSEGF-UHFFFAOYSA-N 1 1 595.715 6.941 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027331492 561855138 /nfs/dbraw/zinc/85/51/38/561855138.db2.gz LNRZLOCRAANHBI-UHFFFAOYSA-N 1 1 664.826 6.682 1 0 KKAFMO COc1cc(CN2CC[N@@H+]([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000027441937 561860792 /nfs/dbraw/zinc/86/07/92/561860792.db2.gz ONJMXWFIKVVLCT-LQJZCPKCSA-N 1 1 702.736 8.437 1 0 KKAFMO CNC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027526258 561866319 /nfs/dbraw/zinc/86/63/19/561866319.db2.gz DCGSNFHTNRDXFG-LJAQVGFWSA-N 1 1 566.693 5.137 1 0 KKAFMO COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547504 561867249 /nfs/dbraw/zinc/86/72/49/561867249.db2.gz HBQUUZVSFQDTPW-WJOKGBTCSA-N 1 1 555.744 6.949 1 0 KKAFMO Cc1ncc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c1OC(C)(C)OC2 ZINC000027657260 561878082 /nfs/dbraw/zinc/87/80/82/561878082.db2.gz AJDNKNBOMNPMDU-WUKNDPDISA-N 1 1 554.735 5.352 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C(C)C)cc3)cc1)CC2 ZINC000027657792 561878256 /nfs/dbraw/zinc/87/82/56/561878256.db2.gz IHWSOHYQIOIGLP-UHFFFAOYSA-N 1 1 577.725 6.933 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cc4ccccc4cn3)cc1)CC2 ZINC000027705430 561878628 /nfs/dbraw/zinc/87/86/28/561878628.db2.gz HTCMDXXNHXLPRD-UHFFFAOYSA-N 1 1 586.692 6.357 1 0 KKAFMO Fc1ccc(C(=CCC[N@@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)c2ccc(F)cc2)cc1 ZINC000027724238 561880730 /nfs/dbraw/zinc/88/07/30/561880730.db2.gz SIDZPDJJPHAWML-UHFFFAOYSA-N 1 1 526.577 8.067 1 0 KKAFMO Fc1ccc(C(=CCC[N@H+]2CCc3c(c4cc(F)ccc4n3-c3ccc(F)cc3)C2)c2ccc(F)cc2)cc1 ZINC000027724238 561880732 /nfs/dbraw/zinc/88/07/32/561880732.db2.gz SIDZPDJJPHAWML-UHFFFAOYSA-N 1 1 526.577 8.067 1 0 KKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000027725725 561880845 /nfs/dbraw/zinc/88/08/45/561880845.db2.gz OSPSRUWHYMZFBP-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000027725725 561880846 /nfs/dbraw/zinc/88/08/46/561880846.db2.gz OSPSRUWHYMZFBP-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO Cc1cccc(CN(CC[NH2+]CCCO)Cc2cccc(CN(Cc3cccc(C)c3)Cc3cccc(C)c3)n2)c1 ZINC000027767607 561884763 /nfs/dbraw/zinc/88/47/63/561884763.db2.gz AEJLRQPSHBYUDO-UHFFFAOYSA-N 1 1 550.791 6.183 1 0 KKAFMO Clc1ccc2c(c1Cl)CN(CCCCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862893 561887311 /nfs/dbraw/zinc/88/73/11/561887311.db2.gz OYNBFGLADDUAJB-UHFFFAOYSA-N 1 1 514.368 8.057 1 0 KKAFMO Clc1ccc2c(c1Cl)CN(CCCCCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862893 561887312 /nfs/dbraw/zinc/88/73/12/561887312.db2.gz OYNBFGLADDUAJB-UHFFFAOYSA-N 1 1 514.368 8.057 1 0 KKAFMO Cc1ccccc1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)[C@H](C)C2)CC1 ZINC000027873306 561888406 /nfs/dbraw/zinc/88/84/06/561888406.db2.gz YPJAGLUHTJBDET-RPBOFIJWSA-N 1 1 613.746 6.219 1 0 KKAFMO Cc1ccccc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)[C@H](C)C2)CC1 ZINC000027873306 561888408 /nfs/dbraw/zinc/88/84/08/561888408.db2.gz YPJAGLUHTJBDET-RPBOFIJWSA-N 1 1 613.746 6.219 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 ZINC000027873498 561888523 /nfs/dbraw/zinc/88/85/23/561888523.db2.gz QZDNKVRFWDKMFY-UHFFFAOYSA-N 1 1 644.175 6.657 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H]1C ZINC000027875715 561888680 /nfs/dbraw/zinc/88/86/80/561888680.db2.gz DZOYJXBICDVBKC-YADHBBJMSA-N 1 1 644.621 5.927 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H]1C ZINC000027875715 561888681 /nfs/dbraw/zinc/88/86/81/561888681.db2.gz DZOYJXBICDVBKC-YADHBBJMSA-N 1 1 644.621 5.927 1 0 KKAFMO COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CC[N@@H+](C)CCCCc3ccccc3)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000027877261 561888743 /nfs/dbraw/zinc/88/87/43/561888743.db2.gz VXQKXTHFVVRBPP-JTSJOTPCSA-N 1 1 582.663 6.273 1 0 KKAFMO Cc1nc2cc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5C6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)ccc2[nH]1 ZINC000027897867 561890556 /nfs/dbraw/zinc/89/05/56/561890556.db2.gz ONPNRCWCFNPMNG-BKLRJVBYSA-N 1 1 601.839 8.003 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028005971 561895473 /nfs/dbraw/zinc/89/54/73/561895473.db2.gz KUMDPCIGXPKGHU-HKBQPEDESA-N 1 1 566.720 5.822 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017895 561897716 /nfs/dbraw/zinc/89/77/16/561897716.db2.gz SBOQQQJCTLABKQ-NWLDEYSWSA-N 1 1 590.784 6.036 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4cccc5ccccc54)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028011326 561896424 /nfs/dbraw/zinc/89/64/24/561896424.db2.gz SFZUCFWFYJJCGY-RJISLUCMSA-N 1 1 576.785 7.158 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC(F)(F)F)CC2)[C@@H](c2ccccc2)C1 ZINC000028011899 561896537 /nfs/dbraw/zinc/89/65/37/561896537.db2.gz KYMFFPXQUJYRLZ-DEIXXNFJSA-N 1 1 622.776 6.965 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028012925 561896706 /nfs/dbraw/zinc/89/67/06/561896706.db2.gz ZTRZGKAWUDWYGL-MGBGTMOVSA-N 1 1 594.774 6.602 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3nocc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015558 561897252 /nfs/dbraw/zinc/89/72/52/561897252.db2.gz SXGWCYQQRNNIRO-RKKDRKJOSA-N 1 1 541.736 6.194 1 0 KKAFMO CCn1nc(Cc2ccc(C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016359 561897485 /nfs/dbraw/zinc/89/74/85/561897485.db2.gz GNLVMLODDVHEOL-HQRWHSCBSA-N 1 1 574.785 6.336 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028017190 561897526 /nfs/dbraw/zinc/89/75/26/561897526.db2.gz XNRDIULNKXSIMU-PTTLIBFYSA-N 1 1 632.865 7.205 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5ccccc5c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028020332 561898418 /nfs/dbraw/zinc/89/84/18/561898418.db2.gz DKYYISTXVPXPTC-JKULCMLZSA-N 1 1 610.818 7.180 1 0 KKAFMO COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1c[nH]c3ccc(OCc4ccccc4)cc13)CC2 ZINC000028023015 561898781 /nfs/dbraw/zinc/89/87/81/561898781.db2.gz BAKSTZOVUHNKDI-UHFFFAOYSA-N 1 1 541.692 5.256 1 0 KKAFMO COc1cc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000028022773 561898805 /nfs/dbraw/zinc/89/88/05/561898805.db2.gz ZMSFSLCQKJLFEX-UHFFFAOYSA-N 1 1 550.721 5.856 1 0 KKAFMO CCn1nc(Cc2cccc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086976 561899248 /nfs/dbraw/zinc/89/92/48/561899248.db2.gz YJMCMZGIYUMSRA-HMQVCXRFSA-N 1 1 604.786 6.701 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccccc1 ZINC000028092267 561900141 /nfs/dbraw/zinc/90/01/41/561900141.db2.gz UKXFQNNXQPKCRG-AOYPEHQESA-N 1 1 516.605 5.248 1 0 KKAFMO O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028093150 561900392 /nfs/dbraw/zinc/90/03/92/561900392.db2.gz STUWFURQGSMWES-UUWRZZSWSA-N 1 1 607.883 7.496 1 0 KKAFMO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028095638 561900807 /nfs/dbraw/zinc/90/08/07/561900807.db2.gz LTMRDWVSJXSDFC-OKRUAUFTSA-N 1 1 604.811 6.426 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028101574 561901676 /nfs/dbraw/zinc/90/16/76/561901676.db2.gz TYHJTHRDXNOUJP-UHFFFAOYSA-N 1 1 550.721 6.204 1 0 KKAFMO O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028101221 561901738 /nfs/dbraw/zinc/90/17/38/561901738.db2.gz ZNXQAFLLESPBNZ-BYYXFNHRSA-N 1 1 662.919 6.317 1 0 KKAFMO CN(C)c1nc(NCC2CCC(C[N@@H+](C)Cc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028134008 561906326 /nfs/dbraw/zinc/90/63/26/561906326.db2.gz KSWFHJFVFLWBLC-UHFFFAOYSA-N 1 1 580.493 6.707 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)COc2ccc(C(C)(C)C)cc2)C1)[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000028136667 561906783 /nfs/dbraw/zinc/90/67/83/561906783.db2.gz SXVLTSDSQOWRHK-IZLXSDGUSA-N 1 1 569.190 5.308 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(NC(=O)c3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241456 561910511 /nfs/dbraw/zinc/91/05/11/561910511.db2.gz BUQOFLIIFITOQJ-UHFFFAOYSA-N 1 1 698.795 8.092 1 0 KKAFMO CCC[N@@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028330477 561912717 /nfs/dbraw/zinc/91/27/17/561912717.db2.gz FVWCNIKFUOASRR-UHFFFAOYSA-N 1 1 522.851 8.320 1 0 KKAFMO CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234198 561909541 /nfs/dbraw/zinc/90/95/41/561909541.db2.gz CUHYWMPQBBEVBL-MLKSZZLFSA-N 1 1 534.638 6.374 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[S@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236022 561909691 /nfs/dbraw/zinc/90/96/91/561909691.db2.gz JYYACAFJPRJWFF-WYPQCJHRSA-N 1 1 558.735 5.534 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[S@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236022 561909693 /nfs/dbraw/zinc/90/96/93/561909693.db2.gz JYYACAFJPRJWFF-WYPQCJHRSA-N 1 1 558.735 5.534 1 0 KKAFMO CCC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238513 561910115 /nfs/dbraw/zinc/91/01/15/561910115.db2.gz XWMQCIPHPXPSTF-UHFFFAOYSA-N 1 1 650.751 7.188 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1nccc2ccccc21 ZINC000028472492 561927283 /nfs/dbraw/zinc/92/72/83/561927283.db2.gz FYWJICYTASRDFO-NRFANRHFSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)Oc1ccccc1 ZINC000028567335 561936664 /nfs/dbraw/zinc/93/66/64/561936664.db2.gz KQRGFLVMMWWNDC-XNLCPIGASA-N 1 1 571.802 8.177 1 0 KKAFMO O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)Oc1ccccc1 ZINC000028567338 561936698 /nfs/dbraw/zinc/93/66/98/561936698.db2.gz KQRGFLVMMWWNDC-MPCGXURCSA-N 1 1 571.802 8.177 1 0 KKAFMO C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028568944 561937636 /nfs/dbraw/zinc/93/76/36/561937636.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 1 515.673 5.343 1 0 KKAFMO C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])CC3)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028568944 561937638 /nfs/dbraw/zinc/93/76/38/561937638.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 1 515.673 5.343 1 0 KKAFMO C[C@@H]1CN([C@@H](c2cccc(F)c2)c2ccc3c(c2)C[N@H+](CCC(=O)[O-])CC3)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028568944 561937640 /nfs/dbraw/zinc/93/76/40/561937640.db2.gz YFKDDYKOGLKXSH-FXZPAHAQSA-N 1 1 515.673 5.343 1 0 KKAFMO COc1cc2c(cc1OC)CN(CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@@H+]3CCCc1ccccc1)CC2 ZINC000028571205 561939225 /nfs/dbraw/zinc/93/92/25/561939225.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 1 1 611.827 5.717 1 0 KKAFMO COc1cc2c(cc1OC)CN(CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@H+]3CCCc1ccccc1)CC2 ZINC000028571205 561939227 /nfs/dbraw/zinc/93/92/27/561939227.db2.gz MIVHPDORSIATDU-HKBRZJSISA-N 1 1 611.827 5.717 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000028572268 561939934 /nfs/dbraw/zinc/93/99/34/561939934.db2.gz HZZAYXBBVGQYQB-DFZDUAMZSA-N 1 1 536.589 5.575 1 0 KKAFMO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2CCC[NH+]2CCOCC2)ccn1 ZINC000028635733 561941093 /nfs/dbraw/zinc/94/10/93/561941093.db2.gz WXMUCUAFWKNCOB-HUESYALOSA-N 1 1 607.777 5.462 1 0 KKAFMO CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2CCC[NH+]2CCOCC2)ccn1 ZINC000028635731 561941116 /nfs/dbraw/zinc/94/11/16/561941116.db2.gz WXMUCUAFWKNCOB-WBCKFURZSA-N 1 1 607.777 5.462 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000028645324 561944580 /nfs/dbraw/zinc/94/45/80/561944580.db2.gz UAKDPJAUOVRMIX-FRKLKZNZSA-N 1 1 550.587 7.206 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646207 561944930 /nfs/dbraw/zinc/94/49/30/561944930.db2.gz NTBLOUVNUSNVNG-WJOKGBTCSA-N 1 1 549.601 5.531 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Br)cc2)CC1 ZINC000028646213 561944997 /nfs/dbraw/zinc/94/49/97/561944997.db2.gz FCNCDDRBEIHYQX-WJOKGBTCSA-N 1 1 549.601 5.531 1 0 KKAFMO C[N@H+](CCCOC/C=C/COc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1)CCc1ccc(F)cc1 ZINC000028710572 561951459 /nfs/dbraw/zinc/95/14/59/561951459.db2.gz FTIZLGLUFKODAY-NSCUHMNNSA-N 1 1 512.021 5.932 1 0 KKAFMO C[N@@H+](CCCOC/C=C/COc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1)CCc1ccc(F)cc1 ZINC000028710572 561951461 /nfs/dbraw/zinc/95/14/61/561951461.db2.gz FTIZLGLUFKODAY-NSCUHMNNSA-N 1 1 512.021 5.932 1 0 KKAFMO CCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704062 561948272 /nfs/dbraw/zinc/94/82/72/561948272.db2.gz QVUCDCFWXARAJF-UDJVMPNMSA-N 1 1 528.634 7.106 1 0 KKAFMO COc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 ZINC000028707552 561950017 /nfs/dbraw/zinc/95/00/17/561950017.db2.gz IQBKNLZJPZVXMN-HNRBIFIRSA-N 1 1 506.650 5.677 1 0 KKAFMO CC(C)[N@H+]1CCC[C@@H](Cn2c(=O)c3cc(Oc4ccc(F)cc4)ccc3nc2-c2ccc(OCCO)cc2F)C1 ZINC000028712171 561952839 /nfs/dbraw/zinc/95/28/39/561952839.db2.gz RAEJKTOPJXEBES-OAQYLSRUSA-N 1 1 549.618 5.626 1 0 KKAFMO Cc1cnc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000028712458 561952941 /nfs/dbraw/zinc/95/29/41/561952941.db2.gz PXLGTQTYMBVHFH-UHFFFAOYSA-N 1 1 524.694 5.885 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1 ZINC000028712500 561953001 /nfs/dbraw/zinc/95/30/01/561953001.db2.gz KEOZDNQHXGUGES-UHFFFAOYSA-N 1 1 508.642 5.052 1 0 KKAFMO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)CC2)cc1OC ZINC000028714009 561954403 /nfs/dbraw/zinc/95/44/03/561954403.db2.gz KFUYKTYUJHLOPQ-UHFFFAOYSA-N 1 1 661.759 6.096 1 0 KKAFMO CC[N@@H+](CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766555 561959809 /nfs/dbraw/zinc/95/98/09/561959809.db2.gz NHPXDBZGHFXSRP-MUUNZHRXSA-N 1 1 525.730 6.869 1 0 KKAFMO c1ccc(C(CCCCN2CC[NH+](CCCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)c2ccccc2)cc1 ZINC000028816349 561964129 /nfs/dbraw/zinc/96/41/29/561964129.db2.gz QRSZJGGQSYYERE-GSFSDPDBSA-N 1 1 680.933 9.994 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816504 561964233 /nfs/dbraw/zinc/96/42/33/561964233.db2.gz ZVFYYUNCJRTCOQ-BBVXACFBSA-N 1 1 546.133 5.177 1 0 KKAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000028818473 561965218 /nfs/dbraw/zinc/96/52/18/561965218.db2.gz JPJXVZBGYBEWQN-UIOOFZCWSA-N 1 1 576.166 5.784 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825209 561970580 /nfs/dbraw/zinc/97/05/80/561970580.db2.gz QOPWWVFDWSBQHN-NAKRPHOHSA-N 1 1 588.818 5.442 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873107 561974779 /nfs/dbraw/zinc/97/47/79/561974779.db2.gz QEXXYGNBTIMULY-UHFFFAOYSA-N 1 1 650.864 5.891 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(F)cc2)n1C ZINC000028897671 561979384 /nfs/dbraw/zinc/97/93/84/561979384.db2.gz GKXOETCIZGEUHB-UHFFFAOYSA-N 1 1 597.081 5.905 1 0 KKAFMO CC(=O)N[C@H](c1cc(C)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1)C(C)C ZINC000028960039 561983885 /nfs/dbraw/zinc/98/38/85/561983885.db2.gz RJCWIAPKBSNOLS-LXQNXJGFSA-N 1 1 539.164 5.254 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@@H]3CCC[N@H+](CC(C)C)C3)n2)s1 ZINC000028961219 561984065 /nfs/dbraw/zinc/98/40/65/561984065.db2.gz CGFALRMOMFBRRO-FQEVSTJZSA-N 1 1 598.695 7.303 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[NH+]2CCN(C(=O)N3CCCC3)CC2)c1 ZINC000028961505 561984343 /nfs/dbraw/zinc/98/43/43/561984343.db2.gz DVDTYQUTDJGBKU-UHFFFAOYSA-N 1 1 601.861 6.320 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+]2CC[C@H](C(=O)N3CCOCC3)[C@H](C)C2)c1 ZINC000028961721 561984426 /nfs/dbraw/zinc/98/44/26/561984426.db2.gz ATYOFXVORANGGC-NQLJOZAMSA-N 1 1 630.899 6.304 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040073 561990371 /nfs/dbraw/zinc/99/03/71/561990371.db2.gz XLRKVUXIKLTNKO-TVIOGVOPSA-N 1 1 550.587 7.063 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040088 561990404 /nfs/dbraw/zinc/99/04/04/561990404.db2.gz UWBHMEUINMIHQE-IFMRBHNFSA-N 1 1 564.614 7.453 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042847 561991588 /nfs/dbraw/zinc/99/15/88/561991588.db2.gz FCROUWTVYBCUMB-FVVBACEJSA-N 1 1 578.119 6.565 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2F)CC1 ZINC000029043366 561992072 /nfs/dbraw/zinc/99/20/72/561992072.db2.gz PWADIMGJQZHREF-XQFUHLNNSA-N 1 1 576.584 6.940 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048663 561993734 /nfs/dbraw/zinc/99/37/34/561993734.db2.gz CYXZZISOTXHUNO-VEEOACQBSA-N 1 1 555.078 6.369 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049357 561994029 /nfs/dbraw/zinc/99/40/29/561994029.db2.gz UMQRZRZFTLDGQG-ZQWAWDFXSA-N 1 1 567.133 7.484 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029126898 561999072 /nfs/dbraw/zinc/99/90/72/561999072.db2.gz XURXMJIMPKTNSF-KRWDZBQOSA-N 1 1 645.549 7.233 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(Br)c4CC3)n2C)n1 ZINC000029126898 561999074 /nfs/dbraw/zinc/99/90/74/561999074.db2.gz XURXMJIMPKTNSF-KRWDZBQOSA-N 1 1 645.549 7.233 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(CC(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127081 561999341 /nfs/dbraw/zinc/99/93/41/561999341.db2.gz LAGGNVKIMAMGMQ-UHFFFAOYSA-N 1 1 566.653 6.168 1 0 KKAFMO CCc1nn(C)c2cc3c(cc12)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127167 561999559 /nfs/dbraw/zinc/99/95/59/561999559.db2.gz FXBRDXOXJHZPDA-UHFFFAOYSA-N 1 1 525.726 5.371 1 0 KKAFMO CCCc1nc2cc3c(cc2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127512 561999941 /nfs/dbraw/zinc/99/99/41/561999941.db2.gz UKHPZHQUPSAUMR-UHFFFAOYSA-N 1 1 526.710 6.015 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(C)C)oc5cc4CC3)n2C)n1 ZINC000029127510 561999968 /nfs/dbraw/zinc/99/99/68/561999968.db2.gz NRQJARQPULKWBG-UHFFFAOYSA-N 1 1 526.710 6.186 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)CCc4ccc(F)c(F)c4)cc3oc2=O)cc1 ZINC000029131496 562003217 /nfs/dbraw/zinc/00/32/17/562003217.db2.gz QTSCLJVLMGAFJO-UHFFFAOYSA-N 1 1 596.674 6.888 1 0 KKAFMO O=C(c1ccc2oc(C[N@@H+]3CCCC[C@H]3Cn3cc(C(F)(F)F)ccc3=O)cc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000029213161 562005992 /nfs/dbraw/zinc/00/59/92/562005992.db2.gz NLUGILSLRFHNCM-NDEPHWFRSA-N 1 1 648.682 6.429 1 0 KKAFMO CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029400462 562019594 /nfs/dbraw/zinc/01/95/94/562019594.db2.gz DFFKKGAFYQETOC-UHFFFAOYSA-N 1 1 623.585 6.160 1 0 KKAFMO CC(=O)OCC[NH+](CCOC(C)=O)Cc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)c1 ZINC000029402739 562019994 /nfs/dbraw/zinc/01/99/94/562019994.db2.gz LVXCRCBVLHOUPU-UHFFFAOYSA-N 1 1 579.782 6.495 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+](CCCCc2ccncc2)C(C)C)c1 ZINC000029417121 562023109 /nfs/dbraw/zinc/02/31/09/562023109.db2.gz DVIIIKHQAIRGHA-UHFFFAOYSA-N 1 1 604.883 8.554 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+](CCCCc2ccncc2)CC(C)C)c1 ZINC000029464344 562023648 /nfs/dbraw/zinc/02/36/48/562023648.db2.gz OOAJRTTYQBLLKA-UHFFFAOYSA-N 1 1 618.910 8.801 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470945 562025565 /nfs/dbraw/zinc/02/55/65/562025565.db2.gz QWLVQDXAULJUAE-MWWYDIPRSA-N 1 1 708.003 5.437 1 0 KKAFMO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000029489735 562029191 /nfs/dbraw/zinc/02/91/91/562029191.db2.gz OGKLLMOSPWTKLM-IMEMCKAMSA-N 1 1 668.835 6.077 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556321 562032179 /nfs/dbraw/zinc/03/21/79/562032179.db2.gz SPFGPGBVMIWKQQ-PMERELPUSA-N 1 1 582.744 5.488 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556398 562032199 /nfs/dbraw/zinc/03/21/99/562032199.db2.gz MMLGLMNYHUOLBO-SSEXGKCCSA-N 1 1 550.677 5.188 1 0 KKAFMO Fc1ccc(Cn2c3ccccc3nc2NC2CCN(CC[NH+](Cc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000029562658 562033567 /nfs/dbraw/zinc/03/35/67/562033567.db2.gz NUJYKVDVUYYGQC-UHFFFAOYSA-N 1 1 547.722 6.802 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029562963 562033642 /nfs/dbraw/zinc/03/36/42/562033642.db2.gz YLNVCIXBNIKTSY-HKBQPEDESA-N 1 1 596.746 5.701 1 0 KKAFMO Cc1oc2c(c1C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)c(C)c(O)c(C)c2C ZINC000029566156 562034426 /nfs/dbraw/zinc/03/44/26/562034426.db2.gz STSBQJOWYHTJEK-IVZMSFFOSA-N 1 1 506.624 5.739 1 0 KKAFMO CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029568972 562035081 /nfs/dbraw/zinc/03/50/81/562035081.db2.gz YQYPMWNVIHIRGQ-INTNPECTSA-N 1 1 604.876 7.255 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)[nH+]c2ccccn21 ZINC000033699301 562037360 /nfs/dbraw/zinc/03/73/60/562037360.db2.gz NBAITCMCYHMTJB-UHFFFAOYSA-N 1 1 531.700 8.366 1 0 KKAFMO CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503567 562037420 /nfs/dbraw/zinc/03/74/20/562037420.db2.gz RNPPRRQXTVGBHF-PVTPYKNESA-N 1 1 501.671 5.270 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccccn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 562037608 /nfs/dbraw/zinc/03/76/08/562037608.db2.gz PEOZESLDPFYTRU-WYMJOSIYSA-N 1 1 504.650 5.012 1 0 KKAFMO CCCCOc1ccc([C@@H](C)NCCC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1OCCCC ZINC000033922525 562037873 /nfs/dbraw/zinc/03/78/73/562037873.db2.gz VSFIKHFVWBEFKU-MUUNZHRXSA-N 1 1 516.770 7.897 1 0 in-vitro KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000034315189 562038708 /nfs/dbraw/zinc/03/87/08/562038708.db2.gz QBYNQYINMMMSLW-UHFFFAOYSA-N 1 1 520.949 7.277 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000034315189 562038709 /nfs/dbraw/zinc/03/87/09/562038709.db2.gz QBYNQYINMMMSLW-UHFFFAOYSA-N 1 1 520.949 7.277 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1 ZINC000036089400 562046899 /nfs/dbraw/zinc/04/68/99/562046899.db2.gz MZZWDJMFTYZXCL-UHFFFAOYSA-N 1 1 606.295 5.720 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)CC1 ZINC000036089450 562047076 /nfs/dbraw/zinc/04/70/76/562047076.db2.gz SAOAAHJLTCTWAK-UHFFFAOYSA-N 1 1 513.951 5.481 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2 ZINC000036215315 562051143 /nfs/dbraw/zinc/05/11/43/562051143.db2.gz ACKGCCXJFAZCFF-UHFFFAOYSA-N 1 1 536.547 6.209 1 0 KKAFMO c1ccc(CNc2ccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)cc1 ZINC000036241949 562052116 /nfs/dbraw/zinc/05/21/16/562052116.db2.gz VJPQSHDXMIHCLK-UHFFFAOYSA-N 1 1 505.670 6.173 1 0 KKAFMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294661 562054785 /nfs/dbraw/zinc/05/47/85/562054785.db2.gz MUAQEKVYFBHQJO-FQEVSTJZSA-N 1 1 526.855 5.899 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322395 562055244 /nfs/dbraw/zinc/05/52/44/562055244.db2.gz FPXIRXAXVYUYRD-PKTZIBPZSA-N 1 1 537.491 6.242 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322408 562055267 /nfs/dbraw/zinc/05/52/67/562055267.db2.gz BCMOURGLNMDTBL-RPBOFIJWSA-N 1 1 565.545 7.022 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331634 562056746 /nfs/dbraw/zinc/05/67/46/562056746.db2.gz CSRZZCNRHSUYEM-UHFFFAOYSA-N 1 1 629.729 7.214 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331634 562056748 /nfs/dbraw/zinc/05/67/48/562056748.db2.gz CSRZZCNRHSUYEM-UHFFFAOYSA-N 1 1 629.729 7.214 1 0 KKAFMO CC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338704 562057128 /nfs/dbraw/zinc/05/71/28/562057128.db2.gz ORYJSCZSOMBCKS-URLMMPGGSA-N 1 1 530.713 5.002 1 0 KKAFMO CC(=O)CCCCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338704 562057129 /nfs/dbraw/zinc/05/71/29/562057129.db2.gz ORYJSCZSOMBCKS-URLMMPGGSA-N 1 1 530.713 5.002 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCCC5)c4)C[C@H]23)CC1 ZINC000036351558 562058569 /nfs/dbraw/zinc/05/85/69/562058569.db2.gz MWHZSDYFOZVOAE-XOPMNVLASA-N 1 1 554.154 5.671 1 0 KKAFMO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000036352003 562059517 /nfs/dbraw/zinc/05/95/17/562059517.db2.gz WCKZXUZPEYGEII-NHCUHLMSSA-N 1 1 525.524 6.209 1 0 KKAFMO COc1ccc([C@H]2C=CC[N@@H+](CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388578 562060315 /nfs/dbraw/zinc/06/03/15/562060315.db2.gz PMFCRKQEBIMFMP-CZNDPXEESA-N 1 1 526.696 6.968 1 0 KKAFMO COc1ccc([C@@H]2C=CC[N@@H+](CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388574 562060374 /nfs/dbraw/zinc/06/03/74/562060374.db2.gz PMFCRKQEBIMFMP-JHOUSYSJSA-N 1 1 526.696 6.968 1 0 KKAFMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036415300 562060686 /nfs/dbraw/zinc/06/06/86/562060686.db2.gz JCEFNPWMPAOQID-JGCGQSQUSA-N 1 1 528.618 7.161 1 0 KKAFMO CCNC(=O)c1cc2c(nc(N)nc2-c2cc(OCC[NH+]3CCC(F)(F)CC3)c(Cl)cc2Cl)s1 ZINC000037246103 562061626 /nfs/dbraw/zinc/06/16/26/562061626.db2.gz FRQWOJZIGXMKKS-UHFFFAOYSA-N 1 1 530.428 5.107 1 0 KKAFMO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)O[C@@H]3N(C)CC2 ZINC000038139373 562062554 /nfs/dbraw/zinc/06/25/54/562062554.db2.gz ZFVQCIZYTMRXPL-CYFIQEHSSA-N 1 1 596.680 6.350 1 0 in-vitro KKAFMO CC(C)CC[N@H+]1[C@@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150643 562066464 /nfs/dbraw/zinc/06/64/64/562066464.db2.gz KQBOOGKXOGILHG-RNCAPKPVSA-N 1 1 536.713 5.564 1 0 KKAFMO O=C([O-])[C@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154925 562067979 /nfs/dbraw/zinc/06/79/79/562067979.db2.gz BYTINRYNDVFJIV-NHKHRBQYSA-N 1 1 529.750 5.882 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040393415 562073976 /nfs/dbraw/zinc/07/39/76/562073976.db2.gz VJJXLWBGITZECT-VWLOTQADSA-N 1 1 522.049 5.424 1 0 KKAFMO C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c4ccccc4[nH]c3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000040413384 562075454 /nfs/dbraw/zinc/07/54/54/562075454.db2.gz GQGBHYPHRMQFHE-MGMSZRMWSA-N 1 1 517.028 6.911 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2[nH]1 ZINC000040576114 562078316 /nfs/dbraw/zinc/07/83/16/562078316.db2.gz IZFJEANBTQYYTG-UHFFFAOYSA-N 1 1 524.290 5.569 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CC[C@@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791358 562079813 /nfs/dbraw/zinc/07/98/13/562079813.db2.gz YTOSPVJBQKTTEV-QFIPXVFZSA-N 1 1 509.593 5.593 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950061 562085882 /nfs/dbraw/zinc/08/58/82/562085882.db2.gz RWSZLMVCERHQGM-NYDCQLBNSA-N 1 1 506.646 6.019 1 0 KKAFMO COc1cc2nccc(C[N@@H+]3CCc4c(cccc4C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2cc1OC ZINC000040954771 562086542 /nfs/dbraw/zinc/08/65/42/562086542.db2.gz VEKTYPUPLMBHTD-UHFFFAOYSA-N 1 1 521.539 6.081 1 0 KKAFMO COc1cc2nccc(C[N@H+]3CCc4c(cccc4C(=O)Nc4cccc(C(F)(F)F)c4)C3)c2cc1OC ZINC000040954771 562086543 /nfs/dbraw/zinc/08/65/43/562086543.db2.gz VEKTYPUPLMBHTD-UHFFFAOYSA-N 1 1 521.539 6.081 1 0 KKAFMO C[N@H+](CCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040972371 562086939 /nfs/dbraw/zinc/08/69/39/562086939.db2.gz NGLSSHZLKAEWJD-UHFFFAOYSA-N 1 1 507.600 5.879 1 0 KKAFMO CCc1nc(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090196 /nfs/dbraw/zinc/09/01/96/562090196.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 1 1 554.779 6.101 1 0 KKAFMO CCc1[nH]c(Cc2ccccc2)nc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090198 /nfs/dbraw/zinc/09/01/98/562090198.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 1 1 554.779 6.101 1 0 KKAFMO CCc1[nH]c(Cc2ccccc2)nc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000042807331 562090199 /nfs/dbraw/zinc/09/01/99/562090199.db2.gz LVGIIMUKRFZJRI-XAGDYJCDSA-N 1 1 554.779 6.101 1 0 KKAFMO CC[C@@]12CC[C@@H](C1)[C@@H]([C@H](O)C[C@H](O)CCc1ccc(O)c(OCC[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c1)CCC2 ZINC000085631995 560067808 /nfs/dbraw/zinc/06/78/08/560067808.db2.gz SPOOKOJZBDEIPY-KVQODJPUSA-N 1 1 574.786 6.320 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCC3)C[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532386 560072743 /nfs/dbraw/zinc/07/27/43/560072743.db2.gz ACNROMJFOLURHZ-PKKSVOHVSA-N 1 1 563.779 6.772 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532537 560072776 /nfs/dbraw/zinc/07/27/76/560072776.db2.gz CKWYTSCQVYJQKM-JYKSKESFSA-N 1 1 549.752 6.441 1 0 biogenic,in-vitro KKAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(Cc3ccccc3)CC2)nn1)OC1CCCC1 ZINC000044069415 562652114 /nfs/dbraw/zinc/65/21/14/562652114.db2.gz ALMDPFUYLOUHNS-ZPGRZCPFSA-N 1 1 591.800 6.797 1 0 KKAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4ccc(C(F)(F)F)cc4)ccc3CC[C@H]2O)cc1 ZINC000044306295 562653741 /nfs/dbraw/zinc/65/37/41/562653741.db2.gz SHYPXEXHUUCDSU-MPFGFTFXSA-N 1 1 601.691 5.198 1 0 KKAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4ccc(C(F)(F)F)cc4)ccc3CC[C@H]2O)cc1 ZINC000044306295 562653742 /nfs/dbraw/zinc/65/37/42/562653742.db2.gz SHYPXEXHUUCDSU-MPFGFTFXSA-N 1 1 601.691 5.198 1 0 KKAFMO Cc1cc(C)c2c(n[nH]c2OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n1 ZINC000044350726 562654351 /nfs/dbraw/zinc/65/43/51/562654351.db2.gz UIUZIKMYVPKHET-UHFFFAOYSA-N 1 1 593.093 8.350 1 0 KKAFMO C[NH+](C)[C@H](CNc1cc(=O)c2ccccc2[nH]1)CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000044430807 562657672 /nfs/dbraw/zinc/65/76/72/562657672.db2.gz FLGGLKJGPGVLGU-HXUWFJFHSA-N 1 1 578.371 7.186 1 0 KKAFMO C[N@@H+]([C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)C1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000045167722 562658071 /nfs/dbraw/zinc/65/80/71/562658071.db2.gz FQOWQNGUWRKVAS-FEDKPBDFSA-N 1 1 543.752 6.473 1 0 KKAFMO Cc1ccc(/C=C/C(=O)NCCCCC[N@H+]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000045186789 562658204 /nfs/dbraw/zinc/65/82/04/562658204.db2.gz JILZHXGMAZCRAB-JLHYYAGUSA-N 1 1 517.501 5.841 1 0 KKAFMO COc1ccccc1/C=C/C(=O)NC1CCC(CC[N@H+]2CCc3ccc(-c4cc(C)no4)cc3CC2)CC1 ZINC000045186990 562658207 /nfs/dbraw/zinc/65/82/07/562658207.db2.gz QIMQAIPCJIWCGL-SDNWHVSQSA-N 1 1 513.682 5.838 1 0 KKAFMO COc1cc(Br)c(NC(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CC[N@@H+](C)C3)c2)cc1OC ZINC000045192757 562658628 /nfs/dbraw/zinc/65/86/28/562658628.db2.gz XMWKMYOIZQTDML-CYBMUJFWSA-N 1 1 518.330 5.212 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4cccc(Cl)c4)CC2)CC3)on1 ZINC000045190952 562658507 /nfs/dbraw/zinc/65/85/07/562658507.db2.gz PFOPIGXHJNWHBZ-KPKJPENVSA-N 1 1 518.101 6.483 1 0 KKAFMO CCCCC[N@H+]1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045191191 562658553 /nfs/dbraw/zinc/65/85/53/562658553.db2.gz JXHFQTBGHGKBPZ-JOCHJYFZSA-N 1 1 511.610 5.281 1 0 KKAFMO CCOc1cc(C(=O)NCC2CC[NH+](CC3CCCCC3)CC2)ccc1-c1nc2ccc(Cl)cc2[nH]1 ZINC000045195672 562658943 /nfs/dbraw/zinc/65/89/43/562658943.db2.gz KUHCPUWKDDVONV-UHFFFAOYSA-N 1 1 509.094 6.304 1 0 KKAFMO Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202225 562659111 /nfs/dbraw/zinc/65/91/11/562659111.db2.gz SVNBCXOGKMCLJS-YIEPXFBBSA-N 1 1 531.528 6.114 1 0 KKAFMO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045227658 562659435 /nfs/dbraw/zinc/65/94/35/562659435.db2.gz ZOXQYQOWAXKIKN-IBGZPJMESA-N 1 1 521.587 5.738 1 0 KKAFMO Cc1cccc2nc(C3CC[NH+](CC4CCN(C(=O)C=Cc5ccc(Cl)c(Cl)c5)CC4)CC3)[nH]c21 ZINC000045230389 562659603 /nfs/dbraw/zinc/65/96/03/562659603.db2.gz YHFYLXKAGLAXDG-SOFGYWHQSA-N 1 1 511.497 6.310 1 0 KKAFMO O=C(NC[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301833 562660521 /nfs/dbraw/zinc/66/05/21/562660521.db2.gz FORAXJIIDUEKDC-GOSISDBHSA-N 1 1 502.558 5.457 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)c3)nc2c1 ZINC000045302062 562660584 /nfs/dbraw/zinc/66/05/84/562660584.db2.gz KEQYBWOKYPSZAY-UHFFFAOYSA-N 1 1 513.567 6.633 1 0 KKAFMO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045322590 562661111 /nfs/dbraw/zinc/66/11/11/562661111.db2.gz QFNWXBCCKJYIFU-IBGZPJMESA-N 1 1 521.587 5.738 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3cc4nccc(Nc5ccc(Oc6ccccc6)cc5)c4cc3Cl)o2)CC1 ZINC000045323700 562661168 /nfs/dbraw/zinc/66/11/68/562661168.db2.gz APQAABNEVANMSD-UHFFFAOYSA-N 1 1 525.052 7.432 1 0 KKAFMO CC(C)[N@@H+](C)[C@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045340275 562661623 /nfs/dbraw/zinc/66/16/23/562661623.db2.gz INOOWBQEHMZJJL-OSPHWJPCSA-N 1 1 518.054 5.117 1 0 KKAFMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(Cc3ccccc3)c3ccc(F)cc3F)cc2)C1 ZINC000045355224 562661851 /nfs/dbraw/zinc/66/18/51/562661851.db2.gz AWUWWSPJQVWBIM-HHHXNRCGSA-N 1 1 519.035 7.150 1 0 KKAFMO O=S(=O)(c1cccc2cccnc21)N(CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC000045372257 562662247 /nfs/dbraw/zinc/66/22/47/562662247.db2.gz POKYWZWHSFVCNV-UHFFFAOYSA-N 1 1 506.716 5.018 1 0 KKAFMO COc1cc(C[N@@H+](CC[C@H](c2ccccc2)c2c(O)ccc3ccccc32)Cc2ccccc2)cc(OC)c1 ZINC000045375292 562662320 /nfs/dbraw/zinc/66/23/20/562662320.db2.gz IQRGAPUWPNBRDH-MGBGTMOVSA-N 1 1 517.669 7.787 1 0 KKAFMO CC(C)Cn1cc(C2CCN(CC[NH+]3CCC(CNC(=O)c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)CC3)CC2)c2ccccc21 ZINC000049605220 562665509 /nfs/dbraw/zinc/66/55/09/562665509.db2.gz OSKBRBFMIBIHHI-UHFFFAOYSA-N 1 1 688.744 8.178 1 0 KKAFMO CC[C@@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605363 562665723 /nfs/dbraw/zinc/66/57/23/562665723.db2.gz LGRMYYUELOYAIG-JZTSUELASA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@@H+](C)CCN(C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605363 562665724 /nfs/dbraw/zinc/66/57/24/562665724.db2.gz LGRMYYUELOYAIG-JZTSUELASA-N 1 1 676.848 5.445 1 0 KKAFMO CC[C@@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[N@H+](C)CCN(C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605363 562665725 /nfs/dbraw/zinc/66/57/25/562665725.db2.gz LGRMYYUELOYAIG-JZTSUELASA-N 1 1 676.848 5.445 1 0 KKAFMO Cc1ccc(S(=O)(=O)N(CCCN2CCN(C)CC2)Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)cc1 ZINC000049605591 562666066 /nfs/dbraw/zinc/66/60/66/562666066.db2.gz HSTOCHBOESKCJZ-UHFFFAOYSA-N 1 1 603.858 5.237 1 0 KKAFMO C[NH+]1CCN(c2cc3c(cc2Cl)CCN3C(=O)Cc2ccc(NC(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000049605662 562666129 /nfs/dbraw/zinc/66/61/29/562666129.db2.gz VKWGOEQXOKKTJZ-UHFFFAOYSA-N 1 1 554.094 6.021 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCCC[NH+]3CCN(C)CC3)nc21 ZINC000049625812 562666905 /nfs/dbraw/zinc/66/69/05/562666905.db2.gz PWRJTRCMIRREJU-UHFFFAOYSA-N 1 1 603.600 5.021 1 0 KKAFMO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(C(F)(F)F)c1)CC2 ZINC000049626344 562667191 /nfs/dbraw/zinc/66/71/91/562667191.db2.gz ICTDNSCIVSSZQH-HSZRJFAPSA-N 1 1 590.568 6.632 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000049626962 562667456 /nfs/dbraw/zinc/66/74/56/562667456.db2.gz PMBJWUZQJIXPBK-NRFANRHFSA-N 1 1 537.648 5.528 1 0 KKAFMO CCC(=O)Nc1ccc2[nH+]ccc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4cccc(C)c4)cc3)c2c1 ZINC000049678840 562668675 /nfs/dbraw/zinc/66/86/75/562668675.db2.gz KDPYXTRRUCHGKB-UHFFFAOYSA-N 1 1 561.690 7.763 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@](CC[N@H+]3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710532 562671741 /nfs/dbraw/zinc/67/17/41/562671741.db2.gz NNCRUKJWFHRUPQ-CMVGPNDKSA-N 1 1 642.580 5.880 1 0 KKAFMO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722557 562672189 /nfs/dbraw/zinc/67/21/89/562672189.db2.gz ZTGKKBRUYNYCNY-OTWHNJEPSA-N 1 1 572.364 6.586 1 0 KKAFMO CSc1ccccc1NC(=S)NC1CC[NH+](CCCCCNC(=O)C=Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000049722914 562672695 /nfs/dbraw/zinc/67/26/95/562672695.db2.gz UYSFOFLLOMMVAH-ZRDIBKRKSA-N 1 1 565.636 6.466 1 0 KKAFMO O=C(Cc1cccnc1)N(Cc1ccc(-c2ccc(CNCc3cccnc3)cn2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000049723101 562672965 /nfs/dbraw/zinc/67/29/65/562672965.db2.gz ZYIUFHMRGVPXMV-UHFFFAOYSA-N 1 1 596.779 6.064 1 0 KKAFMO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745251 562673765 /nfs/dbraw/zinc/67/37/65/562673765.db2.gz GUNSFAQQGCFKPF-KSEOMHKRSA-N 1 1 539.454 5.558 1 0 KKAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc2ccccc2s1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049757379 562675932 /nfs/dbraw/zinc/67/59/32/562675932.db2.gz FDKCMKCKCOAXOX-HQGUKNTCSA-N 1 1 591.818 5.413 1 0 KKAFMO COc1ccc(C(=O)Nc2ccccc2NC(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1OC ZINC000049762133 562676363 /nfs/dbraw/zinc/67/63/63/562676363.db2.gz CRHUEJTVQJBKIR-UHFFFAOYSA-N 1 1 610.711 6.218 1 0 KKAFMO O=S(=O)(c1cccc2cccnc21)N(CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)CC1CCCCC1 ZINC000049766391 562677016 /nfs/dbraw/zinc/67/70/16/562677016.db2.gz JDDSTHHDIDUGFN-UHFFFAOYSA-N 1 1 574.713 6.037 1 0 KKAFMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767193 562677427 /nfs/dbraw/zinc/67/74/27/562677427.db2.gz NOBRZARFPUZXNK-FQEVSTJZSA-N 1 1 558.901 5.353 1 0 KKAFMO C[NH+](C)CC(=O)Nc1cccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 ZINC000049775143 562678934 /nfs/dbraw/zinc/67/89/34/562678934.db2.gz FQOBSFOIGPCIHS-UHFFFAOYSA-N 1 1 558.564 5.835 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)C=C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000049777543 562680136 /nfs/dbraw/zinc/68/01/36/562680136.db2.gz DCUWSELYVNIKSP-QURGRASLSA-N 1 1 629.794 7.216 1 0 KKAFMO S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777635 562680318 /nfs/dbraw/zinc/68/03/18/562680318.db2.gz NOGQVMFPQFEQBQ-GTKRZRNESA-N 1 1 680.044 6.958 1 0 KKAFMO Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc4ccccc4n3-c3cc(NCCC[NH+]4CCN(C)CC4)ncn3)c2)c1 ZINC000049777798 562680575 /nfs/dbraw/zinc/68/05/75/562680575.db2.gz QXIYOGPRUCDNIQ-UHFFFAOYSA-N 1 1 589.748 5.478 1 0 KKAFMO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CN(c2ccccc2)CCC1=O ZINC000049780575 562681947 /nfs/dbraw/zinc/68/19/47/562681947.db2.gz OOOQWLNJRCYLFI-XXFSJYBBSA-N 1 1 578.510 6.191 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC(C)(C)[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049793355 562684747 /nfs/dbraw/zinc/68/47/47/562684747.db2.gz FMQBTPGTROTRJJ-UICHKGEESA-N 1 1 607.739 5.024 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CC[NH+](Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802149 562685485 /nfs/dbraw/zinc/68/54/85/562685485.db2.gz GFOLTSIILMYURY-PMERELPUSA-N 1 1 628.908 6.639 1 0 KKAFMO C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)C[C@H](C)O1 ZINC000049833268 562687655 /nfs/dbraw/zinc/68/76/55/562687655.db2.gz ZOAZOJRIZYTSSL-WMPKNSHKSA-N 1 1 637.792 6.532 1 0 KKAFMO C[C@@H]1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)C[C@H](C)O1 ZINC000049833268 562687656 /nfs/dbraw/zinc/68/76/56/562687656.db2.gz ZOAZOJRIZYTSSL-WMPKNSHKSA-N 1 1 637.792 6.532 1 0 KKAFMO CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](Nc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049889076 562691761 /nfs/dbraw/zinc/69/17/61/562691761.db2.gz NMSAQZGSNBWOKQ-PANYSFOQSA-N 1 1 694.357 8.353 1 0 KKAFMO O=C(Nc1c(F)cccc1F)c1cccc(-c2nc3ccccn3c2-c2ccnc(Nc3ccc(CC[NH+]4CCOCC4)cc3)n2)c1 ZINC000049889315 562691986 /nfs/dbraw/zinc/69/19/86/562691986.db2.gz CBGHWZUASDJEQB-UHFFFAOYSA-N 1 1 631.687 6.607 1 0 KKAFMO COc1ccccc1OCCCc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049898873 562692995 /nfs/dbraw/zinc/69/29/95/562692995.db2.gz YCWGQZAZVGUKDL-DLFZDVPBSA-N 1 1 648.631 6.551 1 0 KKAFMO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@H+]4C)cc3)c1OC)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000049899406 562693083 /nfs/dbraw/zinc/69/30/83/562693083.db2.gz JKZGCTOQBIITDP-VMPREFPWSA-N 1 1 698.813 6.466 1 0 KKAFMO O=C(CN1CCCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)C[NH+]5CCCC5)cc4)c3)c2)cc1 ZINC000049899581 562693261 /nfs/dbraw/zinc/69/32/61/562693261.db2.gz CROYNBMTRRPDSN-UHFFFAOYSA-N 1 1 702.816 5.904 1 0 KKAFMO C[N@H+]1CCc2cc([N-]S(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)c(OCCC[NH+]3CCCCC3)cc2CC1 ZINC000049908051 562693415 /nfs/dbraw/zinc/69/34/15/562693415.db2.gz OQOYDQAKBGFPGJ-UHFFFAOYSA-N 1 1 568.183 6.093 1 0 KKAFMO CC[N@H+]1CC[C@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908034 562693442 /nfs/dbraw/zinc/69/34/42/562693442.db2.gz BETUISKNIITDDN-YTTGMZPUSA-N 1 1 673.726 7.874 1 0 KKAFMO CS(=O)(=O)CCNCc1nc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)cs1 ZINC000049908059 562693482 /nfs/dbraw/zinc/69/34/82/562693482.db2.gz KBKFSBFGLPLCGX-UHFFFAOYSA-N 1 1 531.663 5.423 1 0 KKAFMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917612 562693621 /nfs/dbraw/zinc/69/36/21/562693621.db2.gz HOZWLRIMHVJKNF-UFYCRDLUSA-N 1 1 605.916 6.952 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049917579 562693660 /nfs/dbraw/zinc/69/36/60/562693660.db2.gz KEASQMZNUZSVDB-UXBLZVDNSA-N 1 1 539.454 5.811 1 0 KKAFMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917615 562693688 /nfs/dbraw/zinc/69/36/88/562693688.db2.gz HOZWLRIMHVJKNF-XUVXKRRUSA-N 1 1 605.916 6.952 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917695 562693782 /nfs/dbraw/zinc/69/37/82/562693782.db2.gz CVACZFYQVUKCCT-MNNSJKJDSA-N 1 1 562.076 5.814 1 0 KKAFMO C[N@@H+](Cc1ccc(NC(=O)CCC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1)C1CCOCC1 ZINC000049917975 562694280 /nfs/dbraw/zinc/69/42/80/562694280.db2.gz APUCDZNKETVGSG-IZZDOVSWSA-N 1 1 558.550 6.275 1 0 KKAFMO O=C(NC1CC[NH+](CCN2CCC(c3ccccc3C(F)(F)F)CC2)CC1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000049918004 562694328 /nfs/dbraw/zinc/69/43/28/562694328.db2.gz CKTSZVHITRSKEP-UHFFFAOYSA-N 1 1 570.099 7.100 1 0 KKAFMO O=C(Nc1ccccc1)N[C@H]1CC[N@H+](CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918034 562694346 /nfs/dbraw/zinc/69/43/46/562694346.db2.gz MENBXQWQAZNXTG-SETSBSEESA-N 1 1 567.517 5.647 1 0 KKAFMO Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5nccc(N6CC[N@H+]7CCC[C@H]7C6)c5cc43)c3ccccc23)o1 ZINC000049918045 562694403 /nfs/dbraw/zinc/69/44/03/562694403.db2.gz XKPPMUQTJBGRJQ-QHCPKHFHSA-N 1 1 544.659 6.230 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)c(F)c2)CC1 ZINC000049918099 562694468 /nfs/dbraw/zinc/69/44/68/562694468.db2.gz CYGQDDBYEKVHJS-UHFFFAOYSA-N 1 1 574.459 5.766 1 0 KKAFMO Oc1ccc(Cc2cc(Oc3c(I)cc(CCc4[nH]cc[nH+]4)cc3I)ccc2O)cc1 ZINC000049918130 562694493 /nfs/dbraw/zinc/69/44/93/562694493.db2.gz FJQLYEGLSWMTGZ-UHFFFAOYSA-N 1 1 638.243 6.198 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 ZINC000049918250 562694673 /nfs/dbraw/zinc/69/46/73/562694673.db2.gz WPKQFXOCTRROEM-UHFFFAOYSA-N 1 1 666.686 5.644 1 0 KKAFMO CCCN(c1ncc(C(F)(F)F)cn1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000053073864 562696166 /nfs/dbraw/zinc/69/61/66/562696166.db2.gz OGKWLTVICQOPPH-MLKSZZLFSA-N 1 1 591.694 5.674 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000058503336 562698310 /nfs/dbraw/zinc/69/83/10/562698310.db2.gz YCMNXNTUMHDKAF-SXOMAYOGSA-N 1 1 574.791 5.052 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000058534552 562698677 /nfs/dbraw/zinc/69/86/77/562698677.db2.gz PVVAQUKXSCGSNX-PATLUPQASA-N 1 1 576.625 7.596 1 0 KKAFMO C[C@H](O)[C@H](CC[N@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058563049 562699349 /nfs/dbraw/zinc/69/93/49/562699349.db2.gz LRBSYXWKXPQNJU-HNEROVGYSA-N 1 1 554.575 6.034 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@](CC[N@H+]3CC[C@H]4c5ccccc5C[C@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000058593445 562700717 /nfs/dbraw/zinc/70/07/17/562700717.db2.gz UZTAOZVXKCECDZ-OYRZRQNVSA-N 1 1 611.566 6.191 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@](C)(c4ccccc4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000058623489 562701136 /nfs/dbraw/zinc/70/11/36/562701136.db2.gz YCNIGXYIMOZCSI-CLEXGEHSSA-N 1 1 658.792 5.656 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@H](C)CCCC(C)C)c(OC)c1 ZINC000059033317 562701613 /nfs/dbraw/zinc/70/16/13/562701613.db2.gz PMJQQUGWVIORDG-XMMPIXPASA-N 1 1 580.766 7.079 1 0 KKAFMO CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000059033389 562701670 /nfs/dbraw/zinc/70/16/70/562701670.db2.gz UMBOTWHGQWPMQM-QHCPKHFHSA-N 1 1 582.738 6.669 1 0 KKAFMO C[C@@H](Oc1cc(-n2cnc3ccc(O[C@H]4CCC[N@@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259520 562701957 /nfs/dbraw/zinc/70/19/57/562701957.db2.gz HLHNFPFYQRRGPP-MSOLQXFVSA-N 1 1 525.074 5.842 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059807919 562702391 /nfs/dbraw/zinc/70/23/91/562702391.db2.gz DBBZAQRWWGKFDO-ALQBRSPBSA-N 1 1 578.600 8.808 3 0 KKAFMO Cc1cccnc1[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1 ZINC000061904416 562703001 /nfs/dbraw/zinc/70/30/01/562703001.db2.gz JPKYRPXHLQPEJB-VWLOTQADSA-N 1 1 502.873 6.468 3 0 KKAFMO O=C(OCc1cn([C@@H]2C[N@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923782 562703543 /nfs/dbraw/zinc/70/35/43/562703543.db2.gz CXQUFXAIHBRRMW-ZONZVBGPSA-N 1 1 509.050 5.218 3 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000064379495 562704893 /nfs/dbraw/zinc/70/48/93/562704893.db2.gz KBMKKADZRZDNII-FLBADVGZSA-N 1 1 624.821 5.213 1 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000064379495 562704894 /nfs/dbraw/zinc/70/48/94/562704894.db2.gz KBMKKADZRZDNII-FLBADVGZSA-N 1 1 624.821 5.213 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447411 562705383 /nfs/dbraw/zinc/70/53/83/562705383.db2.gz ULFBVDCNWCBUQT-KVHIKELMSA-N 1 1 606.774 7.470 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448350 562705511 /nfs/dbraw/zinc/70/55/11/562705511.db2.gz BQNPHGJXMWFRFI-LIZUUOPFSA-N 1 1 592.747 7.162 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453591 562705635 /nfs/dbraw/zinc/70/56/35/562705635.db2.gz GWZWYWRLKFPZBS-PTEVRWOPSA-N 1 1 515.661 6.112 1 0 KKAFMO Clc1ccc([C@@H](c2ccccc2)N2CCC[N@@H+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491758 562705948 /nfs/dbraw/zinc/70/59/48/562705948.db2.gz RTXSHWCVMKPGAX-SSEXGKCCSA-N 1 1 519.520 7.141 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000064540330 562707745 /nfs/dbraw/zinc/70/77/45/562707745.db2.gz RLDHKTIILVTVIL-RDPSFJRHSA-N 1 1 505.610 5.642 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2CC[C@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549470 562708049 /nfs/dbraw/zinc/70/80/49/562708049.db2.gz MKRKVCYLRHDJLG-QHCPKHFHSA-N 1 1 502.482 5.003 1 0 KKAFMO Cc1ccccc1Nc1nc(NCCC[NH+]2CCOCC2)nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)n1 ZINC000066074548 562709809 /nfs/dbraw/zinc/70/98/09/562709809.db2.gz JRSHCOWPGZTVIG-UHFFFAOYSA-N 1 1 596.139 6.747 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074422 562709822 /nfs/dbraw/zinc/70/98/22/562709822.db2.gz JVAFIFLJBRUNJB-HKBQPEDESA-N 1 1 578.761 5.220 1 0 KKAFMO CCNC(=O)Nc1sc2cc(C(F)(F)F)ccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066074474 562709836 /nfs/dbraw/zinc/70/98/36/562709836.db2.gz RKBGGUPFHHMCMZ-UHFFFAOYSA-N 1 1 621.648 5.399 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(C)cc3)nc(Nc3cccc(Nc4ccnc5cc(Cl)ccc54)c3)n2)CC1 ZINC000066076709 562710189 /nfs/dbraw/zinc/71/01/89/562710189.db2.gz XXFHVTFZUJALDI-UHFFFAOYSA-N 1 1 566.113 6.754 1 0 KKAFMO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000066079566 562710603 /nfs/dbraw/zinc/71/06/03/562710603.db2.gz GKWOYHUYOVPTDE-UHFFFAOYSA-N 1 1 519.020 6.399 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104831 562711768 /nfs/dbraw/zinc/71/17/68/562711768.db2.gz FOMYDJXGULFNEY-FMHSGURNSA-N 1 1 581.639 5.575 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066113992 562712310 /nfs/dbraw/zinc/71/23/10/562712310.db2.gz WNPHLDLXBWNIPR-GJBCSVNNSA-N 1 1 642.036 6.660 3 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)O3)cc1 ZINC000066139121 562713457 /nfs/dbraw/zinc/71/34/57/562713457.db2.gz HDRLPDDVBLCGRV-UETOGOEVSA-N 1 1 552.716 5.071 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000066139352 562713491 /nfs/dbraw/zinc/71/34/91/562713491.db2.gz MPPRMBLAGUCTKA-GJBCSVNNSA-N 1 1 635.988 5.932 3 0 KKAFMO CC(C)[N@@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Cc1ccccc1 ZINC000066156565 562713805 /nfs/dbraw/zinc/71/38/05/562713805.db2.gz CJFQNIYVIFWKDV-UHFFFAOYSA-N 1 1 541.717 5.473 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066156854 562713843 /nfs/dbraw/zinc/71/38/43/562713843.db2.gz QILUDTBVFILERX-DSNGTPCMSA-N 1 1 624.562 5.285 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066156854 562713844 /nfs/dbraw/zinc/71/38/44/562713844.db2.gz QILUDTBVFILERX-DSNGTPCMSA-N 1 1 624.562 5.285 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066156846 562713851 /nfs/dbraw/zinc/71/38/51/562713851.db2.gz FQJVVVYBFXQNMH-BALWLHIASA-N 1 1 584.544 5.527 3 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000066157127 562713885 /nfs/dbraw/zinc/71/38/85/562713885.db2.gz RKFPRZNLXVJUNG-FQWYTPLZSA-N 1 1 627.807 5.815 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066166681 562714122 /nfs/dbraw/zinc/71/41/22/562714122.db2.gz JMGJNBNLVSLZKK-JQASONJCSA-N 1 1 631.770 5.646 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066166681 562714123 /nfs/dbraw/zinc/71/41/23/562714123.db2.gz JMGJNBNLVSLZKK-JQASONJCSA-N 1 1 631.770 5.646 3 0 KKAFMO Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000068198116 562715883 /nfs/dbraw/zinc/71/58/83/562715883.db2.gz ZIMGMSCOVHYQIN-UHFFFAOYSA-N 1 1 524.673 5.164 1 0 KKAFMO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@H+](C)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)c1cc2ccccc2s1 ZINC000068207013 562716025 /nfs/dbraw/zinc/71/60/25/562716025.db2.gz MZSDTUIZKGUVHK-UHFFFAOYSA-N 1 1 529.601 5.149 1 0 in-vitro KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000071280839 562716610 /nfs/dbraw/zinc/71/66/10/562716610.db2.gz CDTNCXQMEVRILN-BWMKXQIXSA-N 1 1 611.812 5.424 1 0 KKAFMO Cc1nc2cccnc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071295300 562717235 /nfs/dbraw/zinc/71/72/35/562717235.db2.gz DRHNCCCPDIGDNF-BWMKXQIXSA-N 1 1 533.720 6.172 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O[C@H]4CCC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000071297085 562717726 /nfs/dbraw/zinc/71/77/26/562717726.db2.gz DKVWTGMSGYYQCA-DEOSSOPVSA-N 1 1 518.610 5.261 1 0 KKAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@H](O)C4)cc2)CC3)cc1 ZINC000071317284 562718149 /nfs/dbraw/zinc/71/81/49/562718149.db2.gz BPIUYWHULQJMGZ-DEOSSOPVSA-N 1 1 562.592 5.336 1 0 KKAFMO CCC[N@H+](CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071319438 562718795 /nfs/dbraw/zinc/71/87/95/562718795.db2.gz PMHUNJLVEGNLQB-UHFFFAOYSA-N 1 1 522.564 7.379 1 0 KKAFMO CCC[N@@H+](CCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071319438 562718796 /nfs/dbraw/zinc/71/87/96/562718796.db2.gz PMHUNJLVEGNLQB-UHFFFAOYSA-N 1 1 522.564 7.379 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000071340814 562719834 /nfs/dbraw/zinc/71/98/34/562719834.db2.gz GBQLALWRLHAJHT-HTCWZNLXSA-N 1 1 537.063 6.731 1 0 KKAFMO O=C(NC1CC[NH+]([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103794 562720386 /nfs/dbraw/zinc/72/03/86/562720386.db2.gz ASFKQTYVMRFZIM-JOCHJYFZSA-N 1 1 508.466 5.498 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1F ZINC000072105261 562720741 /nfs/dbraw/zinc/72/07/41/562720741.db2.gz FTPAYMGAGAKRDY-UHFFFAOYSA-N 1 1 566.508 6.236 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC2CC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072108984 562721520 /nfs/dbraw/zinc/72/15/20/562721520.db2.gz KOFTZFGNGACTCM-GKRYNVPLSA-N 1 1 626.232 7.093 1 0 KKAFMO CO[C@H]1CCN(C(=O)C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)C1 ZINC000072111080 562721877 /nfs/dbraw/zinc/72/18/77/562721877.db2.gz LVSUWBVBTMLPPY-MIFNPMPNSA-N 1 1 670.285 7.062 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111406 562721902 /nfs/dbraw/zinc/72/19/02/562721902.db2.gz DWBJTGAJCVILKR-RSQQNEHOSA-N 1 1 574.772 6.943 1 0 KKAFMO C[C@@H]1CN(Cc2cccc(SC(F)(F)F)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111474 562721999 /nfs/dbraw/zinc/72/19/99/562721999.db2.gz WOROFGJEFQGPNP-MBGPZUCASA-N 1 1 606.839 7.536 1 0 KKAFMO CNC(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072112673 562722178 /nfs/dbraw/zinc/72/21/78/562722178.db2.gz LHZFPIBNQGHULX-WEWMWRJBSA-N 1 1 600.194 6.560 1 0 KKAFMO O=C1C(c2c[nH]c3ccccc23)=C(c2ccccc2)C(=O)N1CCNCCC[NH2+]CCN1C(=O)C(c2c[nH]c3ccccc23)=C(c2ccccc2)C1=O ZINC000072113399 562722339 /nfs/dbraw/zinc/72/23/39/562722339.db2.gz GUHSBXAEMGDRML-UHFFFAOYSA-N 1 1 702.815 5.478 1 0 KKAFMO COc1cc2c(cc1OCCF)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000072114021 562722596 /nfs/dbraw/zinc/72/25/96/562722596.db2.gz VEKXZDCJRICAKF-UHFFFAOYSA-N 1 1 678.761 6.714 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114810 562722839 /nfs/dbraw/zinc/72/28/39/562722839.db2.gz DKXHFFZMSYMRIM-ROJLCIKYSA-N 1 1 609.598 6.498 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114809 562722857 /nfs/dbraw/zinc/72/28/57/562722857.db2.gz DKXHFFZMSYMRIM-ACHIHNKUSA-N 1 1 609.598 6.498 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccc5ccccc5n4)n3)CC2)cc1 ZINC000072119855 562723914 /nfs/dbraw/zinc/72/39/14/562723914.db2.gz KIKPWQUGNBXSGU-UHFFFAOYSA-N 1 1 575.732 6.801 1 0 KKAFMO O=C(CNCCNc1c2ccccc2[nH+]c2c1CCCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072120044 562723964 /nfs/dbraw/zinc/72/39/64/562723964.db2.gz LOHRAGBTUWVJJT-UHFFFAOYSA-N 1 1 541.655 5.904 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[C@@H]([N@@H+](C)C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072120303 562723996 /nfs/dbraw/zinc/72/39/96/562723996.db2.gz SOYXIWFQNXVTEV-XRBGQJFPSA-N 1 1 680.284 7.054 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127671 562725756 /nfs/dbraw/zinc/72/57/56/562725756.db2.gz XLLCULDIIKOUKO-WISKXVKBSA-N 1 1 676.053 6.857 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128768 562726275 /nfs/dbraw/zinc/72/62/75/562726275.db2.gz YKJQWERUMMRZAT-XZTSFBBGSA-N 1 1 642.800 7.503 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128742 562726299 /nfs/dbraw/zinc/72/62/99/562726299.db2.gz XIGFKHPASRIFAO-BBACVFHCSA-N 1 1 664.042 6.626 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129822 562726418 /nfs/dbraw/zinc/72/64/18/562726418.db2.gz CWZOYVDAZZFHBO-ULJKERAFSA-N 1 1 664.247 6.217 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(CO)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129870 562726516 /nfs/dbraw/zinc/72/65/16/562726516.db2.gz MEXNPODCUIKOLP-BWMKXQIXSA-N 1 1 676.283 5.570 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000072129882 562726547 /nfs/dbraw/zinc/72/65/47/562726547.db2.gz DWQMSRAMNVQTQN-BWMKXQIXSA-N 1 1 722.302 7.149 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(OC(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129929 562726611 /nfs/dbraw/zinc/72/66/11/562726611.db2.gz DHRNPOMOQBZXFW-BETPUDKTSA-N 1 1 704.337 6.865 1 0 KKAFMO Oc1ccc(C[C@H]2CN([C@@H](Cc3cccc(O)c3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072134869 562727385 /nfs/dbraw/zinc/72/73/85/562727385.db2.gz PURXOUXJLIOVOV-HQPLKVBUSA-N 1 1 712.042 6.369 3 0 KKAFMO COc1ccc(-n2nnnc2[C@H](c2cccc3ccccc32)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000072136173 562727786 /nfs/dbraw/zinc/72/77/86/562727786.db2.gz ZRWXFXBOTNBDFK-XAYYSMDTSA-N 1 1 516.649 5.245 3 0 KKAFMO COc1ccc(-n2nnnc2[C@@H](c2cccc3ccccc32)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000072136172 562727797 /nfs/dbraw/zinc/72/77/97/562727797.db2.gz ZRWXFXBOTNBDFK-NIHMEUQGSA-N 1 1 516.649 5.245 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072140785 562729173 /nfs/dbraw/zinc/72/91/73/562729173.db2.gz NUIDQNYFRIEMCS-ORYMTKCHSA-N 1 1 585.972 6.030 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146506 562729708 /nfs/dbraw/zinc/72/97/08/562729708.db2.gz DPZGZNAHWBAHEG-OWGSQAEBSA-N 1 1 635.648 9.200 3 0 KKAFMO Nc1ccccc1NC(=O)CCCCCC(=O)Nc1cccc([C@H]2O[C@@H](c3ccc(CO)cc3)C[C@@H](C[NH+]3CCN(Cc4ccccc4)CC3)O2)c1 ZINC000072170650 562730358 /nfs/dbraw/zinc/73/03/58/562730358.db2.gz AAVPZQDZCOWSTD-IVTHGCCQSA-N 1 1 705.900 6.652 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172041 562730600 /nfs/dbraw/zinc/73/06/00/562730600.db2.gz NFNRBWZDIGKKNZ-DEOSSOPVSA-N 1 1 558.631 5.520 1 0 KKAFMO O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173421 562730949 /nfs/dbraw/zinc/73/09/49/562730949.db2.gz YZCZMMKGCRAJPO-OBBFJSJASA-N 1 1 630.593 5.076 1 0 KKAFMO COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000072181292 562732700 /nfs/dbraw/zinc/73/27/00/562732700.db2.gz NGUMRLVFPOPNSX-UHFFFAOYSA-N 1 1 576.654 5.461 1 0 KKAFMO COc1ccc(C[NH2+][C@@H](c2nc(Cc3ccccc3)c(N3CCCCC3)o2)C2CCCCC2)cc1OC ZINC000072184952 562732938 /nfs/dbraw/zinc/73/29/38/562732938.db2.gz FTDHQODYGRMCHK-GDLZYMKVSA-N 1 1 503.687 6.684 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@@H]3CCC[N@H+]3C)cn2)c1=O ZINC000072318154 562733269 /nfs/dbraw/zinc/73/32/69/562733269.db2.gz PPLDDAVPZCQAOG-NDEPHWFRSA-N 1 1 613.759 5.732 1 0 KKAFMO CCOC(=O)Nc1cccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)[NH+]2CCN(Cc3cscn3)CC2)c1 ZINC000073168074 562734660 /nfs/dbraw/zinc/73/46/60/562734660.db2.gz YXFFFQHZJOYHAQ-HHHXNRCGSA-N 1 1 535.714 5.101 1 0 KKAFMO CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H]1[C@@H](O)C=C2CC[N@H+]3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000073169016 562734757 /nfs/dbraw/zinc/73/47/57/562734757.db2.gz UKNDGCUGOMNXCX-YVAXRKBESA-N 1 1 597.796 7.777 1 0 KKAFMO C[N@@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 ZINC000073198354 562735702 /nfs/dbraw/zinc/73/57/02/562735702.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 1 1 514.505 5.384 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1 ZINC000073198354 562735703 /nfs/dbraw/zinc/73/57/03/562735703.db2.gz UGQYADUSXPVDCW-HSZRJFAPSA-N 1 1 514.505 5.384 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCC[N@@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198748 562735809 /nfs/dbraw/zinc/73/58/09/562735809.db2.gz BGWJXKZYWIIMQN-VXKWHMMOSA-N 1 1 544.614 6.139 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2ccccc2NC(=O)OC)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073198962 562735946 /nfs/dbraw/zinc/73/59/46/562735946.db2.gz LWMAAIUDRQICHW-UHFFFAOYSA-N 1 1 529.656 6.584 1 0 KKAFMO CC(C)(C)OC(=O)N1CCN(c2ccc(-c3[nH+]c4ccc(Cl)cn4c3NC3CCCCC3)cc2)CC1 ZINC000073297186 562737726 /nfs/dbraw/zinc/73/77/26/562737726.db2.gz HHYPLRPCCNZEPC-UHFFFAOYSA-N 1 1 510.082 6.456 1 0 KKAFMO O=C1C[C@@H](NCCC[NH2+][C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196877 562742804 /nfs/dbraw/zinc/74/28/04/562742804.db2.gz XJPIHZDMMXEDHA-KNVOCYPGSA-N 1 1 662.061 6.384 1 0 KKAFMO O=C1C[C@@H]([NH2+]CCCN[C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196877 562742805 /nfs/dbraw/zinc/74/28/05/562742805.db2.gz XJPIHZDMMXEDHA-KNVOCYPGSA-N 1 1 662.061 6.384 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084616227 562744567 /nfs/dbraw/zinc/74/45/67/562744567.db2.gz UGZLOXSYSUEOAM-LOSJGSFVSA-N 1 1 556.101 6.036 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000084632107 562745440 /nfs/dbraw/zinc/74/54/40/562745440.db2.gz CWGUTASCGOXMTO-IZZNHLLZSA-N 1 1 575.531 6.986 1 0 KKAFMO C[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084652612 562746627 /nfs/dbraw/zinc/74/66/27/562746627.db2.gz CCIXUQAEAWQXGP-XOAACPPSSA-N 1 1 673.837 5.858 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000084672297 562748742 /nfs/dbraw/zinc/74/87/42/562748742.db2.gz PNNURZBAOYBVQO-KPLVRAHFSA-N 1 1 629.543 5.354 1 0 KKAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@@H]2Cc2ccc(OC(F)(F)F)cc2)c1OC ZINC000084708101 562750155 /nfs/dbraw/zinc/75/01/55/562750155.db2.gz WTJKNEKEWGRQTK-UBWSOHEKSA-N 1 1 618.616 5.321 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724590 562751162 /nfs/dbraw/zinc/75/11/62/562751162.db2.gz XBDWPAQEXHGNLA-UETBHFRJSA-N 1 1 633.579 8.899 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724590 562751163 /nfs/dbraw/zinc/75/11/63/562751163.db2.gz XBDWPAQEXHGNLA-UETBHFRJSA-N 1 1 633.579 8.899 1 0 KKAFMO CN(CCNC(=O)CCCCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536873 562754218 /nfs/dbraw/zinc/75/42/18/562754218.db2.gz AVUJTHSKHNOMQK-UHFFFAOYSA-N 1 1 833.821 6.862 1 0 KKAFMO CN(CCNC(=O)CCCCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536873 562754219 /nfs/dbraw/zinc/75/42/19/562754219.db2.gz AVUJTHSKHNOMQK-UHFFFAOYSA-N 1 1 833.821 6.862 1 0 KKAFMO Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000095539851 562755327 /nfs/dbraw/zinc/75/53/27/562755327.db2.gz GVOWZJBFPFGPFG-MDWZMJQESA-N 1 1 739.660 6.705 1 0 KKAFMO Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NCc5ccccn5)cc4)c3Cl)c2[nH+]1 ZINC000095539987 562755428 /nfs/dbraw/zinc/75/54/28/562755428.db2.gz AXRYWEAVAZCNIT-XMHGGMMESA-N 1 1 751.715 7.537 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(Br)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000095540660 562755879 /nfs/dbraw/zinc/75/58/79/562755879.db2.gz HCYLBYFACDSHSV-NREVGYPESA-N 1 1 814.822 5.404 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(OCCCCCCCOc3ccc(C(=O)Nc4ccc(OC)c(N5CC[NH+](C)CC5)c4)cc3)cc2)cc1N1CCN(C)CC1 ZINC000095544095 562757632 /nfs/dbraw/zinc/75/76/32/562757632.db2.gz OAMCIVAOVQHSQF-UHFFFAOYSA-N 1 1 778.995 7.120 1 0 KKAFMO CCOc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000095561959 562763552 /nfs/dbraw/zinc/76/35/52/562763552.db2.gz BJLACMXLNVBWES-NJDYKEBGSA-N 1 1 522.733 6.659 1 0 KKAFMO CCCCc1sc(-c2ccc(OC[C@@H]3CCC[N@@H+](CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563334 562763945 /nfs/dbraw/zinc/76/39/45/562763945.db2.gz WROFIVGZFHZPEZ-XMMPIXPASA-N 1 1 561.191 9.376 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095564526 562764351 /nfs/dbraw/zinc/76/43/51/562764351.db2.gz VLABVJXETLVVIO-QLVXXPONSA-N 1 1 554.707 5.131 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566142 562764810 /nfs/dbraw/zinc/76/48/10/562764810.db2.gz GDLSESYYEZMWDL-NCLPYWGKSA-N 1 1 697.799 6.167 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095566604 562765051 /nfs/dbraw/zinc/76/50/51/562765051.db2.gz DEMCBGNJFOTASI-PCFSMJPMSA-N 1 1 638.589 5.214 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566513 562765079 /nfs/dbraw/zinc/76/50/79/562765079.db2.gz VFODUGZKJXJXBF-AXHSOIPPSA-N 1 1 658.843 6.308 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095566659 562765175 /nfs/dbraw/zinc/76/51/75/562765175.db2.gz GFVNWDBMZVYSCS-QAJXPZEFSA-N 1 1 694.833 5.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095567059 562765478 /nfs/dbraw/zinc/76/54/78/562765478.db2.gz LYCSFODXVIYFGQ-FBPNTFGJSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567191 562765579 /nfs/dbraw/zinc/76/55/79/562765579.db2.gz IFLLFBGKWUQYRJ-MTSKFENVSA-N 1 1 721.899 6.941 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567328 562765670 /nfs/dbraw/zinc/76/56/70/562765670.db2.gz UHYLZCFMZDIRGN-URCRQUEMSA-N 1 1 652.636 6.720 1 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095567544 562765905 /nfs/dbraw/zinc/76/59/05/562765905.db2.gz YHYAWRQKEINXTD-SPWOZAQASA-N 1 1 696.043 6.663 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567934 562766191 /nfs/dbraw/zinc/76/61/91/562766191.db2.gz YBNZKBDLNSUZNE-ZLEIESQFSA-N 1 1 624.738 5.494 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568018 562766244 /nfs/dbraw/zinc/76/62/44/562766244.db2.gz DTGXRBNGNVLSQA-DTMRYJDCSA-N 1 1 672.911 7.791 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095568278 562766451 /nfs/dbraw/zinc/76/64/51/562766451.db2.gz LMVYLEREBXGKHC-VWGARZEKSA-N 1 1 652.792 6.413 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095568363 562766596 /nfs/dbraw/zinc/76/65/96/562766596.db2.gz AMEWTOKWBIKYEC-USUMGCFOSA-N 1 1 664.807 5.446 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568601 562766778 /nfs/dbraw/zinc/76/67/78/562766778.db2.gz VYCOOHAMPRTWAW-QXULMBECSA-N 1 1 719.927 6.745 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095568644 562766811 /nfs/dbraw/zinc/76/68/11/562766811.db2.gz FGZYRMRERWZGKV-CJYOKPGZSA-N 1 1 614.665 5.710 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095568856 562766927 /nfs/dbraw/zinc/76/69/27/562766927.db2.gz CMLTYIJXOZVOLL-NVOANOBXSA-N 1 1 612.815 6.089 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568833 562766955 /nfs/dbraw/zinc/76/69/55/562766955.db2.gz DOYVPIVJJALYPS-SYZUXVNWSA-N 1 1 604.714 6.011 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568895 562766991 /nfs/dbraw/zinc/76/69/91/562766991.db2.gz GHZMXVOCHVGOQG-IWITZMJESA-N 1 1 635.850 5.529 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568923 562767017 /nfs/dbraw/zinc/76/70/17/562767017.db2.gz YBNZKBDLNSUZNE-UBWLVADZSA-N 1 1 624.738 5.494 1 0 KKAFMO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000095569129 562767193 /nfs/dbraw/zinc/76/71/93/562767193.db2.gz NOKGHPUTVAEQCP-ZQWQDMLBSA-N 1 1 696.043 6.663 3 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095569256 562767311 /nfs/dbraw/zinc/76/73/11/562767311.db2.gz XGMQKVJTWVADHD-HJBDBDOVSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095569531 562767486 /nfs/dbraw/zinc/76/74/86/562767486.db2.gz APLMONIUGAOYQF-DIBPYXDISA-N 1 1 629.541 5.718 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569758 562767691 /nfs/dbraw/zinc/76/76/91/562767691.db2.gz GFRGPEHDGBPCHF-BSUMSBOOSA-N 1 1 748.075 6.724 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570128 562767976 /nfs/dbraw/zinc/76/79/76/562767976.db2.gz RAWKXIVYXKZPFJ-HNMNOHOESA-N 1 1 616.656 5.770 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095570208 562768008 /nfs/dbraw/zinc/76/80/08/562768008.db2.gz SGMOQBHEVPGXKI-SNCSJZQCSA-N 1 1 610.730 6.489 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570250 562768044 /nfs/dbraw/zinc/76/80/44/562768044.db2.gz XJOPVLQFFGEWNL-ZRLASMASSA-N 1 1 597.678 5.168 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570321 562768135 /nfs/dbraw/zinc/76/81/35/562768135.db2.gz RBDGKEGTWTXSMS-CZBREUMFSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570386 562768148 /nfs/dbraw/zinc/76/81/48/562768148.db2.gz DTGXRBNGNVLSQA-JLDYTBLRSA-N 1 1 672.911 7.791 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570398 562768187 /nfs/dbraw/zinc/76/81/87/562768187.db2.gz PMSXCOZUFRLTET-SGQICDRISA-N 1 1 660.737 7.369 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768539 /nfs/dbraw/zinc/76/85/39/562768539.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N 1 1 655.044 5.729 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570946 562768647 /nfs/dbraw/zinc/76/86/47/562768647.db2.gz TXGYYWCQXDVHML-YBBGPBPVSA-N 1 1 634.699 6.855 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570970 562768650 /nfs/dbraw/zinc/76/86/50/562768650.db2.gz ISYWMCSQLOVTPH-XIZGUHLZSA-N 1 1 643.829 5.078 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571013 562768666 /nfs/dbraw/zinc/76/86/66/562768666.db2.gz WNMJLARWBKXIKH-FQWYTPLZSA-N 1 1 660.840 7.082 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095571190 562768822 /nfs/dbraw/zinc/76/88/22/562768822.db2.gz OCOAZZWZFVYNQI-VBEKBXFHSA-N 1 1 670.678 7.173 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571360 562769027 /nfs/dbraw/zinc/76/90/27/562769027.db2.gz NPEDMRUCBXVYJC-DVIHYUSWSA-N 1 1 660.737 7.369 1 0 KKAFMO CN(CCCCC[N@@H+](C)Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095576063 562770528 /nfs/dbraw/zinc/77/05/28/562770528.db2.gz IOZXVPRYPZPTHB-UHFFFAOYSA-N 1 1 517.677 6.138 1 0 KKAFMO O=C(CCc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000095577039 562770827 /nfs/dbraw/zinc/77/08/27/562770827.db2.gz WTQCCWURXMRMMY-GBYFWFCKSA-N 1 1 619.161 6.990 1 0 KKAFMO CCN(CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095577343 562770908 /nfs/dbraw/zinc/77/09/08/562770908.db2.gz SURKRFGZUPRRDN-UHFFFAOYSA-N 1 1 543.737 6.398 1 0 KKAFMO CCN(CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1 ZINC000095578444 562771251 /nfs/dbraw/zinc/77/12/51/562771251.db2.gz RKXNOCVEXXJMLH-UHFFFAOYSA-N 1 1 571.791 7.179 1 0 KKAFMO C[C@H](OCc1ccccc1)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095582607 562772619 /nfs/dbraw/zinc/77/26/19/562772619.db2.gz TUCXULKCFZVWCR-DJKFDGOISA-N 1 1 543.752 5.027 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(F)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095587723 562774399 /nfs/dbraw/zinc/77/43/99/562774399.db2.gz VSVDMORZXLFJNT-UHFFFAOYSA-N 1 1 585.602 7.113 1 0 KKAFMO Cc1ccc2[nH+]c(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC(C)C)n2c1 ZINC000095589944 562775141 /nfs/dbraw/zinc/77/51/41/562775141.db2.gz GFELBPBQLAXXRY-UHFFFAOYSA-N 1 1 532.088 7.106 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095598797 562777538 /nfs/dbraw/zinc/77/75/38/562777538.db2.gz BYUWMZXSAAGXAD-SEXOINJZSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095598797 562777539 /nfs/dbraw/zinc/77/75/39/562777539.db2.gz BYUWMZXSAAGXAD-SEXOINJZSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599182 562777814 /nfs/dbraw/zinc/77/78/14/562777814.db2.gz JUEHVKXRGUAEIX-HOPFVHLTSA-N 1 1 753.690 8.584 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095599259 562777948 /nfs/dbraw/zinc/77/79/48/562777948.db2.gz ZIZWTQGIFKHADQ-UMQWNRPGSA-N 1 1 620.599 5.455 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095599259 562777949 /nfs/dbraw/zinc/77/79/49/562777949.db2.gz ZIZWTQGIFKHADQ-UMQWNRPGSA-N 1 1 620.599 5.455 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599574 562778193 /nfs/dbraw/zinc/77/81/93/562778193.db2.gz LZRMYYQDLQFCEK-UBGOJMQMSA-N 1 1 728.809 7.006 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095599727 562778262 /nfs/dbraw/zinc/77/82/62/562778262.db2.gz DKFJGYQTLBOWCX-ULPIOCOXSA-N 1 1 558.723 5.493 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599974 562778482 /nfs/dbraw/zinc/77/84/82/562778482.db2.gz GQVRJEGSXSCMGQ-RDXDNIQESA-N 1 1 650.780 5.517 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600079 562778598 /nfs/dbraw/zinc/77/85/98/562778598.db2.gz AOVZEKKCHSEONH-GHVZQYPWSA-N 1 1 655.833 5.554 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600196 562778703 /nfs/dbraw/zinc/77/87/03/562778703.db2.gz ZKPAWGOFKUDAFA-WTRZPYMOSA-N 1 1 685.788 6.672 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600333 562778835 /nfs/dbraw/zinc/77/88/35/562778835.db2.gz JUEHVKXRGUAEIX-ZCKQCUHLSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095600541 562778995 /nfs/dbraw/zinc/77/89/95/562778995.db2.gz CMLTYIJXOZVOLL-FHLNUDKKSA-N 1 1 612.815 6.089 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095600637 562779082 /nfs/dbraw/zinc/77/90/82/562779082.db2.gz ISGWUMSRLISZDA-RLJUXYCZSA-N 1 1 720.760 7.030 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600994 562779380 /nfs/dbraw/zinc/77/93/80/562779380.db2.gz QSPQZTLSTLHHFB-YPMZNXIVSA-N 1 1 592.740 6.350 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095600969 562779405 /nfs/dbraw/zinc/77/94/05/562779405.db2.gz PIPSXTOHKBCCEO-SUCLBKFRSA-N 1 1 702.790 7.416 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601344 562779587 /nfs/dbraw/zinc/77/95/87/562779587.db2.gz MQYRYLVPTZBBHK-NUNJUMJCSA-N 1 1 714.826 7.286 1 0 KKAFMO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095601605 562779668 /nfs/dbraw/zinc/77/96/68/562779668.db2.gz HBIOTSSIAUJKOB-OVWOLCBMSA-N 1 1 588.749 5.290 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095601678 562779745 /nfs/dbraw/zinc/77/97/45/562779745.db2.gz UPYOMULBLKVBBL-VTRVSUCGSA-N 1 1 622.851 6.638 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095603407 562780512 /nfs/dbraw/zinc/78/05/12/562780512.db2.gz KTOLAWMRFLMANX-PNCWTNKOSA-N 1 1 683.812 6.814 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095603692 562780613 /nfs/dbraw/zinc/78/06/13/562780613.db2.gz PIPSXTOHKBCCEO-IUVSGJEMSA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604620 562781084 /nfs/dbraw/zinc/78/10/84/562781084.db2.gz LXRLVBFXBBYPLC-PHVLTXCSSA-N 1 1 540.680 5.202 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095604615 562781122 /nfs/dbraw/zinc/78/11/22/562781122.db2.gz KVYNYDNSHYPGTF-CYCDCDHJSA-N 1 1 669.785 6.885 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604897 562781286 /nfs/dbraw/zinc/78/12/86/562781286.db2.gz MURCZWOVERITEN-XIWHWFKQSA-N 1 1 629.779 5.632 1 0 KKAFMO CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCOC(=O)C[NH3+])CC1 ZINC000095605510 562781605 /nfs/dbraw/zinc/78/16/05/562781605.db2.gz SFBNMCNCNUYODX-IOWSJCHKSA-N 1 1 743.497 5.403 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095605653 562781621 /nfs/dbraw/zinc/78/16/21/562781621.db2.gz LMVYLEREBXGKHC-IGHHUVOLSA-N 1 1 652.792 6.413 1 0 KKAFMO O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1 ZINC000095610106 562784169 /nfs/dbraw/zinc/78/41/69/562784169.db2.gz KAIRDRAOLOPZSO-YDAXCOIMSA-N 1 1 827.764 7.370 1 0 KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786235 /nfs/dbraw/zinc/78/62/35/562786235.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 1 1 755.381 7.680 1 0 in-vivo KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5cccc(OS(=O)(=O)c6ccc(Cl)cc6)c5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000095613285 562786236 /nfs/dbraw/zinc/78/62/36/562786236.db2.gz MSUMHGMGRZWLMN-RATRSTDQSA-N 1 1 755.381 7.680 1 0 in-vivo KKAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)Nc2nc3ccccc3s2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095613667 562786438 /nfs/dbraw/zinc/78/64/38/562786438.db2.gz CKXVCBLNZYVBOW-NRLRFCMXSA-N 1 1 809.002 5.582 1 0 KKAFMO C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OC1C[NH+](C(c2ccccc2)c2ccccc2)C1)C1CCCCC1 ZINC000095616676 562787868 /nfs/dbraw/zinc/78/78/68/562787868.db2.gz GNLVJYPWKGCLCE-NDEPHWFRSA-N 1 1 595.787 8.453 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000095670082 562788267 /nfs/dbraw/zinc/78/82/67/562788267.db2.gz AJUAJKZVPJDBSA-DHLKQENFSA-N 1 1 538.404 6.350 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680094 562788380 /nfs/dbraw/zinc/78/83/80/562788380.db2.gz AYFIOZIDKGBGDF-IEOSBIPESA-N 1 1 602.757 5.563 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)O3)cc1 ZINC000095755190 562788887 /nfs/dbraw/zinc/78/88/87/562788887.db2.gz QTHBIZIZCLMCFV-HFZPWKHCSA-N 1 1 566.743 5.000 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095818817 562789212 /nfs/dbraw/zinc/78/92/12/562789212.db2.gz VLABVJXETLVVIO-IEOSBIPESA-N 1 1 554.707 5.131 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095819197 562789235 /nfs/dbraw/zinc/78/92/35/562789235.db2.gz ORNNHAIJDBYIOA-HNMNOHOESA-N 1 1 590.592 5.793 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789283 /nfs/dbraw/zinc/78/92/83/562789283.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N 1 1 655.044 5.729 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095846147 562789414 /nfs/dbraw/zinc/78/94/14/562789414.db2.gz ACSVFUACEODJDN-OVWOLCBMSA-N 1 1 594.712 5.478 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867161 562789836 /nfs/dbraw/zinc/78/98/36/562789836.db2.gz WCXPCWVVNYKWAF-VWGARZEKSA-N 1 1 659.831 6.170 1 0 KKAFMO CC(=O)N1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167369 562790482 /nfs/dbraw/zinc/79/04/82/562790482.db2.gz YGWRUECJIONJNP-JYFHCDHNSA-N 1 1 536.931 5.835 1 0 KKAFMO CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169811 562790830 /nfs/dbraw/zinc/79/08/30/562790830.db2.gz DSXZRXGQDUOYMH-UHFFFAOYSA-N 1 1 533.076 5.071 1 0 KKAFMO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174203 562791784 /nfs/dbraw/zinc/79/17/84/562791784.db2.gz LUYNUXMXRMDOMC-PSXMRANNSA-N 1 1 696.734 5.694 1 0 KKAFMO CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)[nH+]cn2c1 ZINC000096284234 562795091 /nfs/dbraw/zinc/79/50/91/562795091.db2.gz MLFLJTCNQJZMTR-QFIPXVFZSA-N 1 1 506.006 6.442 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccccc3)n2)cc1F ZINC000096285103 562795424 /nfs/dbraw/zinc/79/54/24/562795424.db2.gz RBUJKCIMCCHILL-UHFFFAOYSA-N 1 1 609.658 5.985 1 0 KKAFMO 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)N(C)CC4 ZINC000096903102 562797820 /nfs/dbraw/zinc/79/78/20/562797820.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 1 1 791.739 9.136 1 0 KKAFMO 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)N(C)CC4 ZINC000096903102 562797821 /nfs/dbraw/zinc/79/78/21/562797821.db2.gz MTTANYDQFAAJNM-OIDHKYIRSA-N 1 1 791.739 9.136 1 0 KKAFMO CC[N@H+]1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6OCc5ccccc5)[C@@H](C[C@@H]32)[C@@H]14 ZINC000096904421 562798346 /nfs/dbraw/zinc/79/83/46/562798346.db2.gz MMQFJHNBGAFZRG-CPTCJIOVSA-N 1 1 527.749 6.075 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[NH+](C)CC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096907117 562799049 /nfs/dbraw/zinc/79/90/49/562799049.db2.gz FEUNWPRODMKOJV-MAMXRPNDSA-N 1 1 640.681 6.389 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908957 562799482 /nfs/dbraw/zinc/79/94/82/562799482.db2.gz ZTMPHQXTHAWMHG-OAQYLSRUSA-N 1 1 631.202 7.849 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908962 562799535 /nfs/dbraw/zinc/79/95/35/562799535.db2.gz FBYJLOZARAGRBM-UHFFFAOYSA-N 1 1 619.147 6.307 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(C)c2)c1 ZINC000096909586 562799595 /nfs/dbraw/zinc/79/95/95/562799595.db2.gz FLHAKNPXXYWQAC-QABMSTFYSA-N 1 1 501.671 5.766 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(O)c2)c1 ZINC000096909588 562799633 /nfs/dbraw/zinc/79/96/33/562799633.db2.gz STZFLPFWXMKCLF-RBISFHTESA-N 1 1 503.643 5.164 1 0 KKAFMO S=C(NCCCNC(=S)NCCCNc1cc[nH+]c2cc(Cl)ccc12)NCCCNc1ccnc2cc(Cl)ccc21 ZINC000096932634 562803441 /nfs/dbraw/zinc/80/34/41/562803441.db2.gz RJOCCTZSSYFOAB-UHFFFAOYSA-N 1 1 629.687 5.712 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3F)ccn2)cc1F ZINC000096932632 562803462 /nfs/dbraw/zinc/80/34/62/562803462.db2.gz WUFAJLAYRRBRCG-UHFFFAOYSA-N 1 1 639.703 6.645 1 0 KKAFMO COc1cc2c(cc1OC)[C@H]([NH+]1CCC(n3c4ccc(Cl)cc4n(Cc4ccc(Cl)cc4)c3=O)CC1)CC2 ZINC000096933821 562803676 /nfs/dbraw/zinc/80/36/76/562803676.db2.gz OJOXBEYKXCKEHX-RUZDIDTESA-N 1 1 552.502 6.500 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937288 562804180 /nfs/dbraw/zinc/80/41/80/562804180.db2.gz FHRFXRXFROWCGZ-UHFFFAOYSA-N 1 1 558.057 6.752 1 0 KKAFMO CN1CC[NH+](Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1 ZINC000096937288 562804181 /nfs/dbraw/zinc/80/41/81/562804181.db2.gz FHRFXRXFROWCGZ-UHFFFAOYSA-N 1 1 558.057 6.752 1 0 KKAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccccc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939394 562804773 /nfs/dbraw/zinc/80/47/73/562804773.db2.gz QWWUHAGONCTPJG-QHCPKHFHSA-N 1 1 507.965 5.502 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(S(C)(=O)=O)C2 ZINC000100076196 562806639 /nfs/dbraw/zinc/80/66/39/562806639.db2.gz YZMLHIHWKPEZOT-PKQPGRETSA-N 1 1 590.794 5.114 1 0 KKAFMO CC(C)[NH+]1CCN([C@H]2CC[C@@](NC(=O)[C@@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccccc3)CC2)CC1 ZINC000100916027 562808524 /nfs/dbraw/zinc/80/85/24/562808524.db2.gz QUXYPYOPGAKDPS-PTJQVGQKSA-N 1 1 569.634 6.808 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193593 562809898 /nfs/dbraw/zinc/80/98/98/562809898.db2.gz YOJOIMABKIOJRY-RCFASBGUSA-N 1 1 590.812 7.379 1 0 KKAFMO COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193601 562809914 /nfs/dbraw/zinc/80/99/14/562809914.db2.gz RRFIHKNSVPKCRY-IJGRWTRYSA-N 1 1 594.775 6.990 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101322991 562810330 /nfs/dbraw/zinc/81/03/30/562810330.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101322991 562810331 /nfs/dbraw/zinc/81/03/31/562810331.db2.gz RCEGLXVYHHYXSF-ZSMXDUBVSA-N 1 1 510.744 6.321 1 0 KKAFMO COc1cc(/C=C/OC(=O)[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101509634 562811140 /nfs/dbraw/zinc/81/11/40/562811140.db2.gz WHEQWKJMWXXWPK-FKGPZVOBSA-N 1 1 641.758 5.907 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645111 562811499 /nfs/dbraw/zinc/81/14/99/562811499.db2.gz KRTZTABXRLIXPM-VQTJNVASSA-N 1 1 547.479 5.621 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645082 562811504 /nfs/dbraw/zinc/81/15/04/562811504.db2.gz XWWBOYDUGHVMQG-RPWUZVMVSA-N 1 1 526.633 5.201 1 0 KKAFMO COCC[NH+]1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696300 562811828 /nfs/dbraw/zinc/81/18/28/562811828.db2.gz MLIPALGNAIXVNA-UHFFFAOYSA-N 1 1 626.779 5.257 1 0 KKAFMO COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@@H+](C)CC2)CCN1C ZINC000102142246 562812740 /nfs/dbraw/zinc/81/27/40/562812740.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N 1 1 606.719 6.743 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103101248 562814293 /nfs/dbraw/zinc/81/42/93/562814293.db2.gz GYWUGKYGQVCSEZ-HTNMWRMPSA-N 1 1 641.758 5.706 1 0 KKAFMO COc1cc(C(=O)N(C(C)C)[C@@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225475 562817734 /nfs/dbraw/zinc/81/77/34/562817734.db2.gz WZPLUDMRNMXVNI-XMMPIXPASA-N 1 1 514.592 5.723 1 0 KKAFMO COc1cc(C(=O)N(C(C)C)[C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225475 562817735 /nfs/dbraw/zinc/81/77/35/562817735.db2.gz WZPLUDMRNMXVNI-XMMPIXPASA-N 1 1 514.592 5.723 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225794 562817769 /nfs/dbraw/zinc/81/77/69/562817769.db2.gz GHBCBQSQGDNBNN-REKFDVGBSA-N 1 1 542.749 5.839 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227167 562817880 /nfs/dbraw/zinc/81/78/80/562817880.db2.gz CVHWQXDNAXTQFI-REKFDVGBSA-N 1 1 548.722 6.802 1 0 KKAFMO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228643 562818029 /nfs/dbraw/zinc/81/80/29/562818029.db2.gz MVZKDPRRGGGQTG-UHFFFAOYSA-N 1 1 577.678 5.636 1 0 KKAFMO NC(=O)[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103228781 562818080 /nfs/dbraw/zinc/81/80/80/562818080.db2.gz MNIJWJCCHXLKST-XKSFVOKXSA-N 1 1 513.896 7.077 1 0 KKAFMO C[NH+](C)CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229642 562818104 /nfs/dbraw/zinc/81/81/04/562818104.db2.gz MXYVLFFOOLDPNY-UHFFFAOYSA-N 1 1 562.001 5.568 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000103236303 562818866 /nfs/dbraw/zinc/81/88/66/562818866.db2.gz ZFAZYYDGENBFCE-NHUAQYJJSA-N 1 1 540.067 5.795 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240438 562819447 /nfs/dbraw/zinc/81/94/47/562819447.db2.gz BVLCELFVCZYGBZ-UMSFTDKQSA-N 1 1 587.772 5.183 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240392 562819459 /nfs/dbraw/zinc/81/94/59/562819459.db2.gz ZSZLFTIBFWOBBQ-UMSFTDKQSA-N 1 1 587.772 5.183 1 0 KKAFMO Brc1ccc2c(cc(-c3cc4ccc(Br)cc4[nH]3)n2CC[NH+]2CCOCC2)c1 ZINC000103259872 562821173 /nfs/dbraw/zinc/82/11/73/562821173.db2.gz LCQPZAHBIUSVHY-UHFFFAOYSA-N 1 1 503.238 5.647 1 0 KKAFMO Cc1ccc(CNCC[NH+]2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264916 562822025 /nfs/dbraw/zinc/82/20/25/562822025.db2.gz LBQCDLROZAZEQI-UHFFFAOYSA-N 1 1 618.704 7.230 1 0 KKAFMO CCC[N@@H+](C)Cc1ccc(C)c(NC(=O)c2ccc(Nc3ncc(C)c(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000103264957 562822052 /nfs/dbraw/zinc/82/20/52/562822052.db2.gz JBOXLNYDWBMKKR-UHFFFAOYSA-N 1 1 563.624 7.497 1 0 KKAFMO OC[C@@H](O)C[N@H+]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CCC[C@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000103297279 562824583 /nfs/dbraw/zinc/82/45/83/562824583.db2.gz OXQNPKNPAXQQDM-PDHQKIGBSA-N 1 1 519.729 7.162 1 0 KKAFMO Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@H]1CCCC[N@@H+]1C2 ZINC000113184623 562826298 /nfs/dbraw/zinc/82/62/98/562826298.db2.gz XWPGBIBRTXZJOU-LJQANCHMSA-N 1 1 508.544 5.233 1 0 KKAFMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114098355 562827563 /nfs/dbraw/zinc/82/75/63/562827563.db2.gz GZHUKRDKTDCKQD-OAQYLSRUSA-N 1 1 505.030 5.156 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114097526 562827579 /nfs/dbraw/zinc/82/75/79/562827579.db2.gz ADECCDQSRZHJQI-XMMPIXPASA-N 1 1 510.078 5.500 1 0 KKAFMO COc1c(C)cccc1C[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099840 562827618 /nfs/dbraw/zinc/82/76/18/562827618.db2.gz VVFHLEGKGYADNF-HSZRJFAPSA-N 1 1 501.067 5.325 1 0 KKAFMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099584 562827629 /nfs/dbraw/zinc/82/76/29/562827629.db2.gz COPODLXHIVJYHK-HSZRJFAPSA-N 1 1 501.067 5.407 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114100167 562827670 /nfs/dbraw/zinc/82/76/70/562827670.db2.gz NYZQNXXCSARADX-JOCHJYFZSA-N 1 1 532.031 5.735 1 0 KKAFMO COc1ccccc1C[N@H+]1CCS[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100676 562827672 /nfs/dbraw/zinc/82/76/72/562827672.db2.gz KWZCIYQABOCHKE-VWLOTQADSA-N 1 1 519.107 5.112 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC000114100714 562827712 /nfs/dbraw/zinc/82/77/12/562827712.db2.gz DRYUOJICQGNUEQ-RUZDIDTESA-N 1 1 510.122 5.920 1 0 KKAFMO COc1ccccc1C[N@H+]1CCS[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100678 562827722 /nfs/dbraw/zinc/82/77/22/562827722.db2.gz KWZCIYQABOCHKE-RUZDIDTESA-N 1 1 519.107 5.112 1 0 KKAFMO COc1ccc(Cn2c3ccccc3[nH+]c2Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)cc1 ZINC000115807163 562829030 /nfs/dbraw/zinc/82/90/30/562829030.db2.gz YMPZPUPWQCENQB-UHFFFAOYSA-N 1 1 506.606 6.918 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCn4c(cc5c4CC(C)(C)C5)C3=O)c2CO)cc(Nc2ccc([C@H]3CCC[N@H+]3C)cn2)c1=O ZINC000116053480 562829137 /nfs/dbraw/zinc/82/91/37/562829137.db2.gz QPCRZCGEDLLNBJ-MUUNZHRXSA-N 1 1 610.734 5.176 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc([C@H]3CCC[N@H+]3C)cn2)c1=O ZINC000116055355 562829228 /nfs/dbraw/zinc/82/92/28/562829228.db2.gz IDITYFDOXWBOKM-MUUNZHRXSA-N 1 1 627.786 5.978 1 0 KKAFMO Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[NH+](C)CC5)c[nH]4)c3)cc2)c1 ZINC000116236253 562829319 /nfs/dbraw/zinc/82/93/19/562829319.db2.gz WNNFMIBKNBUXAL-UHFFFAOYSA-N 1 1 528.588 5.348 1 0 KKAFMO CCCC[N@@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920133 562830934 /nfs/dbraw/zinc/83/09/34/562830934.db2.gz FJLYALXMWQKCRF-LPIJWTSISA-N 1 1 523.846 7.504 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O ZINC000118921608 562831019 /nfs/dbraw/zinc/83/10/19/562831019.db2.gz HDSBPWALSVPVOL-CYQIHANRSA-N 1 1 539.760 7.007 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O ZINC000118921608 562831020 /nfs/dbraw/zinc/83/10/20/562831020.db2.gz HDSBPWALSVPVOL-CYQIHANRSA-N 1 1 539.760 7.007 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000140458301 562833049 /nfs/dbraw/zinc/83/30/49/562833049.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000140458301 562833050 /nfs/dbraw/zinc/83/30/50/562833050.db2.gz RCEGLXVYHHYXSF-MOCNXKGKSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccccc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685431 562833302 /nfs/dbraw/zinc/83/33/02/562833302.db2.gz FFMCJPBNLPAPGA-DHLKQENFSA-N 1 1 554.657 5.428 1 0 KKAFMO CC(C)C[C@H]1C(=O)O[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)C[N@H+]1Cc1ccccc1 ZINC000141595305 562833655 /nfs/dbraw/zinc/83/36/55/562833655.db2.gz ZXNGALYTDXDNJO-BUHQOFETSA-N 1 1 505.743 6.811 1 0 KKAFMO CC(C)C[C@H]1C(=O)O[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)C[N@@H+]1Cc1ccccc1 ZINC000141595305 562833656 /nfs/dbraw/zinc/83/36/56/562833656.db2.gz ZXNGALYTDXDNJO-BUHQOFETSA-N 1 1 505.743 6.811 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000142715919 562834316 /nfs/dbraw/zinc/83/43/16/562834316.db2.gz RLDHKTIILVTVIL-GBXCKJPGSA-N 1 1 505.610 5.642 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc([C@@H]3CC[N@H+](C)C3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354731 562836149 /nfs/dbraw/zinc/83/61/49/562836149.db2.gz LGQOJDDTQJSHAG-AREMUKBSSA-N 1 1 504.634 6.230 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@H+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000146029868 562837971 /nfs/dbraw/zinc/83/79/71/562837971.db2.gz LSNDYOBOEPMJKM-UHFFFAOYSA-N 1 1 560.633 6.773 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@@H+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000146029868 562837972 /nfs/dbraw/zinc/83/79/72/562837972.db2.gz LSNDYOBOEPMJKM-UHFFFAOYSA-N 1 1 560.633 6.773 1 0 KKAFMO CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(C[N@H+]3CCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000146039937 562838011 /nfs/dbraw/zinc/83/80/11/562838011.db2.gz ZFGRMWBYHAUOCE-YTTGMZPUSA-N 1 1 557.760 7.018 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([NH+]6CCOCC6)CC5)nc43)c2)cc1C(F)(F)F ZINC000148349961 562841162 /nfs/dbraw/zinc/84/11/62/562841162.db2.gz NXSBMOZPUFGRCD-UHFFFAOYSA-N 1 1 622.652 5.053 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000148872894 562841889 /nfs/dbraw/zinc/84/18/89/562841889.db2.gz MNZUQWHEVHRCQC-AREMUKBSSA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000148872894 562841890 /nfs/dbraw/zinc/84/18/90/562841890.db2.gz MNZUQWHEVHRCQC-AREMUKBSSA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000148891273 562841934 /nfs/dbraw/zinc/84/19/34/562841934.db2.gz TUPQMRFXFANGOP-SANMLTNESA-N 1 1 522.133 6.444 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000148907227 562841938 /nfs/dbraw/zinc/84/19/38/562841938.db2.gz QCHMPSACYGRTML-SANMLTNESA-N 1 1 510.122 5.920 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000150522856 562843545 /nfs/dbraw/zinc/84/35/45/562843545.db2.gz MHZQGPLDTLQICR-UHFFFAOYSA-N 1 1 631.055 6.799 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150537729 562844042 /nfs/dbraw/zinc/84/40/42/562844042.db2.gz DOKUIZCZUOJNKQ-SMUPIAPWSA-N 1 1 660.284 6.514 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150555622 562844717 /nfs/dbraw/zinc/84/47/17/562844717.db2.gz DOKUIZCZUOJNKQ-CYFDYVNOSA-N 1 1 660.284 6.514 1 0 KKAFMO CC[C@]12C=CCN3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CC[N@H+]7CC[C@]54[C@@H]76)C1)[C@@H]32 ZINC000150593869 562846423 /nfs/dbraw/zinc/84/64/23/562846423.db2.gz SAENWZIKYMKLQU-JQEKDWGSSA-N 1 1 672.826 5.332 1 0 KKAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000164719969 562849690 /nfs/dbraw/zinc/84/96/90/562849690.db2.gz VVYZASSDHSWENI-UHFFFAOYSA-N 1 1 643.670 5.390 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCC([N@@H+]6C[C@@H](C)O[C@@H](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000165281728 562850058 /nfs/dbraw/zinc/85/00/58/562850058.db2.gz DRFCRUIAPYTWHE-OYRHEFFESA-N 1 1 650.706 5.830 1 0 KKAFMO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(C[N@H+]6CCCOCC6)cc5)c4)CC3)cn21 ZINC000167575712 562850972 /nfs/dbraw/zinc/85/09/72/562850972.db2.gz NVWPLACNJIFCAK-MEKGRNQZSA-N 1 1 676.793 6.329 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290861 562851812 /nfs/dbraw/zinc/85/18/12/562851812.db2.gz KIMKESVEZODZRF-VWNXMTODSA-N 1 1 526.690 6.012 1 0 KKAFMO COc1cccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c1 ZINC000169291664 562851943 /nfs/dbraw/zinc/85/19/43/562851943.db2.gz JWRIEQXHORQLBO-CWHDFZJVSA-N 1 1 508.706 6.269 1 0 KKAFMO C/C=C1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CC[N@H+]5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@@H]1O ZINC000169292100 562851981 /nfs/dbraw/zinc/85/19/81/562851981.db2.gz SAOCQHSCOLQBFR-NMWCRYOMSA-N 1 1 586.780 5.061 1 0 KKAFMO CC(C)Oc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000169292127 562851990 /nfs/dbraw/zinc/85/19/90/562851990.db2.gz XFOARTFWCZZTDK-WXHXINMQSA-N 1 1 536.760 7.048 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169295946 562852435 /nfs/dbraw/zinc/85/24/35/562852435.db2.gz XACYZNUBDRDHNM-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169295946 562852436 /nfs/dbraw/zinc/85/24/36/562852436.db2.gz XACYZNUBDRDHNM-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169295946 562852437 /nfs/dbraw/zinc/85/24/37/562852437.db2.gz XACYZNUBDRDHNM-IZZNHLLZSA-N 1 1 548.609 5.977 1 0 KKAFMO CCCCC[C@H](C)[N@H+](Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306571 562853560 /nfs/dbraw/zinc/85/35/60/562853560.db2.gz FIONLWWAACCOFK-YUDQIZAISA-N 1 1 582.782 6.954 1 0 KKAFMO CCCCC[C@H](C)[N@@H+](Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306571 562853561 /nfs/dbraw/zinc/85/35/61/562853561.db2.gz FIONLWWAACCOFK-YUDQIZAISA-N 1 1 582.782 6.954 1 0 KKAFMO Clc1ccc(-c2c/c(=N\CCC[NH+]3CCOCC3)c3cc(Br)ccc3s2)cc1Cl ZINC000169316885 562855845 /nfs/dbraw/zinc/85/58/45/562855845.db2.gz YXCZBFQRYXOZMI-LHLOQNFPSA-N 1 1 512.300 6.261 1 0 KKAFMO 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 562856717 /nfs/dbraw/zinc/85/67/17/562856717.db2.gz OJVPMYOYQFRHSC-BHVANESWSA-N 1 1 731.356 7.165 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCc4ccccc4C3)n2)CC1 ZINC000169323825 562857202 /nfs/dbraw/zinc/85/72/02/562857202.db2.gz SVLWWANZVMJUMJ-UHFFFAOYSA-N 1 1 578.124 5.875 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@H+]1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343516 562861175 /nfs/dbraw/zinc/86/11/75/562861175.db2.gz QXBBLTVHGIMTJE-QEZSNJNGSA-N 1 1 699.814 8.614 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3cccc(F)c3)c(=O)cc2C)cc1F ZINC000169350404 562862830 /nfs/dbraw/zinc/86/28/30/562862830.db2.gz OHOIQYVRPXKLSA-UHFFFAOYSA-N 1 1 670.717 5.437 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350729 562862938 /nfs/dbraw/zinc/86/29/38/562862938.db2.gz HECDTLBFMUFDFS-UHFFFAOYSA-N 1 1 653.711 5.691 1 0 KKAFMO CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(c7cc[nH+]cc7)CC6)ccc5[nH]4)cc3[nH]2)cc1 ZINC000169352845 562863280 /nfs/dbraw/zinc/86/32/80/562863280.db2.gz VQRJMJSKWYMBDP-UHFFFAOYSA-N 1 1 515.621 5.894 1 0 KKAFMO C[C@H](O)[C@@H](CC[N@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169354751 562863680 /nfs/dbraw/zinc/86/36/80/562863680.db2.gz LRBSYXWKXPQNJU-HBBOOPDASA-N 1 1 554.575 6.034 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000169364901 562864414 /nfs/dbraw/zinc/86/44/14/562864414.db2.gz PVVAQUKXSCGSNX-HEVXJQBOSA-N 1 1 576.625 7.596 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC4(CCCCC4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169371690 562864799 /nfs/dbraw/zinc/86/47/99/562864799.db2.gz ROPBDLZCVLFSRF-HXYCTHPDSA-N 1 1 636.786 5.444 1 0 KKAFMO Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)[nH+]c1 ZINC000169698925 562867491 /nfs/dbraw/zinc/86/74/91/562867491.db2.gz VAKMPGKSYBTIFC-JOMNFKBKSA-N 1 1 565.089 5.914 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)C[C@H]1c1ccccc1 ZINC000169703607 562868851 /nfs/dbraw/zinc/86/88/51/562868851.db2.gz FKKPCVOHLPWGCG-DODOAAEWSA-N 1 1 561.686 5.413 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)C[C@H]1c1ccccc1 ZINC000169703607 562868852 /nfs/dbraw/zinc/86/88/52/562868852.db2.gz FKKPCVOHLPWGCG-DODOAAEWSA-N 1 1 561.686 5.413 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000195350752 562871691 /nfs/dbraw/zinc/87/16/91/562871691.db2.gz CLWKFAZQUOWPKF-DCZVSMAXSA-N 1 1 644.765 5.482 1 0 KKAFMO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000201956326 562873596 /nfs/dbraw/zinc/87/35/96/562873596.db2.gz NEFWYBQTGGELJS-PFFFZIHFSA-N 1 1 623.823 5.516 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@@H]([N@@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422872 562874467 /nfs/dbraw/zinc/87/44/67/562874467.db2.gz VVYWQZGWGMFFKQ-WXVAWEFUSA-N 1 1 544.704 5.051 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cn(C)nc4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430351 562874524 /nfs/dbraw/zinc/87/45/24/562874524.db2.gz GNPHQNSDIUTJNI-QFIPXVFZSA-N 1 1 514.678 5.079 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(NC3CCC3)n2n1 ZINC000205492259 562875478 /nfs/dbraw/zinc/87/54/78/562875478.db2.gz YYHDAVACMYFRID-UHFFFAOYSA-N 1 1 568.689 5.511 1 0 KKAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1Cl)C1CCOCC1 ZINC000205712742 562875738 /nfs/dbraw/zinc/87/57/38/562875738.db2.gz DGCNEYPMLOTXMG-UHFFFAOYSA-N 1 1 593.168 5.080 1 0 KKAFMO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CC[NH+](C4CCN(C)CC4)CC3)nc2)cc(N(CC)C2CCOCC2)c1C ZINC000205713511 562875743 /nfs/dbraw/zinc/87/57/43/562875743.db2.gz NWQWVNMSRQPVFF-UHFFFAOYSA-N 1 1 683.942 5.158 1 0 KKAFMO CC(C)COC(=O)N1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206739492 562876510 /nfs/dbraw/zinc/87/65/10/562876510.db2.gz BTMZYXPEBGRTQS-UHFFFAOYSA-N 1 1 564.082 7.120 1 0 KKAFMO CC1CCC(Cn2c(N3CCO[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642498 562876918 /nfs/dbraw/zinc/87/69/18/562876918.db2.gz PDFUVLMSDRPILV-MMJGTUOCSA-N 1 1 655.203 5.796 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)CCCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000222700173 562879911 /nfs/dbraw/zinc/87/99/11/562879911.db2.gz FDRQRJPZKVDVIJ-CXIRQAHBSA-N 1 1 553.106 6.783 1 0 KKAFMO CC[C@@H]1CCCCN1CC(=O)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCCC[C@H]4CC)sc3cc2s1 ZINC000253637266 562882381 /nfs/dbraw/zinc/88/23/81/562882381.db2.gz SUJGSESYFOQYFR-QZTJIDSGSA-N 1 1 528.748 5.312 1 0 KKAFMO CC[C@@H]1CCCCN1CC(=O)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCCC[C@H]4CC)sc3cc2s1 ZINC000253637266 562882382 /nfs/dbraw/zinc/88/23/82/562882382.db2.gz SUJGSESYFOQYFR-QZTJIDSGSA-N 1 1 528.748 5.312 1 0 KKAFMO CCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OCc2ccc(C(F)(F)F)cc2)c1OC ZINC000299825069 562883447 /nfs/dbraw/zinc/88/34/47/562883447.db2.gz VYPVGMDHXHKMCY-IUKPUOCZSA-N 1 1 630.671 6.569 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4C[C@@H](C)[N@H+](C)[C@@H](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299826958 562884028 /nfs/dbraw/zinc/88/40/28/562884028.db2.gz FJTHZODJYYGEFT-ZRZAMGCNSA-N 1 1 568.722 5.230 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(Cl)c(Cl)cc34)cc2)c1C ZINC000299830277 562885169 /nfs/dbraw/zinc/88/51/69/562885169.db2.gz MHDNDYQETKJDDA-UHFFFAOYSA-N 1 1 595.531 5.451 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(C)c(Br)cc34)cc2)c1C ZINC000299833969 562886330 /nfs/dbraw/zinc/88/63/30/562886330.db2.gz SGYFUQRGLJGWCD-UHFFFAOYSA-N 1 1 619.564 5.215 1 0 KKAFMO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(O)cc1O ZINC000299835756 562886933 /nfs/dbraw/zinc/88/69/33/562886933.db2.gz LLRLVSMTALSDMY-HDICACEKSA-N 1 1 505.615 5.501 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCN(Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836393 562887129 /nfs/dbraw/zinc/88/71/29/562887129.db2.gz ZQMJKQGLBIJIRP-UUWRZZSWSA-N 1 1 575.797 7.185 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCN(Cc5ccc6ccccc6c5)CC4)C3)cc2)cc1 ZINC000299836393 562887130 /nfs/dbraw/zinc/88/71/30/562887130.db2.gz ZQMJKQGLBIJIRP-UUWRZZSWSA-N 1 1 575.797 7.185 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000299837838 562887668 /nfs/dbraw/zinc/88/76/68/562887668.db2.gz RYSYVUSXNRKLCL-HSZRJFAPSA-N 1 1 524.669 6.338 1 0 KKAFMO CC(C)[NH2+][C@@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000299838294 562887773 /nfs/dbraw/zinc/88/77/73/562887773.db2.gz ULXXLCZMVVOIBI-MHZLTWQESA-N 1 1 609.123 7.089 1 0 KKAFMO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+](C)C3CCCCC3)cc2)c(O)cc1O ZINC000299838613 562887884 /nfs/dbraw/zinc/88/78/84/562887884.db2.gz VOHTVEKGONPVHC-UHFFFAOYSA-N 1 1 503.643 6.656 1 0 KKAFMO CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ncc(Cl)cn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)OCC(=O)N1CC[NH+](C)CC1 ZINC000299841263 562888804 /nfs/dbraw/zinc/88/88/04/562888804.db2.gz YVSBBNJJGIPDHM-NTCAYCPXSA-N 1 1 782.342 5.967 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@@H]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000299846115 562889626 /nfs/dbraw/zinc/88/96/26/562889626.db2.gz JVGYQPLXCUBDBY-SMCANUKXSA-N 1 1 640.821 7.838 1 0 KKAFMO COCCC[NH+]1CCC([C@H]2CC[C@H](n3nc(-c4ccc5[nH]c(Cc6ccccc6Cl)nc5c4)c4c3ncnc4N)CC2)CC1 ZINC000299849160 562890451 /nfs/dbraw/zinc/89/04/51/562890451.db2.gz ZRTDGPKHIJCQNA-PGWJBFNOSA-N 1 1 613.210 6.676 1 0 KKAFMO O=c1c(-c2ccc(Cl)cc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299855430 562891657 /nfs/dbraw/zinc/89/16/57/562891657.db2.gz FBQCJIVBLCYBPN-UHFFFAOYSA-N 1 1 543.042 5.972 1 0 KKAFMO O=c1cc(C(F)(F)F)c2ccc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299861179 562893191 /nfs/dbraw/zinc/89/31/91/562893191.db2.gz KSBYNLFEJIVFPB-UHFFFAOYSA-N 1 1 580.651 5.737 1 0 KKAFMO CCOC(=O)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000299863702 562893918 /nfs/dbraw/zinc/89/39/18/562893918.db2.gz LKFZQQPVUYHFIA-PKTZIBPZSA-N 1 1 531.537 6.884 1 0 KKAFMO Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@@H]3CC[N@H+](C)C3)n2)c1 ZINC000299872073 562895838 /nfs/dbraw/zinc/89/58/38/562895838.db2.gz ZVWGEJGFGJKETG-HSZRJFAPSA-N 1 1 598.647 5.132 1 0 KKAFMO O=[N+]([O-])C1=C(NCc2ccccc2)Oc2ccccc2[C@H]1c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473086007 562897017 /nfs/dbraw/zinc/89/70/17/562897017.db2.gz ZWGKGTTWJFQEIX-MGBGTMOVSA-N 1 1 604.110 6.975 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094812 562897822 /nfs/dbraw/zinc/89/78/22/562897822.db2.gz WHVXVHKHGIXKRO-PMERELPUSA-N 1 1 587.761 5.696 1 0 KKAFMO CC(C)OC(=O)N1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000473108769 562898415 /nfs/dbraw/zinc/89/84/15/562898415.db2.gz OKWTUKIUSXTPII-UHFFFAOYSA-N 1 1 550.055 6.872 1 0 KKAFMO CC[N@@H+](CCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473114723 562899002 /nfs/dbraw/zinc/89/90/02/562899002.db2.gz PGLPKZNOTXSODX-UHFFFAOYSA-N 1 1 503.595 5.777 1 0 KKAFMO COc1ccccc1C[N@H+](C)CCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473116236 562899123 /nfs/dbraw/zinc/89/91/23/562899123.db2.gz VVQLRZSFUITXQD-UHFFFAOYSA-N 1 1 505.567 5.005 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473116236 562899124 /nfs/dbraw/zinc/89/91/24/562899124.db2.gz VVQLRZSFUITXQD-UHFFFAOYSA-N 1 1 505.567 5.005 1 0 KKAFMO CC[N@@H+](CCCCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1)Cc1ccccc1OC ZINC000473117294 562899162 /nfs/dbraw/zinc/89/91/62/562899162.db2.gz YJRNMQLYGRHJSW-UHFFFAOYSA-N 1 1 561.675 6.653 1 0 KKAFMO CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)C[C@@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129474 562900027 /nfs/dbraw/zinc/90/00/27/562900027.db2.gz HCEKERAQUTWNGZ-QRWXSKHGSA-N 1 1 599.791 7.996 1 0 KKAFMO CO[C@H]1C[C@@](CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)(OC(=O)C(C)C)[C@@H](C(C)C)c2ccc(F)cc21 ZINC000473129563 562900039 /nfs/dbraw/zinc/90/00/39/562900039.db2.gz HQBVENHUOCSWIS-DEDOGFMKSA-N 1 1 523.693 6.426 1 0 KKAFMO CC(C)(C)C(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(OCCC[NH+]4CCOCC4)c(F)c3)cc2)cn1 ZINC000473134824 562900551 /nfs/dbraw/zinc/90/05/51/562900551.db2.gz IMWITBJSSPVTLO-UHFFFAOYSA-N 1 1 549.647 5.617 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136638 562901105 /nfs/dbraw/zinc/90/11/05/562901105.db2.gz TWRGSFQMYKPGBO-VMVXDNPCSA-N 1 1 536.701 6.780 1 0 KKAFMO CCCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152110 562901698 /nfs/dbraw/zinc/90/16/98/562901698.db2.gz GPJMBLDQDSVHNX-IRJFHVNHSA-N 1 1 514.497 6.851 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159096 562902681 /nfs/dbraw/zinc/90/26/81/562902681.db2.gz GAPYLQYHVCOVEC-TZYHBYERSA-N 1 1 550.099 5.321 1 0 KKAFMO COCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C2CCCC2)nn1 ZINC000473159694 562902782 /nfs/dbraw/zinc/90/27/82/562902782.db2.gz XNOSHWKNNVMTIA-MNNSJKJDSA-N 1 1 605.658 5.865 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccncc2)C(C)C)nn1 ZINC000473166253 562903025 /nfs/dbraw/zinc/90/30/25/562903025.db2.gz FSMFTHPDNIOSTO-IBVKSMDESA-N 1 1 521.559 5.270 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C2CCCC2)nn1 ZINC000473169890 562903141 /nfs/dbraw/zinc/90/31/41/562903141.db2.gz OQDQGSSUGQXEKZ-DJUQAAIZSA-N 1 1 603.686 7.019 1 0 KKAFMO C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473198578 562903731 /nfs/dbraw/zinc/90/37/31/562903731.db2.gz PWNHLINSFSHUOG-ATZDWAIDSA-N 1 1 541.067 5.237 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000473198576 562903778 /nfs/dbraw/zinc/90/37/78/562903778.db2.gz PRXOLTBHQZKAOZ-MHPIHPPYSA-N 1 1 543.495 5.361 1 0 KKAFMO O=C([O-])C[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 ZINC000473215197 562903914 /nfs/dbraw/zinc/90/39/14/562903914.db2.gz BULRYAVAAXWJIN-IWQSBPKASA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215197 562903915 /nfs/dbraw/zinc/90/39/15/562903915.db2.gz BULRYAVAAXWJIN-IWQSBPKASA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)C1 ZINC000473215197 562903916 /nfs/dbraw/zinc/90/39/16/562903916.db2.gz BULRYAVAAXWJIN-IWQSBPKASA-N 1 1 504.719 5.827 1 0 KKAFMO O=C([O-])CC[NH+]1CC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215527 562904122 /nfs/dbraw/zinc/90/41/22/562904122.db2.gz XOOYTDBKHPSAED-KEQUZKIMSA-N 1 1 504.719 5.827 1 0 KKAFMO Cn1ccnc1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236472 562904639 /nfs/dbraw/zinc/90/46/39/562904639.db2.gz KNVZCDCWXGRYIU-QIPLTTJJSA-N 1 1 570.826 6.130 1 0 KKAFMO CCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603337 562905232 /nfs/dbraw/zinc/90/52/32/562905232.db2.gz BVVJNIXKEAOEEH-GDLZYMKVSA-N 1 1 515.698 5.764 1 0 KKAFMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(cnnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000474606206 562905371 /nfs/dbraw/zinc/90/53/71/562905371.db2.gz HRXHBTWQMZFPFY-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(cnnc4Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3)cc2)CC1 ZINC000474606206 562905372 /nfs/dbraw/zinc/90/53/72/562905372.db2.gz HRXHBTWQMZFPFY-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NCCCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474607958 562905456 /nfs/dbraw/zinc/90/54/56/562905456.db2.gz KRPXDFJBGKVXTA-MGBGTMOVSA-N 1 1 563.742 6.207 1 0 KKAFMO Fc1cccc(COc2ccc([NH+]=C3NC=N[C@@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@@H]34)cc2Cl)c1 ZINC000474609923 562905772 /nfs/dbraw/zinc/90/57/72/562905772.db2.gz XISMJZPTIYZMMN-LEAFIULHSA-N 1 1 549.071 6.272 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4ccc(C(C)(C)C)cc4)nn3)cc1)CC2 ZINC000653720522 562908719 /nfs/dbraw/zinc/90/87/19/562908719.db2.gz FDMDSXAVZYRXDW-UHFFFAOYSA-N 1 1 526.681 5.762 1 0 KKAFMO COc1ccccc1-n1c(=O)c(C(=O)Nc2ccc(Oc3ccnc4cc(OCCC[NH+]5CCOCC5)c(OC)cc43)c(F)c2)c(Cl)c2ccccc21 ZINC000653721933 562908778 /nfs/dbraw/zinc/90/87/78/562908778.db2.gz MLMZBADQHQYMTR-UHFFFAOYSA-N 1 1 739.200 7.494 1 0 KKAFMO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc1)nc1ccccc12 ZINC000653737638 562909829 /nfs/dbraw/zinc/90/98/29/562909829.db2.gz NENCHQDYZZJJET-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CCOC(=O)c1cn2c(c1-c1ccccc1)c(-c1ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc1)nc1ccccc12 ZINC000653737638 562909830 /nfs/dbraw/zinc/90/98/30/562909830.db2.gz NENCHQDYZZJJET-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CN(c1ccc(OCC[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653739159 562910012 /nfs/dbraw/zinc/91/00/12/562910012.db2.gz KNYOZDYTSXWXQK-UHFFFAOYSA-N 1 1 522.480 5.901 1 0 KKAFMO Cc1nc2ccccc2c(N(C)c2ccc(OCC[NH+]3CCN(Cc4ccccc4Cl)CC3)cc2)n1 ZINC000653739177 562910022 /nfs/dbraw/zinc/91/00/22/562910022.db2.gz RFWCBCCAJIMGOE-UHFFFAOYSA-N 1 1 502.062 5.556 1 0 KKAFMO CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)N[C@@H](C)C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1)[C@@H](C)CC ZINC000653782561 562912207 /nfs/dbraw/zinc/91/22/07/562912207.db2.gz GBLBXAVMBWMHLH-OSFLMINUSA-N 1 1 828.455 7.009 1 0 KKAFMO O=C(c1ccc2ccccc2c1)N1CC[NH+](Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1 ZINC000653802203 562913479 /nfs/dbraw/zinc/91/34/79/562913479.db2.gz LSWBWHSOGCCPBB-UHFFFAOYSA-N 1 1 513.563 6.761 1 0 KKAFMO CC[NH+]1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 ZINC000653867802 562916295 /nfs/dbraw/zinc/91/62/95/562916295.db2.gz UKTICNMOUVEYRR-UHFFFAOYSA-N 1 1 527.591 5.253 1 0 KKAFMO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916451 /nfs/dbraw/zinc/91/64/51/562916451.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 1 1 517.636 5.390 1 0 KKAFMO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653871688 562916452 /nfs/dbraw/zinc/91/64/52/562916452.db2.gz PRHYHBFJCHHYCB-PRIVDUIQSA-N 1 1 517.636 5.390 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000085493078 565127936 /nfs/dbraw/zinc/12/79/36/565127936.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 1 1 682.814 6.794 1 0 biogenic,in-vitro KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@@H+]2C)OCO4)cc1 ZINC000085493078 565127948 /nfs/dbraw/zinc/12/79/48/565127948.db2.gz NUOHHDAPZZRIHO-ACHIHNKUSA-N 1 1 682.814 6.794 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532357 565137638 /nfs/dbraw/zinc/13/76/38/565137638.db2.gz FEXLIAQLTRVUJK-JASGKPDZSA-N 1 1 615.855 7.633 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532342 565137686 /nfs/dbraw/zinc/13/76/86/565137686.db2.gz PIDLOTLNRJBNFJ-DJIQQCKHSA-N 1 1 603.800 6.021 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532251 565137691 /nfs/dbraw/zinc/13/76/91/565137691.db2.gz BEADWTJFLIVDMB-CTDQSMPZSA-N 1 1 647.853 5.578 1 0 biogenic,in-vitro KKAFMO COc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)[nH+]c5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568392 565143493 /nfs/dbraw/zinc/14/34/93/565143493.db2.gz OYHSBGWXDPXTFD-XGKWJFTRSA-N 1 1 622.718 6.376 1 0 biogenic,in-vitro KKAFMO COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CC[N@@H+]5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648337 565169515 /nfs/dbraw/zinc/16/95/15/565169515.db2.gz QRDWMPVLZIOGCZ-QRMOXYPWSA-N 1 1 623.790 7.770 1 0 biogenic,in-vitro KKAFMO Cc1ccc(-c2cccc3c(NC(=O)Nc4ccc5[nH+]ccc(N6CCN(C)CC6)c5c4)cccc23)cn1 ZINC000001490029 561676244 /nfs/dbraw/zinc/67/62/44/561676244.db2.gz ORTGNQGEQSBVFU-UHFFFAOYSA-N 1 1 502.622 6.154 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nn[nH]c3c2)c1 ZINC000003943282 561689551 /nfs/dbraw/zinc/68/95/51/561689551.db2.gz ULSCNHRBLXYHIC-WUXOVTSDSA-N 1 1 602.827 7.337 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]nnc3c2)c1 ZINC000003943282 561689553 /nfs/dbraw/zinc/68/95/53/561689553.db2.gz ULSCNHRBLXYHIC-WUXOVTSDSA-N 1 1 602.827 7.337 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000003842946 561684183 /nfs/dbraw/zinc/68/41/83/561684183.db2.gz ZOCXCJCZDPOQKF-UHFFFAOYSA-N 1 1 613.705 6.938 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000003842946 561684185 /nfs/dbraw/zinc/68/41/85/561684185.db2.gz ZOCXCJCZDPOQKF-UHFFFAOYSA-N 1 1 613.705 6.938 1 0 KKAFMO CCCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922463 561685862 /nfs/dbraw/zinc/68/58/62/561685862.db2.gz RINLDGHJOYWYQL-UHFFFAOYSA-N 1 1 565.732 6.569 1 0 KKAFMO COc1ccccc1C[N@H+]1CCCC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1 ZINC000003955800 561690905 /nfs/dbraw/zinc/69/09/05/561690905.db2.gz AUTGSYVNUTZONK-UHFFFAOYSA-N 1 1 514.510 6.251 1 0 KKAFMO COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@@H+](Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455674 561713620 /nfs/dbraw/zinc/71/36/20/561713620.db2.gz LOXUUVJTKHHJKI-JOCHJYFZSA-N 1 1 500.658 7.186 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585162 561705856 /nfs/dbraw/zinc/70/58/56/561705856.db2.gz GERZIBJSNHFDPD-OXVBVIIPSA-N 1 1 611.185 8.877 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585198 561705867 /nfs/dbraw/zinc/70/58/67/561705867.db2.gz MTMAYQKEAVNSAJ-KRKCRBJRSA-N 1 1 536.075 6.605 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000008585130 561705876 /nfs/dbraw/zinc/70/58/76/561705876.db2.gz RTXHEHJHOFHRFX-QHHIVDTJSA-N 1 1 505.702 7.542 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585810 561705916 /nfs/dbraw/zinc/70/59/16/561705916.db2.gz KUOJETNPGHHXFO-DYAPXYCXSA-N 1 1 536.075 6.605 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000008586121 561705951 /nfs/dbraw/zinc/70/59/51/561705951.db2.gz KRBGXVBDTBOSTH-OWGSQAEBSA-N 1 1 505.702 7.542 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586113 561706009 /nfs/dbraw/zinc/70/60/09/561706009.db2.gz VDADFPWGIVKDSN-NNLMEJECSA-N 1 1 611.185 8.877 3 0 KKAFMO COc1ccc(C[N@@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F ZINC000013473319 561714374 /nfs/dbraw/zinc/71/43/74/561714374.db2.gz OPWHNQJROOXYEZ-UHFFFAOYSA-N 1 1 526.652 5.965 1 0 KKAFMO Cc1c(-c2ccc(C(C)C)cc2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559583 561719488 /nfs/dbraw/zinc/71/94/88/561719488.db2.gz BUKGCCJDMKPLDD-UHFFFAOYSA-N 1 1 532.635 5.005 1 0 KKAFMO CC(=O)c1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(C(C)=O)c1 ZINC000013613303 561722074 /nfs/dbraw/zinc/72/20/74/561722074.db2.gz XNECWHFEDUTGHE-NDIVSWGXSA-N 1 1 507.650 5.866 1 0 KKAFMO C[N@H+]1CCCC[C@H]1Cn1cc(C(=O)c2ccc(I)c3ccccc23)c2ccccc21 ZINC000013674191 561723846 /nfs/dbraw/zinc/72/38/46/561723846.db2.gz YQBRYEMSCWENAH-SFHVURJKSA-N 1 1 508.403 6.114 1 0 KKAFMO CCCCNC(=O)Oc1cccc(C[N@@H+](C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000013781334 561729293 /nfs/dbraw/zinc/72/92/93/561729293.db2.gz ZRALBZBQZUJSPR-UHFFFAOYSA-N 1 1 514.622 6.249 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000013802264 561730749 /nfs/dbraw/zinc/73/07/49/561730749.db2.gz YXSIJTCCPXNLJX-LJAQVGFWSA-N 1 1 509.641 6.237 1 0 KKAFMO CCN(CC)C(=O)c1ccc(N(c2cccc(OC)c2)[C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C[C@@H]2C)cc1 ZINC000013862311 561734783 /nfs/dbraw/zinc/73/47/83/561734783.db2.gz HQFRWUIYOKLMKL-RAIFYMORSA-N 1 1 511.710 6.739 1 0 KKAFMO CN(C)C(=O)C1([NH+]2CCCCC2)CCN(CC[C@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000014166280 561737193 /nfs/dbraw/zinc/73/71/93/561737193.db2.gz RVQZVVJLIUXDPN-JGCGQSQUSA-N 1 1 601.619 5.160 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000014294860 561739498 /nfs/dbraw/zinc/73/94/98/561739498.db2.gz UJELWGXJMXZTIC-GDLZYMKVSA-N 1 1 567.677 5.564 1 0 KKAFMO C[NH+](C)Cc1ccccc1-c1ccc(-c2n[nH]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1 ZINC000014951318 561746039 /nfs/dbraw/zinc/74/60/39/561746039.db2.gz IHADKCDCROVAKF-UHFFFAOYSA-N 1 1 545.525 5.659 1 0 KKAFMO OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000017194643 561754278 /nfs/dbraw/zinc/75/42/78/561754278.db2.gz YAEJOANLERDYGA-WNQXLSPZSA-N 1 1 523.673 5.619 1 0 KKAFMO COc1cc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545878 561756122 /nfs/dbraw/zinc/75/61/22/561756122.db2.gz RQIACJOCHQVTGC-IZZNHLLZSA-N 1 1 620.743 5.091 3 0 KKAFMO COc1cc([C@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545884 561756175 /nfs/dbraw/zinc/75/61/75/561756175.db2.gz RQIACJOCHQVTGC-CLJLJLNGSA-N 1 1 620.743 5.091 3 0 KKAFMO Clc1ccc([C@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000017577524 561756640 /nfs/dbraw/zinc/75/66/40/561756640.db2.gz ZEPXBJNKUZWBDJ-PERBVQQVSA-N 1 1 553.149 9.091 3 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OCC2CC2)C1 ZINC000026149812 561767545 /nfs/dbraw/zinc/76/75/45/561767545.db2.gz UUKCJRIPKQWEID-HKBQPEDESA-N 1 1 510.722 6.922 1 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OCC2CC2)C1 ZINC000026149803 561767578 /nfs/dbraw/zinc/76/75/78/561767578.db2.gz UUKCJRIPKQWEID-WJOKGBTCSA-N 1 1 510.722 6.922 1 0 KKAFMO O[C@H](CCN1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 ZINC000019365462 561758344 /nfs/dbraw/zinc/75/83/44/561758344.db2.gz WPTBYSWSMZEWGH-HHHXNRCGSA-N 1 1 545.468 5.575 1 0 KKAFMO CC(C)CCC(=O)OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022594948 561759415 /nfs/dbraw/zinc/75/94/15/561759415.db2.gz DKSIRHYATTYLCE-UHFFFAOYSA-N 1 1 535.676 6.295 1 0 KKAFMO COc1ccc(-c2cc(CCCC[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)cc1OC ZINC000022924671 561759581 /nfs/dbraw/zinc/75/95/81/561759581.db2.gz RRGIAVYUCTYDDX-UHFFFAOYSA-N 1 1 511.666 6.089 1 0 KKAFMO COc1ccc2c(c1)CC[C@H](C[NH+]1CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C2=O ZINC000022927643 561759874 /nfs/dbraw/zinc/75/98/74/561759874.db2.gz YHMABVAVFRAMNQ-RUZDIDTESA-N 1 1 520.620 5.142 1 0 KKAFMO O=C1CC[C@](CCN2CC([NH+]3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000023254580 561761477 /nfs/dbraw/zinc/76/14/77/561761477.db2.gz WNKRABSIBSPIHJ-HHHXNRCGSA-N 1 1 560.532 6.187 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Cc4ccccc4)nc3n2)CC1 ZINC000023357787 561761768 /nfs/dbraw/zinc/76/17/68/561761768.db2.gz VVOJUAZROSTQRF-UHFFFAOYSA-N 1 1 564.521 5.229 1 0 KKAFMO CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000026145816 561767174 /nfs/dbraw/zinc/76/71/74/561767174.db2.gz BDEAPIBOCDRCEQ-YERGJTCLSA-N 1 1 602.860 7.031 1 0 KKAFMO COc1ccc([C@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SCc2ccccc2)cc1OC ZINC000026189999 561773454 /nfs/dbraw/zinc/77/34/54/561773454.db2.gz GXEBXJCYTURXIM-YTTGMZPUSA-N 1 1 535.750 7.314 1 0 KKAFMO COc1ccc([C@@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271223 561777359 /nfs/dbraw/zinc/77/73/59/561777359.db2.gz KLIWAWKHWKQIAF-JGCGQSQUSA-N 1 1 579.803 7.880 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000026272849 561777434 /nfs/dbraw/zinc/77/74/34/561777434.db2.gz FGWGTCUSAKNWBN-UHFFFAOYSA-N 1 1 637.756 6.329 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273504 561777616 /nfs/dbraw/zinc/77/76/16/561777616.db2.gz MAWFLIXGSFCFQL-PMERELPUSA-N 1 1 559.694 8.363 1 0 KKAFMO COc1ccc([C@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274519 561777873 /nfs/dbraw/zinc/77/78/73/561777873.db2.gz GINSMERMFDOMOV-NDEPHWFRSA-N 1 1 501.733 6.913 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccncc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026277548 561778583 /nfs/dbraw/zinc/77/85/83/561778583.db2.gz AQZSZTYPDANNPB-UHFFFAOYSA-N 1 1 631.708 6.133 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026287221 561779911 /nfs/dbraw/zinc/77/99/11/561779911.db2.gz VDGIWFABCWUAFZ-DNQXCXABSA-N 1 1 551.518 6.219 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2ccc(OC)cc2)c(C)n3Cc2ccccc2F)cc1 ZINC000026288201 561780059 /nfs/dbraw/zinc/78/00/59/561780059.db2.gz LJDDTQNHWVSQDI-UHFFFAOYSA-N 1 1 617.725 6.413 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2ccc(OC)cc2)c(C)n3Cc2ccccc2F)cc1 ZINC000026288201 561780060 /nfs/dbraw/zinc/78/00/60/561780060.db2.gz LJDDTQNHWVSQDI-UHFFFAOYSA-N 1 1 617.725 6.413 1 0 KKAFMO CN(C[C@@H](CC[N@H+]1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288512 561780194 /nfs/dbraw/zinc/78/01/94/561780194.db2.gz FPXIRXAXVYUYRD-DHIUTWEWSA-N 1 1 537.491 5.829 1 0 KKAFMO NC(=O)CN[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 561787260 /nfs/dbraw/zinc/78/72/60/561787260.db2.gz OXQZXDGLSIMETJ-GGXMVOPNSA-N 1 1 706.555 7.149 1 0 KKAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CC[N@@H+]([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026479542 561791566 /nfs/dbraw/zinc/79/15/66/561791566.db2.gz IOAZQBRQOPSGMR-IADCTJSHSA-N 1 1 579.711 6.097 1 0 KKAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026479542 561791567 /nfs/dbraw/zinc/79/15/67/561791567.db2.gz IOAZQBRQOPSGMR-IADCTJSHSA-N 1 1 579.711 6.097 1 0 KKAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](Cc3ccccc3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026479542 561791568 /nfs/dbraw/zinc/79/15/68/561791568.db2.gz IOAZQBRQOPSGMR-IADCTJSHSA-N 1 1 579.711 6.097 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCc2c[nH]cn2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026494896 561794081 /nfs/dbraw/zinc/79/40/81/561794081.db2.gz OWBWARGFQVDZMH-HKBQPEDESA-N 1 1 579.834 5.866 1 0 KKAFMO Brc1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCCN1CCCC1 ZINC000026505996 561796556 /nfs/dbraw/zinc/79/65/56/561796556.db2.gz YILHZESDKGFLKJ-UHFFFAOYSA-N 1 1 605.642 7.871 1 0 KKAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026578133 561802839 /nfs/dbraw/zinc/80/28/39/561802839.db2.gz PJHBYMVWXMMXGU-HSZRJFAPSA-N 1 1 607.625 5.609 1 0 KKAFMO CN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642276 561806729 /nfs/dbraw/zinc/80/67/29/561806729.db2.gz AMUYEBYBXUGDJP-JOCHJYFZSA-N 1 1 607.625 5.609 1 0 KKAFMO CC(C)N1CCN(CCN2CC[NH+]([C@@H]3C[C@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662779 561810628 /nfs/dbraw/zinc/81/06/28/561810628.db2.gz MNGBFDADKNTDGN-AOYPEHQESA-N 1 1 501.502 5.334 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026728239 561816314 /nfs/dbraw/zinc/81/63/14/561816314.db2.gz JEUCGGOZAIJNFG-BESSAKRQSA-N 1 1 506.602 5.365 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026729840 561816647 /nfs/dbraw/zinc/81/66/47/561816647.db2.gz RXOYYGMYKUAUNP-PFFZYSGCSA-N 1 1 520.629 5.152 1 0 KKAFMO CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C[N@H+](C)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026733532 561816915 /nfs/dbraw/zinc/81/69/15/561816915.db2.gz ZRLCBJJQGOWUDS-GDLZYMKVSA-N 1 1 526.637 6.141 1 0 KKAFMO CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3C2=C[N@@H+](C)CC=C2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026733532 561816917 /nfs/dbraw/zinc/81/69/17/561816917.db2.gz ZRLCBJJQGOWUDS-GDLZYMKVSA-N 1 1 526.637 6.141 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026942342 561828188 /nfs/dbraw/zinc/82/81/88/561828188.db2.gz UCQRXBZYKFZLPN-LJAQVGFWSA-N 1 1 634.435 6.580 1 0 KKAFMO CCOC(=O)N1C(=S)NC(C)=C(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026985984 561831862 /nfs/dbraw/zinc/83/18/62/561831862.db2.gz FVYCHGZRYVAZJF-HOGKFDNTSA-N 1 1 535.588 5.883 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027092939 561837593 /nfs/dbraw/zinc/83/75/93/561837593.db2.gz NEQCNKROELRVIU-UHFFFAOYSA-N 1 1 586.639 5.349 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3cccc(OC)c3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027092939 561837595 /nfs/dbraw/zinc/83/75/95/561837595.db2.gz NEQCNKROELRVIU-UHFFFAOYSA-N 1 1 586.639 5.349 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)cc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027100052 561838479 /nfs/dbraw/zinc/83/84/79/561838479.db2.gz FVEWABDTCRXLJS-OGICNVKRSA-N 1 1 528.652 5.820 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nc(NC[C@@H]5CCCO5)cc[nH+]4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027109806 561841227 /nfs/dbraw/zinc/84/12/27/561841227.db2.gz KHCDCMYZOCCALQ-VSBJFVJKSA-N 1 1 627.874 7.557 1 0 KKAFMO CC[C@H](C[C@@H](CC[NH+]1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027110087 561841325 /nfs/dbraw/zinc/84/13/25/561841325.db2.gz LOLWRZCPZJOLKK-XLJNKUFUSA-N 1 1 576.803 6.926 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027188270 561843079 /nfs/dbraw/zinc/84/30/79/561843079.db2.gz DUHUSDFRRFGDLW-BHBYDHKZSA-N 1 1 562.776 6.536 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@H](C[C@@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027188257 561843102 /nfs/dbraw/zinc/84/31/02/561843102.db2.gz DUHUSDFRRFGDLW-POURPWNDSA-N 1 1 562.776 6.536 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000027298343 561848675 /nfs/dbraw/zinc/84/86/75/561848675.db2.gz PQRZSPMLPNRTTB-ONLUTYIHSA-N 1 1 589.737 5.140 1 0 KKAFMO CCCN(c1ncccn1)C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027431073 561859347 /nfs/dbraw/zinc/85/93/47/561859347.db2.gz FEKRAPQYYVJDCN-RFYMFKDESA-N 1 1 537.724 5.046 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)NCCOC)cn3Cc2ccccc2F)cc1 ZINC000027332181 561855236 /nfs/dbraw/zinc/85/52/36/561855236.db2.gz ICWGWZNJTJKESB-UHFFFAOYSA-N 1 1 652.771 5.140 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(N)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000027421728 561857857 /nfs/dbraw/zinc/85/78/57/561857857.db2.gz KOJMOHDUQCENEK-UHFFFAOYSA-N 1 1 573.665 6.447 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(N)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000027421728 561857858 /nfs/dbraw/zinc/85/78/58/561857858.db2.gz KOJMOHDUQCENEK-UHFFFAOYSA-N 1 1 573.665 6.447 1 0 KKAFMO O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CC1 ZINC000027521335 561864030 /nfs/dbraw/zinc/86/40/30/561864030.db2.gz YLHRMANAEDHAQX-OAQYLSRUSA-N 1 1 596.601 5.251 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526618 561866397 /nfs/dbraw/zinc/86/63/97/561866397.db2.gz HXUMKMQRTFHLCC-GDLZYMKVSA-N 1 1 577.638 7.256 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547674 561867167 /nfs/dbraw/zinc/86/71/67/561867167.db2.gz WMJYLKOESTVKAR-SSEXGKCCSA-N 1 1 539.667 6.245 1 0 KKAFMO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626696 561873218 /nfs/dbraw/zinc/87/32/18/561873218.db2.gz VWSDZLWAIZCEJG-OQBISYOISA-N 1 1 534.744 7.182 1 0 KKAFMO CN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1cc(Cc2cnc(N3CC[NH+](C)CC3)nc2)c(=O)nc1SCc1ccc(F)cc1 ZINC000027629482 561873675 /nfs/dbraw/zinc/87/36/75/561873675.db2.gz QACJRVCEGDIMHU-UHFFFAOYSA-N 1 1 698.268 5.786 1 0 KKAFMO Cc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)[nH+]c(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1 ZINC000027630210 561873704 /nfs/dbraw/zinc/87/37/04/561873704.db2.gz PVIFHDOPIPOZGE-UHFFFAOYSA-N 1 1 593.201 5.041 1 0 KKAFMO CCCCCCC(=O)O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027732360 561881415 /nfs/dbraw/zinc/88/14/15/561881415.db2.gz LNUBNNMYQZNNMH-MGBGTMOVSA-N 1 1 562.676 8.441 1 0 KKAFMO CCCCCCC(=O)O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027732360 561881417 /nfs/dbraw/zinc/88/14/17/561881417.db2.gz LNUBNNMYQZNNMH-MGBGTMOVSA-N 1 1 562.676 8.441 1 0 KKAFMO O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)OCc1ccccc1 ZINC000027988768 561892677 /nfs/dbraw/zinc/89/26/77/561892677.db2.gz HOMHZXUQJPWKGX-PUDHBBIYSA-N 1 1 604.795 6.744 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1 ZINC000027888633 561889695 /nfs/dbraw/zinc/88/96/95/561889695.db2.gz RBFKAADMUCLFRD-FTJBHMTQSA-N 1 1 605.801 5.217 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1 ZINC000027888633 561889697 /nfs/dbraw/zinc/88/96/97/561889697.db2.gz RBFKAADMUCLFRD-FTJBHMTQSA-N 1 1 605.801 5.217 1 0 KKAFMO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017196 561897609 /nfs/dbraw/zinc/89/76/09/561897609.db2.gz GXTJLZJFVRBENE-NNYJQHGCSA-N 1 1 614.728 6.656 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007098 561895761 /nfs/dbraw/zinc/89/57/61/561895761.db2.gz KXMSNVZBMZCZNF-RFUUAGDRSA-N 1 1 652.855 7.820 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C(F)(F)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007040 561895816 /nfs/dbraw/zinc/89/58/16/561895816.db2.gz VAQXLOKMXJKNKW-RTKAOUNRSA-N 1 1 576.732 6.478 1 0 KKAFMO CCn1nc(CC2CCCCC2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013116 561896643 /nfs/dbraw/zinc/89/66/43/561896643.db2.gz UQTDOHYMRIKRFP-KUYURNMDSA-N 1 1 566.806 6.559 1 0 KKAFMO N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012957 561896714 /nfs/dbraw/zinc/89/67/14/561896714.db2.gz NRXLSVZBUARMKR-LSHZFYPFSA-N 1 1 599.697 7.048 1 0 KKAFMO CCn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014184 561896975 /nfs/dbraw/zinc/89/69/75/561896975.db2.gz CAJQJFGPPJJDPS-GABYNLOESA-N 1 1 582.833 6.617 1 0 KKAFMO CCn1nc(Cc2cccc(OC)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014280 561896986 /nfs/dbraw/zinc/89/69/86/561896986.db2.gz QPGWRXNHJFZWSD-QOCRQHEPSA-N 1 1 590.784 6.036 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020378 561898414 /nfs/dbraw/zinc/89/84/14/561898414.db2.gz LDQZTCUONOGUGB-JGCGQSQUSA-N 1 1 580.747 6.212 1 0 KKAFMO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022938 561898871 /nfs/dbraw/zinc/89/88/71/561898871.db2.gz ARFHIUFTOLCGFS-XXSKFNENSA-N 1 1 686.894 6.470 1 0 KKAFMO CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086186 561899101 /nfs/dbraw/zinc/89/91/01/561899101.db2.gz AWVSZEIDIPLFFV-LEFKNYOOSA-N 1 1 644.754 6.926 1 0 KKAFMO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1 ZINC000028092235 561900114 /nfs/dbraw/zinc/90/01/14/561900114.db2.gz ZMWYPHJRULTAQZ-AHKZPQOWSA-N 1 1 530.632 5.177 1 0 KKAFMO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095088 561900682 /nfs/dbraw/zinc/90/06/82/561900682.db2.gz XLIWORCNUUZJJY-LOZBNSEJSA-N 1 1 618.838 6.816 1 0 KKAFMO COc1ccc(C[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028099298 561901300 /nfs/dbraw/zinc/90/13/00/561901300.db2.gz AVWIODSGDMQVKQ-UHFFFAOYSA-N 1 1 534.678 5.568 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028099298 561901302 /nfs/dbraw/zinc/90/13/02/561901302.db2.gz AVWIODSGDMQVKQ-UHFFFAOYSA-N 1 1 534.678 5.568 1 0 KKAFMO FC(F)(F)CC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028124804 561904772 /nfs/dbraw/zinc/90/47/72/561904772.db2.gz LMGOZBQKWJMHAG-UHFFFAOYSA-N 1 1 526.761 8.030 1 0 KKAFMO FC(F)(F)CC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000028124804 561904773 /nfs/dbraw/zinc/90/47/73/561904773.db2.gz LMGOZBQKWJMHAG-UHFFFAOYSA-N 1 1 526.761 8.030 1 0 KKAFMO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128400 561905237 /nfs/dbraw/zinc/90/52/37/561905237.db2.gz JTXBXFTVOCSXTB-IOWSJCHKSA-N 1 1 574.169 6.304 1 0 KKAFMO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136299 561906660 /nfs/dbraw/zinc/90/66/60/561906660.db2.gz QWGSMTMVLWLWGB-DNQXCXABSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136299 561906662 /nfs/dbraw/zinc/90/66/62/561906662.db2.gz QWGSMTMVLWLWGB-DNQXCXABSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136299 561906665 /nfs/dbraw/zinc/90/66/65/561906665.db2.gz QWGSMTMVLWLWGB-DNQXCXABSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028136596 561906704 /nfs/dbraw/zinc/90/67/04/561906704.db2.gz SKWFXNIWDGEMBS-DNQXCXABSA-N 1 1 591.744 6.070 1 0 KKAFMO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136790 561906806 /nfs/dbraw/zinc/90/68/06/561906806.db2.gz PVIPSFPLLZFEEP-FQLXRVMXSA-N 1 1 593.143 6.177 1 0 KKAFMO CC(=O)N[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028330473 561912709 /nfs/dbraw/zinc/91/27/09/561912709.db2.gz RGNTWXUHBNURAO-SKCUWOTOSA-N 1 1 539.507 5.216 1 0 KKAFMO [NH3+]C1CCN(C2CN(CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 ZINC000028361151 561916890 /nfs/dbraw/zinc/91/68/90/561916890.db2.gz KWPCKPAAXWLVFU-HHHXNRCGSA-N 1 1 557.557 5.177 1 0 KKAFMO C[C@H]1CCC[N@@H+](CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028383258 561920579 /nfs/dbraw/zinc/92/05/79/561920579.db2.gz JAYXLGPKVKAOEV-INIZCTEOSA-N 1 1 553.046 6.746 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028384423 561920772 /nfs/dbraw/zinc/92/07/72/561920772.db2.gz UEYNPXHRIVDTQZ-PSXMRANNSA-N 1 1 659.787 5.586 1 0 KKAFMO CN(C)CCC[N@@H+](C)CCC(=O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028388570 561921686 /nfs/dbraw/zinc/92/16/86/561921686.db2.gz ZQTZXIFUPWWHDG-UHFFFAOYSA-N 1 1 556.050 5.508 1 0 KKAFMO CN(CCC[NH+](C)C)CCC(=O)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O ZINC000028388570 561921687 /nfs/dbraw/zinc/92/16/87/561921687.db2.gz ZQTZXIFUPWWHDG-UHFFFAOYSA-N 1 1 556.050 5.508 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4I)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028455287 561923407 /nfs/dbraw/zinc/92/34/07/561923407.db2.gz MCXZGWCFYZYQIW-JGCGQSQUSA-N 1 1 735.623 5.037 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471852 561927137 /nfs/dbraw/zinc/92/71/37/561927137.db2.gz YCGKTGCKPZIUKH-QFIPXVFZSA-N 1 1 525.524 5.691 1 0 KKAFMO C[C@]12CC[C@@H](NC(=O)c3cc4ccccc4s3)C[C@@]1(c1cccc(O)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000028529220 561933862 /nfs/dbraw/zinc/93/38/62/561933862.db2.gz MWJUMFLAZVGIOY-RCFSOVDESA-N 1 1 538.757 7.172 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000028604116 561940546 /nfs/dbraw/zinc/94/05/46/561940546.db2.gz KWZAQGRWAMWUDN-XBXARRHUSA-N 1 1 544.310 6.060 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646115 561944801 /nfs/dbraw/zinc/94/48/01/561944801.db2.gz ZPBDIJQSZTYFIY-XIFFEERXSA-N 1 1 516.749 5.688 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646231 561944979 /nfs/dbraw/zinc/94/49/79/561944979.db2.gz IHHDHTXBALMXOF-WJOKGBTCSA-N 1 1 538.702 5.788 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC[C@@]12C=Cc1ccccc12 ZINC000028702687 561947170 /nfs/dbraw/zinc/94/71/70/561947170.db2.gz RWMKRGFJHUIINF-YOMAFEOISA-N 1 1 608.652 6.860 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702912 561947449 /nfs/dbraw/zinc/94/74/49/561947449.db2.gz QWNVTHCYECOXOH-CCNQEERUSA-N 1 1 713.748 7.925 1 0 KKAFMO CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704012 561948097 /nfs/dbraw/zinc/94/80/97/561948097.db2.gz IMMJZWRYKWNOHX-UDJVMPNMSA-N 1 1 578.641 7.986 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704021 561948136 /nfs/dbraw/zinc/94/81/36/561948136.db2.gz NYVVWKWXURQMLL-PSVFVGLHSA-N 1 1 604.679 8.376 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704042 561948144 /nfs/dbraw/zinc/94/81/44/561948144.db2.gz PVVAQUKXSCGSNX-GIBFWTLOSA-N 1 1 576.625 7.596 1 0 KKAFMO CCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704066 561948250 /nfs/dbraw/zinc/94/82/50/561948250.db2.gz QVUCDCFWXARAJF-XZAQUTNZSA-N 1 1 528.634 7.106 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712503 561953052 /nfs/dbraw/zinc/95/30/52/561953052.db2.gz RWYXCRGPSKEBSD-UHFFFAOYSA-N 1 1 523.710 5.241 1 0 KKAFMO CN1CCC([N@@H+](C)C2CCN(C(=O)OC[C@H]3CCC[C@@H](Cc4ccccc4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028816488 561964260 /nfs/dbraw/zinc/96/42/60/561964260.db2.gz XFFPXCKCDGMNFE-XZWHSSHBSA-N 1 1 617.256 5.122 1 0 KKAFMO NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CN(CCCCCC[NH3+])CCc1ccc(Cl)cc1Cl ZINC000028824976 561970207 /nfs/dbraw/zinc/97/02/07/561970207.db2.gz UXALQPRPQYILAB-UHFFFAOYSA-N 1 1 576.396 5.220 1 0 KKAFMO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000028822226 561966880 /nfs/dbraw/zinc/96/68/80/561966880.db2.gz KCZAWXOJQPFPIN-KRWDZBQOSA-N 1 1 513.017 5.078 1 0 KKAFMO COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000028822227 561966884 /nfs/dbraw/zinc/96/68/84/561966884.db2.gz KCZAWXOJQPFPIN-QGZVFWFLSA-N 1 1 513.017 5.078 1 0 KKAFMO O=C(CCCN1c2ccccc2[C@@H]2C[C@@H]3C[N@H+](CCCC(=O)c4ccc(F)cc4)CCN3C[C@H]21)c1ccc(F)cc1 ZINC000028872180 561974330 /nfs/dbraw/zinc/97/43/30/561974330.db2.gz TXPXVUNBDQGBPQ-DQQHMPIDSA-N 1 1 557.685 5.953 1 0 KKAFMO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@H+](C5CC5)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889673 561978007 /nfs/dbraw/zinc/97/80/07/561978007.db2.gz KBPLHOJDAIGXOI-ZTOMLWHTSA-N 1 1 575.128 6.450 1 0 KKAFMO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C)C[C@@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889648 561978067 /nfs/dbraw/zinc/97/80/67/561978067.db2.gz MZINAXOPBUWVQD-IDISGSTGSA-N 1 1 549.090 5.918 1 0 KKAFMO O=C(c1cc2c3ccccc3n(C[C@@H]3CC[NH2+]C[C@@H]3F)c2c(Oc2ccc(Cl)cc2)c1)N1CCc2nc[nH]c2C1 ZINC000028889707 561978199 /nfs/dbraw/zinc/97/81/99/561978199.db2.gz SSTGGHOOVOEJRC-DFBJGRDBSA-N 1 1 558.057 6.109 1 0 KKAFMO CC(=O)Nc1ccc(-n2c(=O)c(C[N@@H+](CCc3ccc(Cl)cc3)C3CCN(C(=O)c4c(F)cccc4F)CC3)c(C)n2C)cc1 ZINC000028897789 561979368 /nfs/dbraw/zinc/97/93/68/561979368.db2.gz ZDLRYSGGDYFSSN-UHFFFAOYSA-N 1 1 636.143 5.724 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(N(C)C)cc2)n1C ZINC000028897793 561979400 /nfs/dbraw/zinc/97/94/00/561979400.db2.gz FIFOMEQBDSUNLG-UHFFFAOYSA-N 1 1 622.160 5.832 1 0 KKAFMO CC(C)[N@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@H](O)c1ccccc1 ZINC000028901355 561979864 /nfs/dbraw/zinc/97/98/64/561979864.db2.gz VZWZQSHHQNIRAG-VWLOTQADSA-N 1 1 524.086 5.127 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975167 561986445 /nfs/dbraw/zinc/98/64/45/561986445.db2.gz RJECZNRGVJPLSQ-JBRSBNLGSA-N 1 1 587.762 5.495 1 0 KKAFMO NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037196 561988399 /nfs/dbraw/zinc/98/83/99/561988399.db2.gz MKCRPVFQAIQPQA-UHFFFAOYSA-N 1 1 567.657 5.017 1 0 KKAFMO NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1 ZINC000029037196 561988401 /nfs/dbraw/zinc/98/84/01/561988401.db2.gz MKCRPVFQAIQPQA-UHFFFAOYSA-N 1 1 567.657 5.017 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(SC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048398 561993471 /nfs/dbraw/zinc/99/34/71/561993471.db2.gz VXZHXKSQMMJRQM-VEEOACQBSA-N 1 1 571.146 7.083 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049359 561993988 /nfs/dbraw/zinc/99/39/88/561993988.db2.gz UMQRZRZFTLDGQG-CQTOTRCISA-N 1 1 567.133 7.484 1 0 KKAFMO Cc1cc(-c2nc3cc4c(cc3o2)CC[N@@H+](CCCSc2nnc(-c3cccc5nc(C)ccc53)n2C)CC4)n(C)n1 ZINC000029126806 561998926 /nfs/dbraw/zinc/99/89/26/561998926.db2.gz XBWBWCMBNYVAKR-UHFFFAOYSA-N 1 1 578.746 5.772 1 0 KKAFMO CN(C)c1ccc([C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029126867 561999124 /nfs/dbraw/zinc/99/91/24/561999124.db2.gz OXZWFXSQRGRPHT-BJPYECMBSA-N 1 1 518.661 5.089 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(C)(F)F)oc5cc4CC3)n2C)n1 ZINC000029126994 561999228 /nfs/dbraw/zinc/99/92/28/561999228.db2.gz MMAVGOXTOMTHGO-UHFFFAOYSA-N 1 1 548.663 6.175 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126960 561999244 /nfs/dbraw/zinc/99/92/44/561999244.db2.gz RCVHDPWYXTVRFR-POZRDHEVSA-N 1 1 554.488 5.786 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2CCc3ccc4oc(C(F)(F)C(F)(F)F)nc4c3CC2)n1C ZINC000029127147 561999493 /nfs/dbraw/zinc/99/94/93/561999493.db2.gz VCJRZGBNXMAJCB-UHFFFAOYSA-N 1 1 542.534 5.157 1 0 KKAFMO Cc1nc2ccc3c(c2s1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127483 561999899 /nfs/dbraw/zinc/99/98/99/561999899.db2.gz JOZMHQIYXRYITJ-UHFFFAOYSA-N 1 1 514.724 5.840 1 0 KKAFMO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@@H]2CCC[N@H+]2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029129944 562002147 /nfs/dbraw/zinc/00/21/47/562002147.db2.gz DHCDUDRKAXLPJS-KCWPFWIISA-N 1 1 608.680 7.322 1 0 KKAFMO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130397 562002508 /nfs/dbraw/zinc/00/25/08/562002508.db2.gz VGQVERFTHHEIEQ-IUDBTDONSA-N 1 1 528.718 5.494 1 0 KKAFMO COc1cc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc(OC)c1OC ZINC000029222020 562007326 /nfs/dbraw/zinc/00/73/26/562007326.db2.gz PAWNYERCACRCDG-UHFFFAOYSA-N 1 1 581.731 6.358 1 0 KKAFMO C[N@@H+](C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347138 562016450 /nfs/dbraw/zinc/01/64/50/562016450.db2.gz AQSULLWEJRPAKF-HPBKRHAESA-N 1 1 697.965 6.187 1 0 KKAFMO CCOC(=O)C1=C(COCC[N@@H+](C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl ZINC000029405647 562020601 /nfs/dbraw/zinc/02/06/01/562020601.db2.gz ZZNMZUHUNNQAKO-HGKLSIKASA-N 1 1 513.034 5.280 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccc(Cl)c(C(F)(F)F)c1 ZINC000029398197 562019117 /nfs/dbraw/zinc/01/91/17/562019117.db2.gz RVRYIJWDYWFVKA-YIXXDRMTSA-N 1 1 681.992 5.153 1 0 KKAFMO CC[N@H+](CCc1ccccn1)Cc1c(C(C)(C)C)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029473792 562026024 /nfs/dbraw/zinc/02/60/24/562026024.db2.gz WRCABJFYVZZYRP-UHFFFAOYSA-N 1 1 581.736 6.425 1 0 KKAFMO CC[N@@H+](CCc1ccccn1)Cc1c(C(C)(C)C)nc2n1c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029473792 562026025 /nfs/dbraw/zinc/02/60/25/562026025.db2.gz WRCABJFYVZZYRP-UHFFFAOYSA-N 1 1 581.736 6.425 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Cl)c(Cl)c4)nc3n2)CC1 ZINC000029553899 562031708 /nfs/dbraw/zinc/03/17/08/562031708.db2.gz NGLCMTJPGDJNOW-UHFFFAOYSA-N 1 1 634.399 6.999 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(C)Sc3ccccc3N(C)C2=O)c1 ZINC000029556403 562032232 /nfs/dbraw/zinc/03/22/32/562032232.db2.gz MMLGLMNYHUOLBO-PMERELPUSA-N 1 1 550.677 5.188 1 0 KKAFMO Cc1c2c(c(C)c(O)c1C)[C@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029560322 562032914 /nfs/dbraw/zinc/03/29/14/562032914.db2.gz FKTJGLWQLNELFW-RFBVRTEBSA-N 1 1 522.667 5.439 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cn4ccccc4n3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817891 562037525 /nfs/dbraw/zinc/03/75/25/562037525.db2.gz ULFPSOIGAFYNHK-DKRHUIDYSA-N 1 1 504.650 5.012 1 0 KKAFMO COc1ccc(OC[C@H]2Cc3c(c4c(nc3-c3ccccc3)CC[N@@H+](CCOc3ccccc3)C4)CO2)cc1 ZINC000034148381 562038310 /nfs/dbraw/zinc/03/83/10/562038310.db2.gz RFICEULJUUXYDG-MUUNZHRXSA-N 1 1 522.645 5.715 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccc3ccccc3c1)c2NC(C)(C)CC(C)(C)C ZINC000034721330 562040407 /nfs/dbraw/zinc/04/04/07/562040407.db2.gz QYPCBFHVFIHYJU-UHFFFAOYSA-N 1 1 505.662 8.309 1 0 KKAFMO O=S(=O)(CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C(F)(F)F)c4)c3c2)o1)c1ccccn1 ZINC000034800123 562040845 /nfs/dbraw/zinc/04/08/45/562040845.db2.gz NXQXZOZVAHCESP-UHFFFAOYSA-N 1 1 677.680 7.329 1 0 KKAFMO CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000034800107 562040894 /nfs/dbraw/zinc/04/08/94/562040894.db2.gz IRPQLCLTIKGBTQ-UHFFFAOYSA-N 1 1 609.123 6.918 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804121 562042925 /nfs/dbraw/zinc/04/29/25/562042925.db2.gz UIHDKMQRDLGFQA-VGSWGCGISA-N 1 1 501.515 5.546 1 0 KKAFMO C[C@@H]1CCCCN1CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804121 562042927 /nfs/dbraw/zinc/04/29/27/562042927.db2.gz UIHDKMQRDLGFQA-VGSWGCGISA-N 1 1 501.515 5.546 1 0 KKAFMO CC1CCN(CC[NH2+][C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000034804179 562042954 /nfs/dbraw/zinc/04/29/54/562042954.db2.gz LMXHEPMINMFJIS-QFIPXVFZSA-N 1 1 501.515 5.403 1 0 KKAFMO COc1cccc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CC[NH+](C)CC3)c3cc(Cl)ccc32)c1 ZINC000036089432 562046934 /nfs/dbraw/zinc/04/69/34/562046934.db2.gz RVACPGPYDAFYTB-UHFFFAOYSA-N 1 1 510.425 5.124 1 0 KKAFMO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000036184587 562050295 /nfs/dbraw/zinc/05/02/95/562050295.db2.gz FFQBAPRTDPSSEL-HVHHDALESA-N 1 1 575.556 5.485 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331616 562056716 /nfs/dbraw/zinc/05/67/16/562056716.db2.gz KRIBGAKMALWAFC-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331616 562056717 /nfs/dbraw/zinc/05/67/17/562056717.db2.gz KRIBGAKMALWAFC-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3cccc(OC)c3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331646 562056720 /nfs/dbraw/zinc/05/67/20/562056720.db2.gz XWWMPQGGRACXKP-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3cccc(OC)c3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331646 562056722 /nfs/dbraw/zinc/05/67/22/562056722.db2.gz XWWMPQGGRACXKP-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)c1)c1ccccc1 ZINC000036338418 562057028 /nfs/dbraw/zinc/05/70/28/562057028.db2.gz SDHHOFBLTRTNNH-AHWVRZQESA-N 1 1 516.605 5.248 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)c1)c1ccc(F)cc1 ZINC000036338405 562057034 /nfs/dbraw/zinc/05/70/34/562057034.db2.gz CAQXAJWFVJDJDE-OZXSUGGESA-N 1 1 534.595 5.387 1 0 KKAFMO CN(C(=O)c1c[nH]c(-c2ccc(C(F)(F)F)cc2)n1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351491 562058469 /nfs/dbraw/zinc/05/84/69/562058469.db2.gz QWGSMTMVLWLWGB-ZEQRLZLVSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351491 562058471 /nfs/dbraw/zinc/05/84/71/562058471.db2.gz QWGSMTMVLWLWGB-ZEQRLZLVSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000036351491 562058472 /nfs/dbraw/zinc/05/84/72/562058472.db2.gz QWGSMTMVLWLWGB-ZEQRLZLVSA-N 1 1 574.692 5.337 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCCC3)C2)C1 ZINC000036351588 562058676 /nfs/dbraw/zinc/05/86/76/562058676.db2.gz PJQXCBUXJURXMB-WDYNHAJCSA-N 1 1 570.700 6.225 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC3)C2)C1 ZINC000036351601 562058731 /nfs/dbraw/zinc/05/87/31/562058731.db2.gz YRPXNFLASWIRDT-FTJBHMTQSA-N 1 1 528.619 5.055 1 0 KKAFMO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000036352002 562059520 /nfs/dbraw/zinc/05/95/20/562059520.db2.gz WCKZXUZPEYGEII-LEWJYISDSA-N 1 1 525.524 6.209 1 0 KKAFMO C[C@H]1C[N@@H+](CCOc2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147754 562065644 /nfs/dbraw/zinc/06/56/44/562065644.db2.gz YVUQYAODMCZCJN-IAMOZKFWSA-N 1 1 512.694 5.676 1 0 KKAFMO CC(C)CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150644 562066451 /nfs/dbraw/zinc/06/64/51/562066451.db2.gz GBYYUEIXEOYDDW-RRPNLBNLSA-N 1 1 522.686 5.175 1 0 KKAFMO COCCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040394134 562074103 /nfs/dbraw/zinc/07/41/03/562074103.db2.gz XBLICIQHPJUYCZ-SMCANUKXSA-N 1 1 516.085 5.316 1 0 KKAFMO COC[C@@H]1CCC[N@H+](C2CCN(c3nc4cc(OC)c(OC)cc4c(Nc4ccc(Cl)cc4)n3)CC2)C1 ZINC000040424251 562076388 /nfs/dbraw/zinc/07/63/88/562076388.db2.gz IUJUWXIRDRYWGN-LJQANCHMSA-N 1 1 526.081 5.371 1 0 KKAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430780 562076860 /nfs/dbraw/zinc/07/68/60/562076860.db2.gz WOMWTCFFKLQKJG-OAQYLSRUSA-N 1 1 512.054 5.124 1 0 KKAFMO c1ccc(COc2cccc3c2n[nH]c3-c2nc3ccc(N4CCC([NH+]5CCCCC5)CC4)cc3[nH]2)cc1 ZINC000040762852 562079430 /nfs/dbraw/zinc/07/94/30/562079430.db2.gz UIKVMQIVWDEOSV-UHFFFAOYSA-N 1 1 506.654 6.140 1 0 KKAFMO NC(=O)c1ccc(C2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@@H+]3C(c2ccccc2Cl)c2ccccc2Cl)cc1 ZINC000040877728 562082303 /nfs/dbraw/zinc/08/23/03/562082303.db2.gz ZPKYWTWGQSMCDF-GJOKYCCCSA-N 1 1 508.449 5.232 1 0 KKAFMO COC(=O)[C@@](CCC[N@@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040881101 562082587 /nfs/dbraw/zinc/08/25/87/562082587.db2.gz PPUATJSILURJNL-MUUNZHRXSA-N 1 1 528.535 6.354 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951821 562086139 /nfs/dbraw/zinc/08/61/39/562086139.db2.gz KIMKESVEZODZRF-LADGPHEKSA-N 1 1 526.690 6.012 1 0 KKAFMO O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@H+](CC1CCC1)CC3)c1ccc(-c2ccccc2)cc1 ZINC000040974507 562087049 /nfs/dbraw/zinc/08/70/49/562087049.db2.gz YDCPNEXWIXJQQB-PNIVXLCQSA-N 1 1 507.674 6.546 1 0 KKAFMO CC(=O)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975802 562087148 /nfs/dbraw/zinc/08/71/48/562087148.db2.gz BOLNQVYXWUWJJK-PMERELPUSA-N 1 1 507.625 5.805 1 0 KKAFMO CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccc(N)nc7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000042803376 562088194 /nfs/dbraw/zinc/08/81/94/562088194.db2.gz DBNJNPPSWNADBP-UHFFFAOYSA-N 1 1 637.796 5.253 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[NH2+]CC2)N(C)CC4 ZINC000085834880 560066730 /nfs/dbraw/zinc/06/67/30/560066730.db2.gz FFMSDFHGOKKUKH-IZLXSDGUSA-N 1 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMO COc1cc(CC[C@H](C[C@H](CC2CCCCC2)OC(C)=O)OC(C)=O)cc(Cc2cc[nH+]c(N)c2)c1O ZINC000085629476 560068375 /nfs/dbraw/zinc/06/83/75/560068375.db2.gz AZJUJPSQARYOHZ-FTJBHMTQSA-N 1 1 512.647 5.125 1 0 biogenic,in-vitro KKAFMO CNC[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 560072396 /nfs/dbraw/zinc/07/23/96/560072396.db2.gz HBCBJJDCXQWKJR-JSZSNDOQSA-N 1 1 578.882 5.605 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532588 560072574 /nfs/dbraw/zinc/07/25/74/560072574.db2.gz ORDDGGLGLOHOAM-DSYZKSCBSA-N 1 1 525.730 6.360 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCC(C)C)[C@H]2[C@@H]1C ZINC000085532482 560072623 /nfs/dbraw/zinc/07/26/23/560072623.db2.gz HBJUWRKDFKXKQF-DHUYFIOBSA-N 1 1 547.736 6.295 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCC3)C[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532323 560073014 /nfs/dbraw/zinc/07/30/14/560073014.db2.gz BPMOQJZNQVBZRS-YWNAONHFSA-N 1 1 579.778 5.745 1 0 biogenic,in-vitro KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@H]4O)CC[C@@H]12 ZINC000085531073 560073237 /nfs/dbraw/zinc/07/32/37/560073237.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 1 1 526.743 5.943 1 0 biogenic,in-vitro KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H](O)[C@@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@H]4O)CC[C@@H]12 ZINC000085531073 560073239 /nfs/dbraw/zinc/07/32/39/560073239.db2.gz DYEOLAMWQVWASS-MTTFJDMYSA-N 1 1 526.743 5.943 1 0 biogenic,in-vitro KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(C(=O)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000043064712 562645301 /nfs/dbraw/zinc/64/53/01/562645301.db2.gz HDQFNHSOFOYPKZ-HKBQPEDESA-N 1 1 644.882 5.331 1 0 KKAFMO CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]c(C)n1 ZINC000043073339 562645622 /nfs/dbraw/zinc/64/56/22/562645622.db2.gz REEBEXNBKISNAZ-GAJHUEQPSA-N 1 1 501.900 7.240 1 0 KKAFMO Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(N2CCCCC2)[nH+]1 ZINC000043121636 562646165 /nfs/dbraw/zinc/64/61/65/562646165.db2.gz QJXBLXXUHUHCPI-MHECFPHRSA-N 1 1 513.911 7.018 1 0 KKAFMO CSc1nc(N2CCCCC2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043122687 562646191 /nfs/dbraw/zinc/64/61/91/562646191.db2.gz NXFZZRDMTZDMRZ-FDDCHVKYSA-N 1 1 545.978 7.432 1 0 KKAFMO CSc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(N2CCCCC2)[nH+]1 ZINC000043122687 562646192 /nfs/dbraw/zinc/64/61/92/562646192.db2.gz NXFZZRDMTZDMRZ-FDDCHVKYSA-N 1 1 545.978 7.432 1 0 KKAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170091 562646503 /nfs/dbraw/zinc/64/65/03/562646503.db2.gz ZVFXNLFEOUJYLZ-BHVANESWSA-N 1 1 633.728 5.262 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043450355 562648544 /nfs/dbraw/zinc/64/85/44/562648544.db2.gz BGOXVMFCSBFTSC-BVAGGSTKSA-N 1 1 584.602 6.267 1 0 KKAFMO O=C1c2ccccc2S[C@@H](c2c(Cl)cccc2Cl)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000043543943 562649519 /nfs/dbraw/zinc/64/95/19/562649519.db2.gz JHISYBKNOYPOMQ-SANMLTNESA-N 1 1 528.892 7.944 1 0 KKAFMO CCN(CC)C(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CC[NH+]2CCN(C)CC2)c1 ZINC000043649332 562650614 /nfs/dbraw/zinc/65/06/14/562650614.db2.gz GWNMKDSFGVSLFZ-UHFFFAOYSA-N 1 1 618.642 5.154 1 0 KKAFMO O=C(CCc1ccccc1)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044281233 562653024 /nfs/dbraw/zinc/65/30/24/562653024.db2.gz HMGVPHBFARTUCU-BHVANESWSA-N 1 1 597.750 7.418 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)N(C)CC2 ZINC000044306527 562653756 /nfs/dbraw/zinc/65/37/56/562653756.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 1 1 624.778 6.762 1 0 KKAFMO COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)N(C)CC2 ZINC000044306527 562653757 /nfs/dbraw/zinc/65/37/57/562653757.db2.gz SRSSHSQCHFGYCO-ACHIHNKUSA-N 1 1 624.778 6.762 1 0 KKAFMO C[NH+]1CCN(Cc2nc3cc(-c4ncccc4C(F)(F)F)ccc3c(Nc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000044359546 562655499 /nfs/dbraw/zinc/65/54/99/562655499.db2.gz MVRHNHQQIFTMRV-UHFFFAOYSA-N 1 1 546.519 6.220 1 0 KKAFMO COc1cc(NC(=O)c2cnc3ccccc3c2)cc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)c1 ZINC000044359846 562655521 /nfs/dbraw/zinc/65/55/21/562655521.db2.gz IDFFNTINIUWLMJ-UHFFFAOYSA-N 1 1 616.718 6.366 1 0 KKAFMO CCn1nc(C(C)(C)c2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000044404475 562656429 /nfs/dbraw/zinc/65/64/29/562656429.db2.gz CLJHZAHZVGMFKS-JNYUFQCESA-N 1 1 596.860 7.157 1 0 KKAFMO Cc1cc(C2CC[NH+](CCCF)CC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)[nH]c21 ZINC000044406305 562656877 /nfs/dbraw/zinc/65/68/77/562656877.db2.gz WTQDFMWCMKSXGH-RUZDIDTESA-N 1 1 538.067 5.565 1 0 KKAFMO COc1ccc([C@H](O)CNc2cc[nH]c(=O)c2-c2nc3cc(C4CC[NH+](CCCF)CC4)cc(C)c3[nH]2)cc1Cl ZINC000044406443 562656883 /nfs/dbraw/zinc/65/68/83/562656883.db2.gz VSPZMUAUSBZZJK-RUZDIDTESA-N 1 1 568.093 5.573 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000045167083 562657959 /nfs/dbraw/zinc/65/79/59/562657959.db2.gz UZBISDZKADNRKD-QHCPKHFHSA-N 1 1 523.621 5.281 1 0 KKAFMO COc1ccc(Cc2cccc([C@@H](C(=O)NCc3cc(Cl)cc(Cl)c3)N3CC[NH+](C)CC3)c2)cc1 ZINC000045168657 562658153 /nfs/dbraw/zinc/65/81/53/562658153.db2.gz DZOTZJJKRBESPV-MHZLTWQESA-N 1 1 512.481 5.198 1 0 KKAFMO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045187032 562658199 /nfs/dbraw/zinc/65/81/99/562658199.db2.gz PSPKZRFMQFPGCB-UHFFFAOYSA-N 1 1 510.081 6.967 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045187032 562658200 /nfs/dbraw/zinc/65/82/00/562658200.db2.gz PSPKZRFMQFPGCB-UHFFFAOYSA-N 1 1 510.081 6.967 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045187032 562658201 /nfs/dbraw/zinc/65/82/01/562658201.db2.gz PSPKZRFMQFPGCB-UHFFFAOYSA-N 1 1 510.081 6.967 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000045190118 562658473 /nfs/dbraw/zinc/65/84/73/562658473.db2.gz CBLNDHFSGGQIGI-RTWARMFFSA-N 1 1 528.524 5.835 1 0 KKAFMO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)c1 ZINC000045192800 562658693 /nfs/dbraw/zinc/65/86/93/562658693.db2.gz FEOBIJHRWMNECI-UHFFFAOYSA-N 1 1 521.564 7.054 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000045201313 562659038 /nfs/dbraw/zinc/65/90/38/562659038.db2.gz RDLPDGDMIDFGGN-PKNBQFBNSA-N 1 1 521.464 5.672 1 0 KKAFMO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000045230001 562659580 /nfs/dbraw/zinc/65/95/80/562659580.db2.gz QMRWYQTUIAOSHP-UHFFFAOYSA-N 1 1 515.535 6.992 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)c1 ZINC000045229297 562659600 /nfs/dbraw/zinc/65/96/00/562659600.db2.gz RIGIOOLHUXCEJQ-UHFFFAOYSA-N 1 1 502.593 7.598 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1 ZINC000045317801 562660897 /nfs/dbraw/zinc/66/08/97/562660897.db2.gz IPZCFDBKNITPHO-UHFFFAOYSA-N 1 1 518.543 5.169 1 0 KKAFMO Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000045320769 562660981 /nfs/dbraw/zinc/66/09/81/562660981.db2.gz PNNFYEIGLOSBJS-UHFFFAOYSA-N 1 1 518.662 5.202 1 0 KKAFMO CC1(C)Cc2c3ccccc3[nH]c2C(CCCCCCCCC2=[NH+]C(C)(C)Cc3c4ccccc4[nH]c32)=N1 ZINC000045324866 562661192 /nfs/dbraw/zinc/66/11/92/562661192.db2.gz ADZOVURIRJCTJE-UHFFFAOYSA-N 1 1 506.738 8.718 1 0 KKAFMO COc1cc(OC)cc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000045364018 562661994 /nfs/dbraw/zinc/66/19/94/562661994.db2.gz VVFQMEOQOLMGFJ-UHFFFAOYSA-N 1 1 515.654 7.173 1 0 KKAFMO CCCCOc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045373006 562662304 /nfs/dbraw/zinc/66/23/04/562662304.db2.gz QZROHCUEXXDLLF-UHFFFAOYSA-N 1 1 527.709 8.335 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000048307279 562662906 /nfs/dbraw/zinc/66/29/06/562662906.db2.gz YULHSCHRHAVYAX-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000048307279 562662907 /nfs/dbraw/zinc/66/29/07/562662907.db2.gz YULHSCHRHAVYAX-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000048307279 562662908 /nfs/dbraw/zinc/66/29/08/562662908.db2.gz YULHSCHRHAVYAX-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+]4CCC[C@@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051644 562663753 /nfs/dbraw/zinc/66/37/53/562663753.db2.gz SOBWJJMARWEHLE-OAQYLSRUSA-N 1 1 500.996 6.930 1 0 KKAFMO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1 ZINC000049052293 562663831 /nfs/dbraw/zinc/66/38/31/562663831.db2.gz QQGJOZLAJLPARG-UHFFFAOYSA-N 1 1 513.513 6.122 1 0 KKAFMO C[NH2+][C@@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049087534 562664335 /nfs/dbraw/zinc/66/43/35/562664335.db2.gz LTOXVPHAHSNJRZ-LJAQVGFWSA-N 1 1 517.460 6.066 1 0 KKAFMO CN1CC[NH+](CCc2ccc3nc(-c4csc(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049605233 562665577 /nfs/dbraw/zinc/66/55/77/562665577.db2.gz LYMOKEWQKIEWRP-UHFFFAOYSA-N 1 1 558.151 6.300 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605278 562665637 /nfs/dbraw/zinc/66/56/37/562665637.db2.gz PZOWECREPCMKDZ-VZUCSPMQSA-N 1 1 557.444 6.162 1 0 KKAFMO CCOc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000049605303 562665687 /nfs/dbraw/zinc/66/56/87/562665687.db2.gz LMTNQCKBZCTTJG-UHFFFAOYSA-N 1 1 570.496 6.017 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049605348 562665719 /nfs/dbraw/zinc/66/57/19/562665719.db2.gz JUJINSDVRLQLTO-PKNBQFBNSA-N 1 1 571.471 6.552 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000049605406 562665844 /nfs/dbraw/zinc/66/58/44/562665844.db2.gz NGPQLLIDARIUAG-YRNVUSSQSA-N 1 1 553.481 6.201 1 0 KKAFMO C[C@H](CNC(=[NH2+])c1cccc(C(=N)NC[C@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000049605462 562665888 /nfs/dbraw/zinc/66/58/88/562665888.db2.gz ZDBRQEJTXFFMQB-MKPDMIMOSA-N 1 1 595.832 7.942 1 0 KKAFMO C[C@H](CNC(=N)c1cccc(C(=[NH2+])NC[C@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000049605462 562665889 /nfs/dbraw/zinc/66/58/89/562665889.db2.gz ZDBRQEJTXFFMQB-MKPDMIMOSA-N 1 1 595.832 7.942 1 0 KKAFMO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605792 562666373 /nfs/dbraw/zinc/66/63/73/562666373.db2.gz NLPYUOOSZXDDEC-XUVXKRRUSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049625441 562666796 /nfs/dbraw/zinc/66/67/96/562666796.db2.gz UOYHHUKUSBEJQM-BHDDXSALSA-N 1 1 537.919 5.933 1 0 KKAFMO O=C(NCCCN(Cc1ccc(F)cc1)c1ccccn1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049626126 562666999 /nfs/dbraw/zinc/66/69/99/562666999.db2.gz VUVGCMQHDHNXBM-RWYGWLOXSA-N 1 1 667.829 7.628 1 0 KKAFMO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@@H](c4cc5ccccc5o4)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626056 562667002 /nfs/dbraw/zinc/66/70/02/562667002.db2.gz QYTSWYPEPUQVCC-ZGAWMTGXSA-N 1 1 632.805 6.300 1 0 KKAFMO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NC(=O)[C@H](c4cc5ccccc5o4)N4CCC(Cc5ccccc5)CC4)CC3)c2c1 ZINC000049626062 562667028 /nfs/dbraw/zinc/66/70/28/562667028.db2.gz QYTSWYPEPUQVCC-LFGICVIVSA-N 1 1 632.805 6.300 1 0 KKAFMO C[N@@H+]1CCC[C@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667080 /nfs/dbraw/zinc/66/70/80/562667080.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 1 1 547.669 6.375 1 0 KKAFMO C[N@H+]1CCC[C@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626220 562667081 /nfs/dbraw/zinc/66/70/81/562667081.db2.gz SYRWXCDJEJSVBQ-DEOSSOPVSA-N 1 1 547.669 6.375 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049626354 562667151 /nfs/dbraw/zinc/66/71/51/562667151.db2.gz XACYZNUBDRDHNM-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049626354 562667150 /nfs/dbraw/zinc/66/71/50/562667150.db2.gz XACYZNUBDRDHNM-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049626354 562667152 /nfs/dbraw/zinc/66/71/52/562667152.db2.gz XACYZNUBDRDHNM-FTJBHMTQSA-N 1 1 548.609 5.977 1 0 KKAFMO CCOC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049626654 562667283 /nfs/dbraw/zinc/66/72/83/562667283.db2.gz UGNIWKNDOCCEKX-ZFLSFVSKSA-N 1 1 561.510 5.366 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049627081 562667499 /nfs/dbraw/zinc/66/74/99/562667499.db2.gz YRHOQADJUCJNBD-SOFGYWHQSA-N 1 1 539.454 5.811 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000049627084 562667515 /nfs/dbraw/zinc/66/75/15/562667515.db2.gz ZWYSFQFCKATTPO-WUXMJOGZSA-N 1 1 553.987 6.351 1 0 KKAFMO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000049639217 562667712 /nfs/dbraw/zinc/66/77/12/562667712.db2.gz RQFYVNYMMZIFPY-VGOFMYFVSA-N 1 1 537.026 5.898 1 0 KKAFMO CCN1CCN(c2nc3cc(C)ccc3c(NCc3ccc(NC(=O)C4CC[NH+](Cc5ccccc5)CC4)cc3)n2)CC1 ZINC000049694529 562669444 /nfs/dbraw/zinc/66/94/44/562669444.db2.gz ROCQMJAHJBLYBH-UHFFFAOYSA-N 1 1 577.777 5.543 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000049694836 562669877 /nfs/dbraw/zinc/66/98/77/562669877.db2.gz UPMQYWQRMYEQLV-UKJJDJLKSA-N 1 1 582.712 6.188 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000049694836 562669878 /nfs/dbraw/zinc/66/98/78/562669878.db2.gz UPMQYWQRMYEQLV-UKJJDJLKSA-N 1 1 582.712 6.188 1 0 KKAFMO Cc1ccc(C(OC[C@@H](O)CN2CCC[N@@H+](C[C@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049695301 562670396 /nfs/dbraw/zinc/67/03/96/562670396.db2.gz XQCPRRIYLNZGGI-YDAXCOIMSA-N 1 1 636.877 6.562 1 0 KKAFMO COc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049710204 562671584 /nfs/dbraw/zinc/67/15/84/562671584.db2.gz UEEWFTFRIVRZLS-SNMYMPMCSA-N 1 1 577.553 5.844 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@@](CC[N@H+]3CCC[C@H]3C(=O)Nc3ccccc3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049710529 562671734 /nfs/dbraw/zinc/67/17/34/562671734.db2.gz NNCRUKJWFHRUPQ-VCTRWQRLSA-N 1 1 642.580 5.880 1 0 KKAFMO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(cc1OCc1ccccc1)CC[N@H+](CC1CC1)CC2 ZINC000049722677 562672392 /nfs/dbraw/zinc/67/23/92/562672392.db2.gz CENPNTJTGPBFSK-UHFFFAOYSA-N 1 1 588.169 7.141 1 0 KKAFMO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(cc1OCc1ccccc1)CC[N@@H+](CC1CC1)CC2 ZINC000049722677 562672393 /nfs/dbraw/zinc/67/23/93/562672393.db2.gz CENPNTJTGPBFSK-UHFFFAOYSA-N 1 1 588.169 7.141 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)cc3)nc2c1 ZINC000049746426 562674440 /nfs/dbraw/zinc/67/44/40/562674440.db2.gz COATYEQUOQJHLY-UHFFFAOYSA-N 1 1 524.550 6.786 1 0 KKAFMO COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OCCC[NH+]3CCN(C)CC3)c(OC)cc21 ZINC000049757186 562675645 /nfs/dbraw/zinc/67/56/45/562675645.db2.gz DCKMTGBFLNPJPS-UHFFFAOYSA-N 1 1 570.719 5.684 1 0 KKAFMO CC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)[NH2+]Cc2ccc3ncccc3c2)nn1 ZINC000049766620 562677144 /nfs/dbraw/zinc/67/71/44/562677144.db2.gz BJXIWHVMUJFWQV-IADCTJSHSA-N 1 1 557.592 6.033 1 0 KKAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncccc2c1)c1cn([C@@H](C)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000049766930 562677315 /nfs/dbraw/zinc/67/73/15/562677315.db2.gz ATLHAHUALOPSKJ-OQRWROFFSA-N 1 1 529.538 5.253 1 0 KKAFMO CC[N@@H+](C[C@@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771144 562677977 /nfs/dbraw/zinc/67/79/77/562677977.db2.gz CZQXPDBVKLWLQZ-NSOVKSMOSA-N 1 1 653.827 5.245 1 0 KKAFMO CC(C)[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771178 562678028 /nfs/dbraw/zinc/67/80/28/562678028.db2.gz JJYCGWVLRXDIGY-SKXFTCKDSA-N 1 1 639.979 6.033 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(Cc5cnc[nH]5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 562678694 /nfs/dbraw/zinc/67/86/94/562678694.db2.gz JPQXHCVMHRKCDV-LJAQVGFWSA-N 1 1 612.844 5.301 1 0 KKAFMO CC(C)(C)C[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049775551 562679128 /nfs/dbraw/zinc/67/91/28/562679128.db2.gz XBOFJPSCQGVLPB-VSGBNLITSA-N 1 1 635.856 6.323 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC([N@@H+](C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777304 562679915 /nfs/dbraw/zinc/67/99/15/562679915.db2.gz LZHIZGLOVRGHRV-HKBQPEDESA-N 1 1 644.926 6.335 1 0 KKAFMO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c([C@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778147 562680983 /nfs/dbraw/zinc/68/09/83/562680983.db2.gz ZPOHWIIFZLLEPQ-MGBGTMOVSA-N 1 1 643.800 7.972 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(NC3=NCCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780167 562681396 /nfs/dbraw/zinc/68/13/96/562681396.db2.gz VLDSOJXTMRDIAY-UHFFFAOYSA-N 1 1 662.766 6.211 1 0 KKAFMO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCC[NH+]5CCOCC5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049780596 562682002 /nfs/dbraw/zinc/68/20/02/562682002.db2.gz FJHJWHQDODDFAU-UHFFFAOYSA-N 1 1 601.633 5.864 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)[C@@H]2CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780760 562682170 /nfs/dbraw/zinc/68/21/70/562682170.db2.gz AEZOKRGSPAENOS-CZZIKKGSSA-N 1 1 627.867 5.954 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2N2CC[C@](C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000049781389 562683052 /nfs/dbraw/zinc/68/30/52/562683052.db2.gz XPXVRXYTAFCHFC-FUBPYXQFSA-N 1 1 639.806 5.500 1 0 KKAFMO O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049833456 562687803 /nfs/dbraw/zinc/68/78/03/562687803.db2.gz BUBLIDZZMNUPQQ-UHFFFAOYSA-N 1 1 657.804 5.153 1 0 KKAFMO O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049833456 562687804 /nfs/dbraw/zinc/68/78/04/562687804.db2.gz BUBLIDZZMNUPQQ-UHFFFAOYSA-N 1 1 657.804 5.153 1 0 KKAFMO COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CC[N@@H+]2C)cc1 ZINC000049833552 562687876 /nfs/dbraw/zinc/68/78/76/562687876.db2.gz CCLPJGYXMUPSKC-LJAQVGFWSA-N 1 1 652.744 6.518 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3csc(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867664 562689624 /nfs/dbraw/zinc/68/96/24/562689624.db2.gz HSGMOZQNCPRWOD-AARCXHMLSA-N 1 1 557.804 6.662 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867721 562689640 /nfs/dbraw/zinc/68/96/40/562689640.db2.gz HMDJSTVCSNOIAW-AARCXHMLSA-N 1 1 557.804 6.662 1 0 KKAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872157 562689806 /nfs/dbraw/zinc/68/98/06/562689806.db2.gz XYXRWYLFPYNKLK-HXUWFJFHSA-N 1 1 575.562 5.240 1 0 KKAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888969 562691691 /nfs/dbraw/zinc/69/16/91/562691691.db2.gz LOOANSAOYXBBSO-JOCHJYFZSA-N 1 1 554.135 5.018 1 0 KKAFMO C[NH+](C)Cc1ccc2nc(-c3cccc(Cc4cc(Cl)ccc4OCc4ccc(Cl)cc4F)n3)[nH]c2c1 ZINC000049908061 562693491 /nfs/dbraw/zinc/69/34/91/562693491.db2.gz QPYNDVKBMMJDRH-UHFFFAOYSA-N 1 1 535.450 7.302 1 0 KKAFMO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917588 562693657 /nfs/dbraw/zinc/69/36/57/562693657.db2.gz GGIHBVOKRSMNKK-SDHOMARFSA-N 1 1 543.539 5.768 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)s2)CC1 ZINC000049917789 562693897 /nfs/dbraw/zinc/69/38/97/562693897.db2.gz GPCVXMJINGXIIG-UHFFFAOYSA-N 1 1 562.498 5.688 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917960 562694211 /nfs/dbraw/zinc/69/42/11/562694211.db2.gz AGLUKBSNZHMNNX-XUVXKRRUSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917958 562694231 /nfs/dbraw/zinc/69/42/31/562694231.db2.gz AGLUKBSNZHMNNX-ZCNNSNEGSA-N 1 1 572.364 6.586 1 0 KKAFMO COc1cccc(CCN(Cc2ccccc2-c2ccc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)C(=O)NC2CCCCC2)c1 ZINC000049918106 562694421 /nfs/dbraw/zinc/69/44/21/562694421.db2.gz DQTPZBDAYHWUQH-UHFFFAOYSA-N 1 1 610.887 7.848 1 0 KKAFMO CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000053243738 562696866 /nfs/dbraw/zinc/69/68/66/562696866.db2.gz IDDMHDQWXISZEM-HHHXNRCGSA-N 1 1 518.702 5.306 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc6[nH]ccc6c5)nc(-c5ccc(C)c(F)c5)c4)CC3)CC2)CC1 ZINC000058541948 562699014 /nfs/dbraw/zinc/69/90/14/562699014.db2.gz OYXMIHGAUYHNLK-UHFFFAOYSA-N 1 1 650.799 5.352 1 0 KKAFMO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)n1 ZINC000058592784 562700681 /nfs/dbraw/zinc/70/06/81/562700681.db2.gz MIVKNUKDYLQHNJ-PMERELPUSA-N 1 1 533.628 5.823 1 0 KKAFMO O=C(OCc1ccccc1)c1cc2c3ccccc3[nH]c2c(CC[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)n1 ZINC000058592784 562700682 /nfs/dbraw/zinc/70/06/82/562700682.db2.gz MIVKNUKDYLQHNJ-PMERELPUSA-N 1 1 533.628 5.823 1 0 KKAFMO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)cc1 ZINC000058655319 562701339 /nfs/dbraw/zinc/70/13/39/562701339.db2.gz QJPSGDXCCOBLIC-VPUSJEBWSA-N 1 1 530.632 5.177 1 0 KKAFMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000058669745 562701505 /nfs/dbraw/zinc/70/15/05/562701505.db2.gz RTJZMWSCHLSZOW-MVSFAKPFSA-N 1 1 591.196 6.780 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000059796437 562702377 /nfs/dbraw/zinc/70/23/77/562702377.db2.gz JTGKUZGKSYNODZ-OETVIHDQSA-N 1 1 500.642 6.557 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061895882 562702930 /nfs/dbraw/zinc/70/29/30/562702930.db2.gz GIPQLPVVJYJDEV-UHFFFAOYSA-N 1 1 520.633 6.470 3 0 KKAFMO COc1ccc(N2c3ccccc3C[N@H+](Cc3ccccc3)C[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921051 562703119 /nfs/dbraw/zinc/70/31/19/562703119.db2.gz ZZOLLJSJHAOYSU-NDEPHWFRSA-N 1 1 524.661 6.486 3 0 KKAFMO C[N@H+]1C[C@@H]2CC[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064447734 562705404 /nfs/dbraw/zinc/70/54/04/562705404.db2.gz DHOHJHINZMGEQL-ZEQRLZLVSA-N 1 1 512.621 5.284 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453799 562705638 /nfs/dbraw/zinc/70/56/38/562705638.db2.gz ZCAZCAFBWFZPCU-SFTDATJTSA-N 1 1 516.584 5.033 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2cn[nH]n2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513164 562706315 /nfs/dbraw/zinc/70/63/15/562706315.db2.gz VHZRLOCLGKGRGG-ZWEKWIFMSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2c[nH]nn2)CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513164 562706316 /nfs/dbraw/zinc/70/63/16/562706316.db2.gz VHZRLOCLGKGRGG-ZWEKWIFMSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2c[nH]nn2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064513164 562706317 /nfs/dbraw/zinc/70/63/17/562706317.db2.gz VHZRLOCLGKGRGG-ZWEKWIFMSA-N 1 1 610.193 6.884 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000064540329 562707736 /nfs/dbraw/zinc/70/77/36/562707736.db2.gz RLDHKTIILVTVIL-YKSBVNFPSA-N 1 1 505.610 5.642 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549686 562708113 /nfs/dbraw/zinc/70/81/13/562708113.db2.gz BVSHUOGAIIDBKK-PPYDQSFFSA-N 1 1 569.032 6.197 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593835 562708789 /nfs/dbraw/zinc/70/87/89/562708789.db2.gz VOTBTNSFNLURLT-FSOZDLKISA-N 1 1 568.639 7.576 3 0 KKAFMO C[C@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073932 562709588 /nfs/dbraw/zinc/70/95/88/562709588.db2.gz QCTSPULDYKATSX-FQEVSTJZSA-N 1 1 621.440 6.800 1 0 KKAFMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073932 562709589 /nfs/dbraw/zinc/70/95/89/562709589.db2.gz QCTSPULDYKATSX-FQEVSTJZSA-N 1 1 621.440 6.800 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000066074274 562709776 /nfs/dbraw/zinc/70/97/76/562709776.db2.gz QOZYCPXEWOKZTB-UHFFFAOYSA-N 1 1 538.059 6.056 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000066074610 562709815 /nfs/dbraw/zinc/70/98/15/562709815.db2.gz IHYSQDSSAOQARF-UHFFFAOYSA-N 1 1 552.086 6.446 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)Nc3ccc(F)c(F)c3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079085 562710573 /nfs/dbraw/zinc/71/05/73/562710573.db2.gz WCMRUXPJUJQVRU-IBGZPJMESA-N 1 1 574.503 6.094 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)Nc3ccc(F)c(F)c3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079085 562710574 /nfs/dbraw/zinc/71/05/74/562710574.db2.gz WCMRUXPJUJQVRU-IBGZPJMESA-N 1 1 574.503 6.094 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102586 562711480 /nfs/dbraw/zinc/71/14/80/562711480.db2.gz FYONRHDEVCYUIG-SITIXWHRSA-N 1 1 565.640 5.695 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123115 562712425 /nfs/dbraw/zinc/71/24/25/562712425.db2.gz HIXUNFAFDDRQIW-WNQXLSPZSA-N 1 1 626.037 6.955 3 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000066251268 562714437 /nfs/dbraw/zinc/71/44/37/562714437.db2.gz QBHOJOZHMOMXHJ-UHFFFAOYSA-N 1 1 512.695 5.099 1 0 KKAFMO FC(F)(F)c1ccc(Nc2nc(N3CC[NH+](C4CC4)CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066262068 562715501 /nfs/dbraw/zinc/71/55/01/562715501.db2.gz VARATGTYNUKROK-UHFFFAOYSA-N 1 1 577.577 5.542 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[C@H]([N@@H+](C)C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068078763 562715695 /nfs/dbraw/zinc/71/56/95/562715695.db2.gz SOYXIWFQNXVTEV-MXYZTJPYSA-N 1 1 680.284 7.054 1 0 KKAFMO O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000068204918 562716014 /nfs/dbraw/zinc/71/60/14/562716014.db2.gz PRFPQFGVAALIMH-UHFFFAOYSA-N 1 1 565.664 5.417 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N(C)C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068243677 562716058 /nfs/dbraw/zinc/71/60/58/562716058.db2.gz ACNLYDWIFLWOSO-REUBFRLUSA-N 1 1 614.221 6.903 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000071294927 562717016 /nfs/dbraw/zinc/71/70/16/562717016.db2.gz KLHAOCSSUHFUMN-BETPUDKTSA-N 1 1 600.771 5.957 1 0 KKAFMO CC[NH+](CC)CCc1ccc(Oc2ccc(C(=O)c3ccc(CN(C)Cc4ccccc4)cc3)cc2)cc1 ZINC000071297013 562717697 /nfs/dbraw/zinc/71/76/97/562717697.db2.gz PKMOPDBOZLQVPB-UHFFFAOYSA-N 1 1 506.690 7.226 1 0 KKAFMO CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCCCCC[NH+]3CCCCC3)cc2)cc1 ZINC000071319038 562718706 /nfs/dbraw/zinc/71/87/06/562718706.db2.gz WSCLZQFXVHSGBN-UHFFFAOYSA-N 1 1 512.738 7.365 1 0 KKAFMO Cc1ccccc1/C=C1\C[N@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1C ZINC000071334644 562719622 /nfs/dbraw/zinc/71/96/22/562719622.db2.gz ALYJDRFVACLTCQ-IDGUORLLSA-N 1 1 537.063 6.731 1 0 KKAFMO COc1ccc(OC)c(C=C2C[N@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000071340435 562719744 /nfs/dbraw/zinc/71/97/44/562719744.db2.gz ZDYLNWFDNYBRBU-XOFDCVHHSA-N 1 1 543.689 5.093 1 0 KKAFMO COc1ccc(OC)c(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000071340435 562719745 /nfs/dbraw/zinc/71/97/45/562719745.db2.gz ZDYLNWFDNYBRBU-XOFDCVHHSA-N 1 1 543.689 5.093 1 0 KKAFMO COc1cc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341830 562720072 /nfs/dbraw/zinc/72/00/72/562720072.db2.gz JJZIVINBRAZEBB-FVXVQVJUSA-N 1 1 603.741 5.111 1 0 KKAFMO COc1ccc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342008 562720118 /nfs/dbraw/zinc/72/01/18/562720118.db2.gz UDJFXWAYBUHRBB-NDHMKERHSA-N 1 1 543.689 5.093 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072103341 562720345 /nfs/dbraw/zinc/72/03/45/562720345.db2.gz LYQMRXJFAYHHGQ-WISKXVKBSA-N 1 1 676.053 6.857 3 0 KKAFMO O=C(NC1CC[NH+]([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000072103792 562720378 /nfs/dbraw/zinc/72/03/78/562720378.db2.gz ASFKQTYVMRFZIM-QFIPXVFZSA-N 1 1 508.466 5.498 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072103974 562720382 /nfs/dbraw/zinc/72/03/82/562720382.db2.gz SVKHAVGWIITPOK-HQPLKVBUSA-N 1 1 714.058 6.528 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072104777 562720615 /nfs/dbraw/zinc/72/06/15/562720615.db2.gz PCXUVPXCMZTHGL-WNQXLSPZSA-N 1 1 680.041 6.331 3 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1OC ZINC000072104849 562720648 /nfs/dbraw/zinc/72/06/48/562720648.db2.gz HKQBUMHJUMBHGG-UHFFFAOYSA-N 1 1 544.527 5.391 1 0 KKAFMO CCN(CC)C(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110105 562721737 /nfs/dbraw/zinc/72/17/37/562721737.db2.gz NCTWLJKEDXBDEQ-LXQNXJGFSA-N 1 1 642.275 7.683 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@H](O)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110154 562721739 /nfs/dbraw/zinc/72/17/39/562721739.db2.gz WJOOVZMVFYNXBU-BVDUFFPGSA-N 1 1 656.258 6.408 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCC(F)(F)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110358 562721770 /nfs/dbraw/zinc/72/17/70/562721770.db2.gz HJMJJISVTSQZLJ-GKRYNVPLSA-N 1 1 676.239 7.682 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072113425 562722393 /nfs/dbraw/zinc/72/23/93/562722393.db2.gz UXNWJLXUFSAETJ-JSOSNVBQSA-N 1 1 595.571 6.108 1 0 KKAFMO Cc1ccc(-c2cc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccccc2)cc1 ZINC000072119924 562723907 /nfs/dbraw/zinc/72/39/07/562723907.db2.gz PBHRIABKWDJCPT-UHFFFAOYSA-N 1 1 520.721 6.422 1 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072121964 562724334 /nfs/dbraw/zinc/72/43/34/562724334.db2.gz BZTFYZWQDYGUPP-UHFFFAOYSA-N 1 1 537.458 5.955 3 0 KKAFMO COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072123002 562724657 /nfs/dbraw/zinc/72/46/57/562724657.db2.gz POQITDHZMAIZIM-UHFFFAOYSA-N 1 1 503.348 5.197 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126774 562725351 /nfs/dbraw/zinc/72/53/51/562725351.db2.gz SUUNCWUXVWQQTA-WISKXVKBSA-N 1 1 670.005 6.129 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127718 562725817 /nfs/dbraw/zinc/72/58/17/562725817.db2.gz URKCJPXHIQHWTQ-ZYADHFCISA-N 1 1 728.041 6.074 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128658 562726178 /nfs/dbraw/zinc/72/61/78/562726178.db2.gz CVZSJBNOKILKBT-BBACVFHCSA-N 1 1 662.026 6.467 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(F)cc(F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129835 562726473 /nfs/dbraw/zinc/72/64/73/562726473.db2.gz LRVBUEHMPJBLID-ULJKERAFSA-N 1 1 682.237 6.356 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129850 562726489 /nfs/dbraw/zinc/72/64/89/562726489.db2.gz ZHGDXFXLUIDXEX-ULJKERAFSA-N 1 1 698.692 6.870 1 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)CCCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129894 562726561 /nfs/dbraw/zinc/72/65/61/562726561.db2.gz BODOHUCWCQTCDD-LBWKNVSKSA-N 1 1 673.964 6.732 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072131704 562726758 /nfs/dbraw/zinc/72/67/58/562726758.db2.gz RAZAZARQWPTNSC-HLIHLSHCSA-N 1 1 684.922 6.088 1 0 KKAFMO CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[N@H+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727246 /nfs/dbraw/zinc/72/72/46/562727246.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 1 1 614.834 6.599 1 0 KKAFMO CC[C@@]12CCCN3CCc4c5ccccc5n(c4[C@@H]31)[C@@H](c1ccc3c(c1)[C@@]14CC[N@@H+]5CC=C[C@@]6(C[C@@H](C(=O)OC)[C@]1(N3)[C@@H]6C)[C@H]54)C2 ZINC000072134147 562727247 /nfs/dbraw/zinc/72/72/47/562727247.db2.gz MZITZBZTMCXZQS-FVNDCLGZSA-N 1 1 614.834 6.599 1 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135851 562727605 /nfs/dbraw/zinc/72/76/05/562727605.db2.gz ROVGVQKXMAMTLO-HQPLKVBUSA-N 1 1 712.042 6.369 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072135903 562727656 /nfs/dbraw/zinc/72/76/56/562727656.db2.gz RZBAHHBRQVWZMS-YZZMFXRHSA-N 1 1 617.790 7.128 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137971 562728553 /nfs/dbraw/zinc/72/85/53/562728553.db2.gz OPEGQSWCUZCCSS-HQPLKVBUSA-N 1 1 714.058 6.528 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138316 562728735 /nfs/dbraw/zinc/72/87/35/562728735.db2.gz RXMLNHHGSMPDLP-JWUQWVJQSA-N 1 1 593.690 6.354 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000072139862 562729109 /nfs/dbraw/zinc/72/91/09/562729109.db2.gz TVWKFXQBFNEXJF-UHFFFAOYSA-N 1 1 541.677 5.467 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072139922 562729114 /nfs/dbraw/zinc/72/91/14/562729114.db2.gz SGKISRCTDKZMEW-KWRMZWAXSA-N 1 1 692.052 6.562 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072142548 562729559 /nfs/dbraw/zinc/72/95/59/562729559.db2.gz VDLPWXZTFMEIKB-ANUHUJQCSA-N 1 1 643.749 9.848 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152652 562730104 /nfs/dbraw/zinc/73/01/04/562730104.db2.gz QYQJQQGVLMAZDD-OWGSQAEBSA-N 1 1 635.648 9.200 3 0 KKAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173153 562730803 /nfs/dbraw/zinc/73/08/03/562730803.db2.gz VPROAOHFEFPIMT-RXJWUWLLSA-N 1 1 647.048 5.590 1 0 KKAFMO O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173179 562730805 /nfs/dbraw/zinc/73/08/05/562730805.db2.gz CGCJJVLLFJMPLA-UZGAGFRRSA-N 1 1 691.499 5.700 1 0 KKAFMO Cc1ccc(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c(C)c1 ZINC000072173429 562730944 /nfs/dbraw/zinc/73/09/44/562730944.db2.gz ZJRYVYSMLLTUKI-RRHRGVEJSA-N 1 1 557.760 6.015 1 0 KKAFMO O=C(/C=C/c1cccc(F)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173420 562730960 /nfs/dbraw/zinc/73/09/60/562730960.db2.gz YZCZMMKGCRAJPO-UZGAGFRRSA-N 1 1 630.593 5.076 1 0 KKAFMO O=C(/C=C/c1ccccc1F)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173395 562730967 /nfs/dbraw/zinc/73/09/67/562730967.db2.gz ZQJYXFFNSUOLKO-RXJWUWLLSA-N 1 1 630.593 5.076 1 0 KKAFMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174803 562731175 /nfs/dbraw/zinc/73/11/75/562731175.db2.gz ZTBIKTXGDOQWOB-MUUNZHRXSA-N 1 1 594.629 5.194 1 0 KKAFMO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072176098 562731497 /nfs/dbraw/zinc/73/14/97/562731497.db2.gz GRHVPUMKTBLTHK-PMERELPUSA-N 1 1 614.619 5.100 1 0 KKAFMO C[N@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NS(=O)(=O)c6ccccc6)c5)nc5ccccn54)n3)cc2C1 ZINC000072176292 562731589 /nfs/dbraw/zinc/73/15/89/562731589.db2.gz SAKZRMKAJKEMKV-UHFFFAOYSA-N 1 1 587.709 5.991 1 0 KKAFMO CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139508 562733430 /nfs/dbraw/zinc/73/34/30/562733430.db2.gz AEQMXNHFCMAJOR-GDLZYMKVSA-N 1 1 540.730 5.187 1 0 KKAFMO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000073162214 562734166 /nfs/dbraw/zinc/73/41/66/562734166.db2.gz JEGVPURQLWUILZ-VWLOTQADSA-N 1 1 512.021 5.018 1 0 KKAFMO COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390989 562738617 /nfs/dbraw/zinc/73/86/17/562738617.db2.gz PQJUAFOFVNRFTF-VSGBNLITSA-N 1 1 576.693 6.831 1 0 KKAFMO CN1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150195 562739803 /nfs/dbraw/zinc/73/98/03/562739803.db2.gz FFFZTEDRBPFNSJ-JATAFJLTSA-N 1 1 529.769 5.532 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164950 562741342 /nfs/dbraw/zinc/74/13/42/562741342.db2.gz ANPQBASXSZBVPK-QIKUIUABSA-N 1 1 709.852 5.249 1 0 KKAFMO 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]2N1C ZINC000082175034 562741611 /nfs/dbraw/zinc/74/16/11/562741611.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 1 1 642.844 6.121 1 0 KKAFMO 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]2N1C ZINC000082175034 562741612 /nfs/dbraw/zinc/74/16/12/562741612.db2.gz NOKYQXVIWFQLED-HXCLOJFDSA-N 1 1 642.844 6.121 1 0 KKAFMO O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1 ZINC000084373618 562742887 /nfs/dbraw/zinc/74/28/87/562742887.db2.gz JSGFOPNBVQAGAL-UHFFFAOYSA-N 1 1 606.425 7.017 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1 ZINC000084598217 562743998 /nfs/dbraw/zinc/74/39/98/562743998.db2.gz CVLQBOKVCROUJQ-UHFFFAOYSA-N 1 1 508.824 8.278 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cccc(Cl)c2)n1 ZINC000084618027 562745031 /nfs/dbraw/zinc/74/50/31/562745031.db2.gz RUZFWRMNCUTJGG-IZZNHLLZSA-N 1 1 541.086 6.332 1 0 KKAFMO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084632233 562745446 /nfs/dbraw/zinc/74/54/46/562745446.db2.gz CYOVZSWTZMONDR-AUFCLJJTSA-N 1 1 632.865 7.205 1 0 KKAFMO Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632649 562745561 /nfs/dbraw/zinc/74/55/61/562745561.db2.gz VSDJQVBNLIHGKB-GOSISDBHSA-N 1 1 538.685 5.258 1 0 KKAFMO Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084632649 562745562 /nfs/dbraw/zinc/74/55/62/562745562.db2.gz VSDJQVBNLIHGKB-GOSISDBHSA-N 1 1 538.685 5.258 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)c(F)c2)n1 ZINC000084633507 562745742 /nfs/dbraw/zinc/74/57/42/562745742.db2.gz FDHSURWKOPVKQI-XZOQPEGZSA-N 1 1 543.609 5.352 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2F)n1 ZINC000084634159 562745872 /nfs/dbraw/zinc/74/58/72/562745872.db2.gz WYSDTMDWWKINPD-BJKOFHAPSA-N 1 1 559.076 6.472 1 0 KKAFMO COc1cc2c(cc1OC(C)=O)[C@H]1CCc3cc(OC)c(OC)c(OC)c3[C@@H](C2)[N@@H+]1Cc1ccccc1 ZINC000084651976 562746353 /nfs/dbraw/zinc/74/63/53/562746353.db2.gz YKIWCNVBHLEKFN-DNQXCXABSA-N 1 1 503.595 5.433 1 0 KKAFMO COc1cc2c(cc1OC(C)=O)[C@H]1CCc3cc(OC)c(OC)c(OC)c3[C@@H](C2)[N@H+]1Cc1ccccc1 ZINC000084651976 562746354 /nfs/dbraw/zinc/74/63/54/562746354.db2.gz YKIWCNVBHLEKFN-DNQXCXABSA-N 1 1 503.595 5.433 1 0 KKAFMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084669048 562747844 /nfs/dbraw/zinc/74/78/44/562747844.db2.gz LNFWQYLBJACNJM-QHCPKHFHSA-N 1 1 566.689 6.435 1 0 KKAFMO C[NH+](C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3nc4ccc(NCc5ccc(-c6ccccn6)cc5)cc4[nH]3)c2c1)c1ccccc1 ZINC000084669606 562748029 /nfs/dbraw/zinc/74/80/29/562748029.db2.gz UDUJMNSPFCQWTL-UUWRZZSWSA-N 1 1 606.734 6.813 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084672028 562748723 /nfs/dbraw/zinc/74/87/23/562748723.db2.gz YVZUXTCONMLFMR-YYDVJCTNSA-N 1 1 596.741 5.314 1 0 KKAFMO CCN(CC)CC(=O)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)C[NH+](CC)CC)cc6)nn5)cc4c3)nn2)cc1 ZINC000084689232 562749283 /nfs/dbraw/zinc/74/92/83/562749283.db2.gz DJHPSUBYKBMKBC-UHFFFAOYSA-N 1 1 670.822 5.896 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690060 562749490 /nfs/dbraw/zinc/74/94/90/562749490.db2.gz HGGQOKYQEVUFKC-SJHHWCTQSA-N 1 1 576.685 5.249 1 0 KKAFMO COc1cc2c(cc1OC[C@@H]1CCC[N@@H+](CCF)C1)ncnc2Nc1ccc(Br)cc1F ZINC000084722549 562751021 /nfs/dbraw/zinc/75/10/21/562751021.db2.gz CUDNVNAJWGYIIW-OAHLLOKOSA-N 1 1 507.379 5.344 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758696 562752714 /nfs/dbraw/zinc/75/27/14/562752714.db2.gz IAADTHQACMECFU-MHZLTWQESA-N 1 1 590.843 9.069 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758696 562752715 /nfs/dbraw/zinc/75/27/15/562752715.db2.gz IAADTHQACMECFU-MHZLTWQESA-N 1 1 590.843 9.069 1 0 KKAFMO O=C(N[C@H](Cc1ccccc1)C[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1cncs1 ZINC000095539366 562754994 /nfs/dbraw/zinc/75/49/94/562754994.db2.gz YKGANGZPZGMFOH-ZTJXOPACSA-N 1 1 840.066 7.271 1 0 KKAFMO Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000095540032 562755487 /nfs/dbraw/zinc/75/54/87/562755487.db2.gz ZYQVBQUMCIPRMJ-MDWZMJQESA-N 1 1 739.660 6.705 1 0 KKAFMO CCCCCC[P@](=O)(COc1ccc(CC[N@@H+](C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc32)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc32)cc1)OCCCC ZINC000095548890 562759599 /nfs/dbraw/zinc/75/95/99/562759599.db2.gz HGLRSGVEGXDYFV-JIRHPVPXSA-N 1 1 819.937 6.583 1 0 KKAFMO CC[N@H+]1CCC[C@H](CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095552801 562760782 /nfs/dbraw/zinc/76/07/82/562760782.db2.gz JAYGZFPMNNIDPY-JCQPUDPBSA-N 1 1 515.268 5.734 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095554203 562761138 /nfs/dbraw/zinc/76/11/38/562761138.db2.gz AKCCMIDFQOCQFU-UHFFFAOYSA-N 1 1 590.498 7.876 1 0 KKAFMO Nc1sc(-c2ccc(Cl)cc2)c(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095554818 562761344 /nfs/dbraw/zinc/76/13/44/562761344.db2.gz OVFNKWDUXDNYQL-UHFFFAOYSA-N 1 1 590.498 7.876 1 0 KKAFMO Cc1nccc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)nc21 ZINC000095554699 562761356 /nfs/dbraw/zinc/76/13/56/562761356.db2.gz KLMXIZZPDYWOPQ-KUAISQTGSA-N 1 1 618.682 5.130 1 0 KKAFMO C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000095559306 562762703 /nfs/dbraw/zinc/76/27/03/562762703.db2.gz VALXHTYNSBIIKC-IDXOVHGGSA-N 1 1 518.745 7.761 1 0 KKAFMO CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000095562371 562763688 /nfs/dbraw/zinc/76/36/88/562763688.db2.gz FDQHNDVVDQCJSB-XMMPIXPASA-N 1 1 561.191 9.376 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095565378 562764621 /nfs/dbraw/zinc/76/46/21/562764621.db2.gz LHPQGQHPHMSMSB-GLBCCIBASA-N 1 1 640.841 6.777 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095565961 562764741 /nfs/dbraw/zinc/76/47/41/562764741.db2.gz AMEWTOKWBIKYEC-XUKQSAIQSA-N 1 1 664.807 5.446 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566346 562764901 /nfs/dbraw/zinc/76/49/01/562764901.db2.gz QMCFBRPLMVFDBX-VBEKBXFHSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095566392 562764931 /nfs/dbraw/zinc/76/49/31/562764931.db2.gz HMCLAGFKTYIJCB-NJQVLOCASA-N 1 1 648.726 6.784 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095566420 562764934 /nfs/dbraw/zinc/76/49/34/562764934.db2.gz CGLNLVFPHXEQAP-DSNGTPCMSA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765027 /nfs/dbraw/zinc/76/50/27/562765027.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N 1 1 655.044 5.729 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566574 562765085 /nfs/dbraw/zinc/76/50/85/562765085.db2.gz RBDGKEGTWTXSMS-GTNJKRJXSA-N 1 1 590.687 6.082 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566573 562765097 /nfs/dbraw/zinc/76/50/97/562765097.db2.gz GQPLODGYDYCVNT-URCPOSBSSA-N 1 1 650.625 5.084 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566615 562765172 /nfs/dbraw/zinc/76/51/72/562765172.db2.gz DWBBIMOOPOSMMP-PCFSMJPMSA-N 1 1 617.549 6.058 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566791 562765245 /nfs/dbraw/zinc/76/52/45/562765245.db2.gz GHZMXVOCHVGOQG-VHNUMCGNSA-N 1 1 635.850 5.529 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567101 562765555 /nfs/dbraw/zinc/76/55/55/562765555.db2.gz HLJJEFQTBOXRLT-GGXMLBGGSA-N 1 1 644.816 6.379 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567173 562765606 /nfs/dbraw/zinc/76/56/06/562765606.db2.gz GJYWPGQZJRIMRE-MZXMJASYSA-N 1 1 649.877 5.458 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567318 562765661 /nfs/dbraw/zinc/76/56/61/562765661.db2.gz RRTIWHGSFRWPSK-SYZUXVNWSA-N 1 1 598.666 5.630 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567458 562765799 /nfs/dbraw/zinc/76/57/99/562765799.db2.gz UGALTWQJAJNGEN-LSJJIYBBSA-N 1 1 720.292 5.256 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567821 562766118 /nfs/dbraw/zinc/76/61/18/562766118.db2.gz VYCOOHAMPRTWAW-YHPNNPEYSA-N 1 1 719.927 6.745 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568132 562766339 /nfs/dbraw/zinc/76/63/39/562766339.db2.gz UPYOMULBLKVBBL-ZPRXKFAUSA-N 1 1 622.851 6.638 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568347 562766493 /nfs/dbraw/zinc/76/64/93/562766493.db2.gz ORTMWWQHMCADOR-HHPFYWKMSA-N 1 1 741.178 7.375 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568364 562766554 /nfs/dbraw/zinc/76/65/54/562766554.db2.gz HTBVGGFTFZKUKZ-JJWUTGECSA-N 1 1 651.635 5.947 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568711 562766849 /nfs/dbraw/zinc/76/68/49/562766849.db2.gz WWIBJYPAJPFNSR-BTOMHAHJSA-N 1 1 635.592 7.143 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569001 562767081 /nfs/dbraw/zinc/76/70/81/562767081.db2.gz AYTPHXXENYRUGZ-WISKXVKBSA-N 1 1 646.027 6.761 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095569108 562767196 /nfs/dbraw/zinc/76/71/96/562767196.db2.gz WVAVZXUUZRXWFN-XDWGWCSASA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569226 562767317 /nfs/dbraw/zinc/76/73/17/562767317.db2.gz BTOKSVPFEBLMIX-SNCSJZQCSA-N 1 1 712.719 6.384 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569334 562767324 /nfs/dbraw/zinc/76/73/24/562767324.db2.gz YDQHBDWJWTWAAY-LPBFERMMSA-N 1 1 642.675 5.359 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569336 562767367 /nfs/dbraw/zinc/76/73/67/562767367.db2.gz QMCFBRPLMVFDBX-WGKZYHDKSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569489 562767462 /nfs/dbraw/zinc/76/74/62/562767462.db2.gz QLYAZMSBNLAUET-MKVNITDJSA-N 1 1 692.842 5.735 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095569451 562767465 /nfs/dbraw/zinc/76/74/65/562767465.db2.gz BWUBMXZZYOWTMV-NPKFRGRUSA-N 1 1 628.692 5.639 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569507 562767489 /nfs/dbraw/zinc/76/74/89/562767489.db2.gz AEJZUCBWZLFKKV-NPKFRGRUSA-N 1 1 628.692 5.639 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570370 562768114 /nfs/dbraw/zinc/76/81/14/562768114.db2.gz ANMWFCJWJFPARY-BQYLNSIHSA-N 1 1 660.054 7.151 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095570355 562768125 /nfs/dbraw/zinc/76/81/25/562768125.db2.gz YEMFTFQZFYNTOU-BVXAZASISA-N 1 1 634.699 6.855 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571000 562768657 /nfs/dbraw/zinc/76/86/57/562768657.db2.gz HIQVTQYFSNAZIX-ANSQWYIGSA-N 1 1 627.594 6.208 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571207 562768897 /nfs/dbraw/zinc/76/88/97/562768897.db2.gz RBDGKEGTWTXSMS-UMQWNRPGSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095571239 562768909 /nfs/dbraw/zinc/76/89/09/562768909.db2.gz HOPYMWLRLXEYET-SXIDADOMSA-N 1 1 708.816 5.175 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571381 562768978 /nfs/dbraw/zinc/76/89/78/562768978.db2.gz BWUBMXZZYOWTMV-VDZJOXJSSA-N 1 1 628.692 5.639 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571422 562769074 /nfs/dbraw/zinc/76/90/74/562769074.db2.gz RZRAZDHUSITVCK-TZNXZYKKSA-N 1 1 656.828 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769148 /nfs/dbraw/zinc/76/91/48/562769148.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N 1 1 620.599 5.075 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@@H+](CCF)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095572138 562769324 /nfs/dbraw/zinc/76/93/24/562769324.db2.gz PSZPFAYNFMJXDQ-XPYDGVJRSA-N 1 1 507.009 5.198 1 0 KKAFMO C[N@@H+](CCCCCCCCNc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)Cc1ccccc1 ZINC000095573515 562769708 /nfs/dbraw/zinc/76/97/08/562769708.db2.gz MDZJROPINCOXAB-UHFFFAOYSA-N 1 1 545.731 7.284 1 0 KKAFMO CCN(CC)C(=O)c1ccc(SC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095574994 562770117 /nfs/dbraw/zinc/77/01/17/562770117.db2.gz KVLHUOGVRDWEOS-UHFFFAOYSA-N 1 1 503.737 5.953 1 0 KKAFMO Cc1ccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)cc1 ZINC000095576164 562770562 /nfs/dbraw/zinc/77/05/62/562770562.db2.gz NUGRWCOCRSLONK-UHFFFAOYSA-N 1 1 545.723 9.101 1 0 KKAFMO COc1cc(OC)cc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000095577307 562770900 /nfs/dbraw/zinc/77/09/00/562770900.db2.gz XCTJCWVRAHAEPF-UHFFFAOYSA-N 1 1 591.748 8.809 1 0 KKAFMO C[N@H+]1C[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095579333 562771498 /nfs/dbraw/zinc/77/14/98/562771498.db2.gz UWRRTYUCSWJYQE-HNAOKYFASA-N 1 1 508.544 5.223 1 0 KKAFMO COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095588203 562774632 /nfs/dbraw/zinc/77/46/32/562774632.db2.gz APOZVOAEAUGHRO-YADHBBJMSA-N 1 1 591.709 5.177 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(CC[N@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095589816 562775052 /nfs/dbraw/zinc/77/50/52/562775052.db2.gz XONXNNHMHOBHPW-UHFFFAOYSA-N 1 1 541.651 6.542 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095590155 562775150 /nfs/dbraw/zinc/77/51/50/562775150.db2.gz UFTRELGKIMDDOL-UHFFFAOYSA-N 1 1 616.084 8.017 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095599154 562777791 /nfs/dbraw/zinc/77/77/91/562777791.db2.gz KVYNYDNSHYPGTF-FBTROWELSA-N 1 1 669.785 6.885 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095599294 562777938 /nfs/dbraw/zinc/77/79/38/562777938.db2.gz TWIGAEAIANFZGS-DVHCVUMVSA-N 1 1 602.629 5.841 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095599712 562778266 /nfs/dbraw/zinc/77/82/66/562778266.db2.gz RRRJJHOCKYLCQN-INRPXOMJSA-N 1 1 631.814 5.875 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599767 562778357 /nfs/dbraw/zinc/77/83/57/562778357.db2.gz CHFYKRHHVBHPRB-YUKNNVIKSA-N 1 1 685.693 7.565 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600259 562778746 /nfs/dbraw/zinc/77/87/46/562778746.db2.gz LFZLAWVTNRSJHJ-IHLWBQKJSA-N 1 1 735.866 6.442 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600565 562779049 /nfs/dbraw/zinc/77/90/49/562779049.db2.gz UQRVVYXDOOLUAO-BEAGFIRGSA-N 1 1 723.830 6.573 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600727 562779145 /nfs/dbraw/zinc/77/91/45/562779145.db2.gz VXNFDAPCMDSUMH-QRIZJJBVSA-N 1 1 710.070 7.053 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095601245 562779504 /nfs/dbraw/zinc/77/95/04/562779504.db2.gz IMOPPOUSPRBUCB-WTBTXGFSSA-N 1 1 697.799 6.167 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602067 562779914 /nfs/dbraw/zinc/77/99/14/562779914.db2.gz UQRVVYXDOOLUAO-NAJARDBOSA-N 1 1 723.830 6.573 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095602295 562780011 /nfs/dbraw/zinc/78/00/11/562780011.db2.gz XVJMWCXMALPRRA-XLCATFGMSA-N 1 1 661.796 5.700 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603095 562780368 /nfs/dbraw/zinc/78/03/68/562780368.db2.gz UIKXZKCHSBRXDR-GHVZQYPWSA-N 1 1 705.840 6.434 1 0 KKAFMO 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(F)(F)F)cc2C1=O ZINC000095603427 562780566 /nfs/dbraw/zinc/78/05/66/562780566.db2.gz QKQHOPFIEPLIHC-HTWFIQDWSA-N 1 1 689.738 6.914 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603749 562780640 /nfs/dbraw/zinc/78/06/40/562780640.db2.gz QMCFBRPLMVFDBX-FXRKCPOXSA-N 1 1 740.285 7.087 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)O3)cc1 ZINC000095604370 562780996 /nfs/dbraw/zinc/78/09/96/562780996.db2.gz ISGWUMSRLISZDA-NUNJUMJCSA-N 1 1 720.760 7.030 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095605126 562781364 /nfs/dbraw/zinc/78/13/64/562781364.db2.gz DVQUFFYKIBJZKN-WHGPLQJCSA-N 1 1 656.827 7.432 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095605164 562781449 /nfs/dbraw/zinc/78/14/49/562781449.db2.gz RXIJSVCALBVVES-FXRKCPOXSA-N 1 1 706.733 6.722 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000095606411 562782069 /nfs/dbraw/zinc/78/20/69/562782069.db2.gz WYEUTPJDGLHBSW-HTGHOQDLSA-N 1 1 558.742 5.781 1 0 KKAFMO COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2CCN(Cc3ccccc3)CC2)cc1F ZINC000095616641 562787881 /nfs/dbraw/zinc/78/78/81/562787881.db2.gz VGKVZHQKCZMUGO-UHFFFAOYSA-N 1 1 776.975 7.288 1 0 KKAFMO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000095627814 562788086 /nfs/dbraw/zinc/78/80/86/562788086.db2.gz UTUOMLTZTYIWJL-LETRWZBTSA-N 1 1 776.942 7.861 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666359 562788263 /nfs/dbraw/zinc/78/82/63/562788263.db2.gz LYMUYLCMDRKWKZ-UGIZIUIESA-N 1 1 601.791 7.002 1 0 KKAFMO COc1ccc2c(c1)n(C)c1c2C2(CCN(Cc3nccs3)CC2)C[N@@H+](CC2CCCCC2)[C@@H]1CO ZINC000095666479 562788287 /nfs/dbraw/zinc/78/82/87/562788287.db2.gz XKHKGEXEYHPOPX-RUZDIDTESA-N 1 1 508.732 5.107 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095782458 562789086 /nfs/dbraw/zinc/78/90/86/562789086.db2.gz QWTHGLUFUCUWTA-NUNJUMJCSA-N 1 1 684.705 7.102 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095838086 562789460 /nfs/dbraw/zinc/78/94/60/562789460.db2.gz IYHPIUZHKVLRCJ-HFZPWKHCSA-N 1 1 541.692 5.054 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095846498 562789496 /nfs/dbraw/zinc/78/94/96/562789496.db2.gz WAZWVLWQIWHNSB-JALBGMRZSA-N 1 1 660.812 5.987 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867035 562789792 /nfs/dbraw/zinc/78/97/92/562789792.db2.gz TYIUHSCZBUSREW-WOGZVKCMSA-N 1 1 594.583 6.642 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867098 562789802 /nfs/dbraw/zinc/78/98/02/562789802.db2.gz LYMUYLCMDRKWKZ-HFAAXNRMSA-N 1 1 601.791 7.002 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867043 562789819 /nfs/dbraw/zinc/78/98/19/562789819.db2.gz ZWEDFXZUTGJBMW-DUELTEGESA-N 1 1 593.690 6.354 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868991 562789921 /nfs/dbraw/zinc/78/99/21/562789921.db2.gz AZIJFCJKAWQBQX-DUELTEGESA-N 1 1 593.690 6.354 1 0 KKAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCCCN4CC[NH+](C)CC4)cc3)nc12 ZINC000096167720 562790507 /nfs/dbraw/zinc/79/05/07/562790507.db2.gz BZRIMEVGBJNZTO-UHFFFAOYSA-N 1 1 537.495 6.067 1 0 KKAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169832 562790890 /nfs/dbraw/zinc/79/08/90/562790890.db2.gz DNPZJPXOXCQXPR-UHFFFAOYSA-N 1 1 588.581 5.291 1 0 KKAFMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174011 562791582 /nfs/dbraw/zinc/79/15/82/562791582.db2.gz SZTWINYCQZKHJN-HSZRJFAPSA-N 1 1 507.642 5.134 1 0 KKAFMO Cc1cc(Nc2nc3nn[nH]c3c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000096177952 562792534 /nfs/dbraw/zinc/79/25/34/562792534.db2.gz HYVDZBWKEAFWAG-UHFFFAOYSA-N 1 1 578.743 5.322 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c3ccccc3c2=O)cc1F ZINC000096270751 562793340 /nfs/dbraw/zinc/79/33/40/562793340.db2.gz SLONUMXPVJUXEW-UHFFFAOYSA-N 1 1 759.713 7.126 1 0 KKAFMO O=C(Nc1ccc(Sc2nc(Cl)cc(Nc3c[nH]nc3-c3nc4ccc(C[NH+]5CCCCC5)cc4[nH]3)n2)cc1)C1CC1 ZINC000096271631 562793874 /nfs/dbraw/zinc/79/38/74/562793874.db2.gz FVYYEKOHBWXBII-UHFFFAOYSA-N 1 1 600.152 6.626 1 0 KKAFMO CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284377 562795143 /nfs/dbraw/zinc/79/51/43/562795143.db2.gz DRWIINODRIXUJU-PMERELPUSA-N 1 1 537.708 5.622 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000096302070 562796243 /nfs/dbraw/zinc/79/62/43/562796243.db2.gz ZTZVDDZSGANOSN-KCTCJIHVSA-N 1 1 542.768 5.888 1 0 KKAFMO CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318640 562796527 /nfs/dbraw/zinc/79/65/27/562796527.db2.gz VVKGDYNXTFLKQR-UHFFFAOYSA-N 1 1 616.655 5.922 1 0 KKAFMO 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)N(C)CC4 ZINC000096902197 562797259 /nfs/dbraw/zinc/79/72/59/562797259.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 1 1 802.921 8.399 1 0 KKAFMO 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)N(C)CC4 ZINC000096902197 562797260 /nfs/dbraw/zinc/79/72/60/562797260.db2.gz IMVOBBVIXAQIED-OIDHKYIRSA-N 1 1 802.921 8.399 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907742 562799236 /nfs/dbraw/zinc/79/92/36/562799236.db2.gz DUMWFMFWWQGRCL-SXSCYYOBSA-N 1 1 664.644 7.035 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908951 562799474 /nfs/dbraw/zinc/79/94/74/562799474.db2.gz ANDQERACPIUVTL-UHFFFAOYSA-N 1 1 598.729 5.962 1 0 KKAFMO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000096909811 562799745 /nfs/dbraw/zinc/79/97/45/562799745.db2.gz GWTGUGUODHYXIX-QFIPXVFZSA-N 1 1 531.454 5.434 1 0 KKAFMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000096922113 562801657 /nfs/dbraw/zinc/80/16/57/562801657.db2.gz RKHLUIULTYXGQL-CWTKIQHKSA-N 1 1 605.764 5.796 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923972 562802163 /nfs/dbraw/zinc/80/21/63/562802163.db2.gz PLLWOIRCBAIRMF-SSEXGKCCSA-N 1 1 567.199 5.532 1 0 KKAFMO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1/C=C/c1ccc(C[NH2+]CCS(C)(=O)=O)o1 ZINC000096928288 562802846 /nfs/dbraw/zinc/80/28/46/562802846.db2.gz OYABZIPDNINJFK-MDZDMXLPSA-N 1 1 571.074 5.798 1 0 KKAFMO CCOc1cc(N)c(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096928310 562802882 /nfs/dbraw/zinc/80/28/82/562802882.db2.gz KUMUCDJXWXYHEV-UHFFFAOYSA-N 1 1 646.163 6.291 1 0 KKAFMO COc1ccc(SC[C@]2(O)C=C(CC(F)(F)F)C(=O)N2CCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000096939395 562804766 /nfs/dbraw/zinc/80/47/66/562804766.db2.gz QZNHGWSPRKOMAV-XMMPIXPASA-N 1 1 537.991 5.511 1 0 KKAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(NC3CCCC3)c2C)c(=O)[nH]1 ZINC000098186091 562805924 /nfs/dbraw/zinc/80/59/24/562805924.db2.gz DGBPIHCECSLSPM-UHFFFAOYSA-N 1 1 528.697 5.084 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076229 562806620 /nfs/dbraw/zinc/80/66/20/562806620.db2.gz KEMAKHVGQXKNSZ-RLPLKTQASA-N 1 1 554.739 5.701 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C(C)C)C2 ZINC000100076414 562806670 /nfs/dbraw/zinc/80/66/70/562806670.db2.gz VNEIBFASYIAQIK-CSSKISATSA-N 1 1 582.793 6.337 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101143958 562809456 /nfs/dbraw/zinc/80/94/56/562809456.db2.gz IZTNHWMAUPLTML-LAKWIPNFSA-N 1 1 510.037 5.676 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(Cc2ncc[nH]2)CC1 ZINC000101193291 562809815 /nfs/dbraw/zinc/80/98/15/562809815.db2.gz IOYLAJJIHILCGL-KUMHGWDASA-N 1 1 508.714 5.860 1 0 KKAFMO O[C@H](COc1cccc2ncccc21)C[NH+]1CCN(C2c3ccccc3[C@H]3[C@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101266372 562810078 /nfs/dbraw/zinc/81/00/78/562810078.db2.gz ISHQZWGKIWGKBX-NRAUDTLTSA-N 1 1 560.525 5.750 1 0 KKAFMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(C(F)(F)F)cc1 ZINC000101338102 562810364 /nfs/dbraw/zinc/81/03/64/562810364.db2.gz FLAHASYXGZSGHY-XYLBCIRHSA-N 1 1 538.601 5.800 1 0 KKAFMO CNC(=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 ZINC000101511139 562811142 /nfs/dbraw/zinc/81/11/42/562811142.db2.gz PQNRXPGROMBFLT-AXMAENODSA-N 1 1 611.781 6.702 1 0 KKAFMO O=c1c(=O)c(NCCCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCCCNc1ccnc2cc(Cl)ccc21 ZINC000101702640 562811994 /nfs/dbraw/zinc/81/19/94/562811994.db2.gz FSVYXYNWPRBIEB-UHFFFAOYSA-N 1 1 577.516 6.294 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3SC=C(C)N3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929157 562813550 /nfs/dbraw/zinc/81/35/50/562813550.db2.gz SOIKWGFTIHYYLR-UGWFNERFSA-N 1 1 519.667 5.715 1 0 KKAFMO O=c1c(=O)c(N2CCC(Nc3cc[nH+]c4cc(Cl)ccc34)CC2)c1N1CCC(Nc2ccnc3cc(Cl)ccc32)CC1 ZINC000103149139 562814507 /nfs/dbraw/zinc/81/45/07/562814507.db2.gz TUABENVIOXSSIT-UHFFFAOYSA-N 1 1 601.538 5.848 1 0 KKAFMO Cc1nc2ccncc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224988 562817604 /nfs/dbraw/zinc/81/76/04/562817604.db2.gz KUYHSTQINAUJNF-GWMMUDDPSA-N 1 1 529.710 5.060 1 0 KKAFMO COc1cc(C(=O)N(C(C)C)[C@H]2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225477 562817721 /nfs/dbraw/zinc/81/77/21/562817721.db2.gz WZPLUDMRNMXVNI-DEOSSOPVSA-N 1 1 514.592 5.723 1 0 KKAFMO COc1cc(C(=O)N(C(C)C)[C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225477 562817722 /nfs/dbraw/zinc/81/77/22/562817722.db2.gz WZPLUDMRNMXVNI-DEOSSOPVSA-N 1 1 514.592 5.723 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227171 562817884 /nfs/dbraw/zinc/81/78/84/562817884.db2.gz CVHWQXDNAXTQFI-QODLHPCFSA-N 1 1 548.722 6.802 1 0 KKAFMO Clc1ccccc1C(c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Br)cn1)C2 ZINC000103228800 562818066 /nfs/dbraw/zinc/81/80/66/562818066.db2.gz PACSMIQKJYSAAX-GGPHIMKMSA-N 1 1 502.283 7.651 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103234831 562818684 /nfs/dbraw/zinc/81/86/84/562818684.db2.gz WBMRGUYVKHMYAF-GPOLMCQNSA-N 1 1 581.632 7.816 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234826 562818694 /nfs/dbraw/zinc/81/86/94/562818694.db2.gz DOGFRBKPJABURT-WLNZHLEZSA-N 1 1 601.622 8.084 1 0 KKAFMO C[N@@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2[C@@H]1C(C)(C)C ZINC000103239111 562819283 /nfs/dbraw/zinc/81/92/83/562819283.db2.gz GHKPMDDCMGRGGC-JOCHJYFZSA-N 1 1 500.521 6.949 1 0 KKAFMO C[N@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2[C@@H]1C(C)(C)C ZINC000103239111 562819284 /nfs/dbraw/zinc/81/92/84/562819284.db2.gz GHKPMDDCMGRGGC-JOCHJYFZSA-N 1 1 500.521 6.949 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccccc3)N2c2ccc(-c3ccccn3)cc2)CC1 ZINC000103240440 562819442 /nfs/dbraw/zinc/81/94/42/562819442.db2.gz BVLCELFVCZYGBZ-UUWRZZSWSA-N 1 1 587.772 5.183 1 0 KKAFMO CC(C)(C)CC[N@H+]1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000103261483 562821394 /nfs/dbraw/zinc/82/13/94/562821394.db2.gz RPZBTBIEZRHXHF-MHZLTWQESA-N 1 1 518.624 5.099 1 0 KKAFMO Nc1ccc(S(=O)(=O)N(CCCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2ccc(Cl)nn2)cc1 ZINC000103276503 562823208 /nfs/dbraw/zinc/82/32/08/562823208.db2.gz OVFWTFZODCKJQK-SSEXGKCCSA-N 1 1 611.599 5.358 1 0 KKAFMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc(-c2ccc(-c3ccccc3)cc2)[nH]1)C(=O)NCc1ccccc1 ZINC000103298035 562824682 /nfs/dbraw/zinc/82/46/82/562824682.db2.gz RETCJQQQWQAHTD-WEZIJMHWSA-N 1 1 582.708 5.139 1 0 KKAFMO CC[N@@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccc(OC)cc1 ZINC000103299668 562824889 /nfs/dbraw/zinc/82/48/89/562824889.db2.gz YBLRBPIBVJGKEZ-ZHACJKMWSA-N 1 1 503.683 7.344 1 0 KKAFMO C[NH+](C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cn1 ZINC000114034125 562826970 /nfs/dbraw/zinc/82/69/70/562826970.db2.gz LHVJVPSGSVDRBP-UHFFFAOYSA-N 1 1 520.008 6.105 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000114038546 562827314 /nfs/dbraw/zinc/82/73/14/562827314.db2.gz JSXXVOCOSFUPBA-UHFFFAOYSA-N 1 1 516.016 7.332 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114100346 562827696 /nfs/dbraw/zinc/82/76/96/562827696.db2.gz JEGSASNANGFZSV-MUUNZHRXSA-N 1 1 524.105 5.432 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114100346 562827697 /nfs/dbraw/zinc/82/76/97/562827697.db2.gz JEGSASNANGFZSV-MUUNZHRXSA-N 1 1 524.105 5.432 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101241 562827796 /nfs/dbraw/zinc/82/77/96/562827796.db2.gz GBELKCLUWOPVDY-HHHXNRCGSA-N 1 1 524.105 5.432 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101241 562827797 /nfs/dbraw/zinc/82/77/97/562827797.db2.gz GBELKCLUWOPVDY-HHHXNRCGSA-N 1 1 524.105 5.432 1 0 KKAFMO O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccnc1 ZINC000114981066 562828634 /nfs/dbraw/zinc/82/86/34/562828634.db2.gz ZAPVWTHLWAWRAE-MHZLTWQESA-N 1 1 547.080 6.032 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C[NH+](C)C)c3)c3ccccc23)cc1 ZINC000118825328 562830766 /nfs/dbraw/zinc/83/07/66/562830766.db2.gz OBALKFHHXFROHH-UHFFFAOYSA-N 1 1 605.743 6.750 1 0 KKAFMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136325 562831766 /nfs/dbraw/zinc/83/17/66/562831766.db2.gz GDUDKPKEAIDYRX-DEOSSOPVSA-N 1 1 523.958 5.537 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529327 562832020 /nfs/dbraw/zinc/83/20/20/562832020.db2.gz IPQMMHOXXCGSDM-FDFHNCONSA-N 1 1 571.471 6.298 1 0 KKAFMO CCCCCCOc1ccc(C(=O)NCCC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C\c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000138610744 562832096 /nfs/dbraw/zinc/83/20/96/562832096.db2.gz QOUPAVXNDDTMQS-JCMCFYGESA-N 1 1 630.701 8.174 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928460 562832275 /nfs/dbraw/zinc/83/22/75/562832275.db2.gz YTHUQGIGAIZNIM-GDLZYMKVSA-N 1 1 519.653 5.078 1 0 KKAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4sccc4c3=O)Cc3cccnc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139593134 562832641 /nfs/dbraw/zinc/83/26/41/562832641.db2.gz CBJBDCXJQSNMSZ-UHFFFAOYSA-N 1 1 601.773 5.093 1 0 KKAFMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(C(F)(F)F)c2)CC1 ZINC000140498824 562833105 /nfs/dbraw/zinc/83/31/05/562833105.db2.gz HGBVOBYWCCNENZ-NRFANRHFSA-N 1 1 564.693 5.913 1 0 KKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140570420 562833153 /nfs/dbraw/zinc/83/31/53/562833153.db2.gz BFYZNAOKDWKLBO-ZEQKJWHPSA-N 1 1 584.683 5.616 1 0 KKAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccc6ccccc6c5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685213 562833272 /nfs/dbraw/zinc/83/32/72/562833272.db2.gz ZMFQMLNWUFCHEL-OUTSHDOLSA-N 1 1 604.717 6.581 1 0 KKAFMO COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2c1CO ZINC000143020017 562834512 /nfs/dbraw/zinc/83/45/12/562834512.db2.gz WYKHGGZTSNAFCH-UHFFFAOYSA-N 1 1 608.653 5.402 1 0 KKAFMO COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2c1CO ZINC000143020017 562834513 /nfs/dbraw/zinc/83/45/13/562834513.db2.gz WYKHGGZTSNAFCH-UHFFFAOYSA-N 1 1 608.653 5.402 1 0 KKAFMO O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(C=Cc3ccc(C[N@H+]4C[C@H]5CC[C@@H](C4)O5)cc3)n[nH]c2c1 ZINC000144988755 562836867 /nfs/dbraw/zinc/83/68/67/562836867.db2.gz YALNTNHNYWBMSS-PCDKWPIOSA-N 1 1 502.618 5.474 1 0 KKAFMO O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(C=Cc3ccc(C[N@@H+]4C[C@H]5CC[C@@H](C4)O5)cc3)n[nH]c2c1 ZINC000144988755 562836868 /nfs/dbraw/zinc/83/68/68/562836868.db2.gz YALNTNHNYWBMSS-PCDKWPIOSA-N 1 1 502.618 5.474 1 0 KKAFMO NC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(OC(=O)C[NH3+])CC1 ZINC000145549137 562837386 /nfs/dbraw/zinc/83/73/86/562837386.db2.gz ASGXGJAAAOIZHR-UHFFFAOYSA-N 1 1 545.643 5.441 1 0 KKAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3cccc(C[NH+]4CCN(C)CC4)c3)ncc2C1 ZINC000146196581 562838305 /nfs/dbraw/zinc/83/83/05/562838305.db2.gz HJRJXYSRPDUZLG-UHFFFAOYSA-N 1 1 615.704 6.110 1 0 KKAFMO CCN(CC)C(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@@H]4CCN(C)C4)CC3)n2)C1 ZINC000146360983 562838502 /nfs/dbraw/zinc/83/85/02/562838502.db2.gz JLMVLYYCQLMTCP-VSGBNLITSA-N 1 1 603.881 5.295 1 0 KKAFMO CCCCC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147070431 562839152 /nfs/dbraw/zinc/83/91/52/562839152.db2.gz ZFLZYDMLKYMRQF-RFHZMROGSA-N 1 1 608.582 5.255 1 0 KKAFMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc4[nH]nc(-c5ccc6c(c5)CCO6)c4c3)C2)c2ccccc21 ZINC000147816523 562839707 /nfs/dbraw/zinc/83/97/07/562839707.db2.gz RGTYBJZXIVQKPF-XMMPIXPASA-N 1 1 505.622 5.051 1 0 KKAFMO Cc1ccc(C(=O)Nc2cc(N3CCC[N@@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N(C)CCF)nc21 ZINC000148332925 562841073 /nfs/dbraw/zinc/84/10/73/562841073.db2.gz BOFICKPACSIRRH-UHFFFAOYSA-N 1 1 611.648 5.291 1 0 KKAFMO COc1ccccc1C[N@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148627140 562841569 /nfs/dbraw/zinc/84/15/69/562841569.db2.gz VKAMGQWMKDQIKE-QHCPKHFHSA-N 1 1 501.067 5.407 1 0 KKAFMO COc1cc(N2CCC([N@H+]3CCCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148746904 562841741 /nfs/dbraw/zinc/84/17/41/562841741.db2.gz ZRFJCNOHKKQRSS-UHFFFAOYSA-N 1 1 598.132 5.480 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148918327 562841962 /nfs/dbraw/zinc/84/19/62/562841962.db2.gz ZVSHOKHGHLZZBD-MHZLTWQESA-N 1 1 524.149 5.944 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148918111 562841978 /nfs/dbraw/zinc/84/19/78/562841978.db2.gz ZVSHOKHGHLZZBD-HHHXNRCGSA-N 1 1 524.149 5.944 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148903944 562841982 /nfs/dbraw/zinc/84/19/82/562841982.db2.gz IQTYJAHMASNGFY-SANMLTNESA-N 1 1 510.122 5.554 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150613621 562848750 /nfs/dbraw/zinc/84/87/50/562848750.db2.gz OWUNWYFBVXAWFX-UPMUHZMGSA-N 1 1 639.789 7.179 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616939 562848819 /nfs/dbraw/zinc/84/88/19/562848819.db2.gz QWLVQDXAULJUAE-UMHBLLGCSA-N 1 1 708.003 5.437 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc(C3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000164264211 562849564 /nfs/dbraw/zinc/84/95/64/562849564.db2.gz XSEVYTLMGKEOPK-UHFFFAOYSA-N 1 1 683.850 5.790 1 0 KKAFMO CCc1cnn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12 ZINC000166990161 562850577 /nfs/dbraw/zinc/85/05/77/562850577.db2.gz XNCUFLXRSAOSJW-UHFFFAOYSA-N 1 1 526.648 5.714 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167102230 562850681 /nfs/dbraw/zinc/85/06/81/562850681.db2.gz ZIPFRMHEGAPZQI-UHFFFAOYSA-N 1 1 549.589 5.133 1 0 KKAFMO Cc1cccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nc6ncc(Br)n6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1 ZINC000167232249 562850698 /nfs/dbraw/zinc/85/06/98/562850698.db2.gz XXMDMGCWKMTCOF-UHFFFAOYSA-N 1 1 623.534 6.833 1 0 KKAFMO Cc1cccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6ncc(Br)n6cc5-c5ccc(F)cc5)cc4)CC3)n2)n1 ZINC000167232249 562850699 /nfs/dbraw/zinc/85/06/99/562850699.db2.gz XXMDMGCWKMTCOF-UHFFFAOYSA-N 1 1 623.534 6.833 1 0 KKAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12 ZINC000167899761 562851123 /nfs/dbraw/zinc/85/11/23/562851123.db2.gz PPGINRHLMQBZPR-UHFFFAOYSA-N 1 1 592.610 5.216 1 0 KKAFMO O=C(N[C@H]1CC[C@H](NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3C[N@H+]3CCCOCC3)c2)CC1)c1cn2cc(F)ccc2n1 ZINC000167987511 562851205 /nfs/dbraw/zinc/85/12/05/562851205.db2.gz ZNOLBJWRZRPJPY-ISILISOKSA-N 1 1 696.755 5.866 1 0 KKAFMO COC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000168591424 562851513 /nfs/dbraw/zinc/85/15/13/562851513.db2.gz AXKWBZSPHKLLMP-SSEXGKCCSA-N 1 1 614.678 5.718 1 0 KKAFMO COC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000168591424 562851514 /nfs/dbraw/zinc/85/15/14/562851514.db2.gz AXKWBZSPHKLLMP-SSEXGKCCSA-N 1 1 614.678 5.718 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000169290850 562851828 /nfs/dbraw/zinc/85/18/28/562851828.db2.gz HMYAEJVTRKONJY-FYYLOGMGSA-N 1 1 512.663 5.622 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317499 562855960 /nfs/dbraw/zinc/85/59/60/562855960.db2.gz AJUAJKZVPJDBSA-RDGATRHJSA-N 1 1 538.404 6.350 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3cccc(Cl)c3)n2)CC1 ZINC000169323773 562857205 /nfs/dbraw/zinc/85/72/05/562857205.db2.gz CZJZEMLXNAENNT-UHFFFAOYSA-N 1 1 586.531 7.099 1 0 KKAFMO O[C@H](c1ccccc1)[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330919 562858818 /nfs/dbraw/zinc/85/88/18/562858818.db2.gz KTWPPHPCLMIACC-ROJLCIKYSA-N 1 1 513.081 6.512 1 0 KKAFMO Cc1ccc(C)c(N2CC[NH+](CCOC(=O)c3ccccc3Nc3ccnc4cc(Cl)ccc43)CC2)c1 ZINC000169333338 562859266 /nfs/dbraw/zinc/85/92/66/562859266.db2.gz FFRKDEDMCSVDHW-UHFFFAOYSA-N 1 1 515.057 6.228 1 0 KKAFMO COc1ccc([C@H]2[C@H]3c4c(=O)[nH]c5ccccc5c4OC(C)(C)[C@H]3[C@@H]2C2CC2)cc1OCCC[NH+]1CCOCC1 ZINC000169334522 562859525 /nfs/dbraw/zinc/85/95/25/562859525.db2.gz CXGYFAOORWENRE-LWFIHPCQSA-N 1 1 544.692 5.332 1 0 KKAFMO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2c(ncn2C)c(Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000169341143 562860693 /nfs/dbraw/zinc/86/06/93/562860693.db2.gz MDGYCIINQNAPKG-UHFFFAOYSA-N 1 1 616.770 6.020 1 0 KKAFMO C[C@@H](C(=O)Nc1nc([C@@H](CC[N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000169355568 562863743 /nfs/dbraw/zinc/86/37/43/562863743.db2.gz JWKLHPJIQARGDH-ZDTSNOQFSA-N 1 1 740.814 9.020 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](CCc1ccc(F)c(F)c1)[N@@H+]([C@@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000169369339 562864711 /nfs/dbraw/zinc/86/47/11/562864711.db2.gz MGTLLLVBSOYCAX-POURPWNDSA-N 1 1 520.620 5.782 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](CCc1ccc(F)c(F)c1)[N@H+]([C@@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000169369339 562864712 /nfs/dbraw/zinc/86/47/12/562864712.db2.gz MGTLLLVBSOYCAX-POURPWNDSA-N 1 1 520.620 5.782 1 0 KKAFMO C[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703684 562868874 /nfs/dbraw/zinc/86/88/74/562868874.db2.gz GYLDXHXMWUNLIQ-VWLOTQADSA-N 1 1 523.056 5.045 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000195515666 562872115 /nfs/dbraw/zinc/87/21/15/562872115.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000195515666 562872116 /nfs/dbraw/zinc/87/21/16/562872116.db2.gz VUZCEBRTLDDSDP-WDYNHAJCSA-N 1 1 606.719 6.874 1 0 KKAFMO CC[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nn(C)cc5c4)c3c2)C1 ZINC000199802497 562873096 /nfs/dbraw/zinc/87/30/96/562873096.db2.gz CTHQUTHHHNLCMC-AVRDEDQJSA-N 1 1 528.607 5.078 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000203981706 562874192 /nfs/dbraw/zinc/87/41/92/562874192.db2.gz YCMKHGJPSLBGGP-VNXZQDSDSA-N 1 1 550.099 6.306 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000203989506 562874250 /nfs/dbraw/zinc/87/42/50/562874250.db2.gz LKIXDAQTHJLSEQ-SFHVURJKSA-N 1 1 505.981 5.669 1 0 KKAFMO C[NH+](C)CC1CCN(c2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000203989904 562874348 /nfs/dbraw/zinc/87/43/48/562874348.db2.gz TZVPZVKVXMKDAN-UHFFFAOYSA-N 1 1 510.053 6.551 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)c(-c3cccc(F)c3)cn2n1 ZINC000205498091 562875495 /nfs/dbraw/zinc/87/54/95/562875495.db2.gz GCJCQSSPFSLDDY-UHFFFAOYSA-N 1 1 559.653 5.774 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)c(-c3cccc(F)c3)cn2n1 ZINC000205498091 562875496 /nfs/dbraw/zinc/87/54/96/562875496.db2.gz GCJCQSSPFSLDDY-UHFFFAOYSA-N 1 1 559.653 5.774 1 0 KKAFMO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000210243244 562876982 /nfs/dbraw/zinc/87/69/82/562876982.db2.gz LRHWVHHPVYFCIX-MHZLTWQESA-N 1 1 592.666 6.093 1 0 KKAFMO CCC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCC[NH+]4CCC(CC5Cc6cc(OC)c(OC)cc6C5)CC4)c3[C@H](C1)C2 ZINC000210212728 562876988 /nfs/dbraw/zinc/87/69/88/562876988.db2.gz PGEVOJWBZHSHAR-LITSAYRRSA-N 1 1 600.247 8.221 1 0 KKAFMO Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH+]2CCOCC2)CC3)c1 ZINC000220409407 562878422 /nfs/dbraw/zinc/87/84/22/562878422.db2.gz DMFRKDSEFMYWEH-AZGAKELHSA-N 1 1 614.797 5.389 1 0 KKAFMO COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+]3CCOCC3)CC4)c2)cc1Cl ZINC000220424708 562878510 /nfs/dbraw/zinc/87/85/10/562878510.db2.gz UYHHJMNDQMIRKK-WIOPSUGQSA-N 1 1 581.138 5.224 1 0 KKAFMO CC(C)(C)c1ccc(CC2([N@H+]3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)CC2)cc1 ZINC000224830347 562880546 /nfs/dbraw/zinc/88/05/46/562880546.db2.gz ABLJJGMUTNKNPJ-UHFFFAOYSA-N 1 1 602.860 8.570 1 0 KKAFMO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253632384 562881960 /nfs/dbraw/zinc/88/19/60/562881960.db2.gz BEOPGQZLRRYYIV-HKUDGXTOSA-N 1 1 501.711 5.925 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(C)c(Cl)cc34)cc2)c1C ZINC000299825320 562883502 /nfs/dbraw/zinc/88/35/02/562883502.db2.gz BXJRGWPXDMUJRE-UHFFFAOYSA-N 1 1 575.113 5.106 1 0 KKAFMO CN1CC[NH+](CCCn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(=O)c3cc(C(C)(C)C)ccc32)CC1 ZINC000299828749 562884590 /nfs/dbraw/zinc/88/45/90/562884590.db2.gz HEHOAGIEPHGJOX-UHFFFAOYSA-N 1 1 516.730 5.486 1 0 KKAFMO O=C(NCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299830020 562885055 /nfs/dbraw/zinc/88/50/55/562885055.db2.gz NOBALTDRZBHVTJ-UHFFFAOYSA-N 1 1 610.589 8.226 1 0 KKAFMO Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299840595 562888564 /nfs/dbraw/zinc/88/85/64/562888564.db2.gz VMXTWHCDROGRNY-HZCBDIJESA-N 1 1 615.159 6.929 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c3ccccc32)cc1F ZINC000299840709 562888634 /nfs/dbraw/zinc/88/86/34/562888634.db2.gz YXTDAIMAMYMKCT-UHFFFAOYSA-N 1 1 693.707 6.366 1 0 KKAFMO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299855888 562891819 /nfs/dbraw/zinc/89/18/19/562891819.db2.gz HANLZSRTUUMFHK-UHFFFAOYSA-N 1 1 543.042 5.972 1 0 KKAFMO Cc1ccc(N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859469 562892709 /nfs/dbraw/zinc/89/27/09/562892709.db2.gz XTAWWFMNDKGXAZ-QFIPXVFZSA-N 1 1 512.044 6.170 1 0 KKAFMO COc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)ccc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299862840 562893694 /nfs/dbraw/zinc/89/36/94/562893694.db2.gz KCGNECXNOLZZEK-DHUJRADRSA-N 1 1 705.812 5.588 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299864374 562894106 /nfs/dbraw/zinc/89/41/06/562894106.db2.gz MIKYLDUBUPGRFI-UHFFFAOYSA-N 1 1 587.765 5.483 1 0 KKAFMO CCC[N@@H+](CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2 ZINC000299870347 562895483 /nfs/dbraw/zinc/89/54/83/562895483.db2.gz WCZVRYOCPPENFW-UHFFFAOYSA-N 1 1 572.835 6.368 1 0 KKAFMO [NH2+]=c1n(CCCCCCCCCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1Cc1ccccc1 ZINC000377444186 562895885 /nfs/dbraw/zinc/89/58/85/562895885.db2.gz FDHLYMQIZAQMTN-UHFFFAOYSA-N 1 1 536.720 7.168 1 0 KKAFMO Cc1ccccc1-c1nc2ncccn2c1CN1CC[NH+](Cc2c(-c3ccccc3C)nc3ncccn23)CC1 ZINC000473082935 562896735 /nfs/dbraw/zinc/89/67/35/562896735.db2.gz AKIYKRHAZCIYFG-UHFFFAOYSA-N 1 1 528.664 5.041 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085561 562896970 /nfs/dbraw/zinc/89/69/70/562896970.db2.gz XWFQGERKWZAILQ-HHHXNRCGSA-N 1 1 606.908 6.167 1 0 KKAFMO CCCCCC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086939 562897131 /nfs/dbraw/zinc/89/71/31/562897131.db2.gz DKSHOXGORCHPFY-LJAQVGFWSA-N 1 1 543.708 5.681 1 0 KKAFMO CCCCCC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086939 562897132 /nfs/dbraw/zinc/89/71/32/562897132.db2.gz DKSHOXGORCHPFY-LJAQVGFWSA-N 1 1 543.708 5.681 1 0 KKAFMO O=S(=O)(c1ccc(-c2ccc3c(Nc4ccc(OCc5ccccc5)c(Cl)c4)cc[nH+]c3c2)cc1)N1CCOCC1 ZINC000473089792 562897441 /nfs/dbraw/zinc/89/74/41/562897441.db2.gz MALHDZXBROZHNK-UHFFFAOYSA-N 1 1 586.113 6.899 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NCCCC(=O)OC(C)(C)C)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094817 562897798 /nfs/dbraw/zinc/89/77/98/562897798.db2.gz WHVXVHKHGIXKRO-SSEXGKCCSA-N 1 1 587.761 5.696 1 0 KKAFMO COc1cc2oc(-c3cccc(OCCC[NH+]4CCN(Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112686 562898712 /nfs/dbraw/zinc/89/87/12/562898712.db2.gz GAWXAFIVBQBBPY-UHFFFAOYSA-N 1 1 544.648 5.073 1 0 KKAFMO CC[N@@H+](CCCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473114982 562898975 /nfs/dbraw/zinc/89/89/75/562898975.db2.gz QBYCNPOCPXMJCE-UHFFFAOYSA-N 1 1 533.621 5.873 1 0 KKAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C[N@H+](C1CCOCC1)CCC2 ZINC000473129040 562899983 /nfs/dbraw/zinc/89/99/83/562899983.db2.gz DZDHTEOJHDYEPP-UHFFFAOYSA-N 1 1 586.158 5.157 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473135747 562900849 /nfs/dbraw/zinc/90/08/49/562900849.db2.gz KGNKSXKSIILYTN-UHFFFAOYSA-N 1 1 585.726 5.666 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473135747 562900850 /nfs/dbraw/zinc/90/08/50/562900850.db2.gz KGNKSXKSIILYTN-UHFFFAOYSA-N 1 1 585.726 5.666 1 0 KKAFMO O=C(NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1O)c1cc2ccccc2cc1OCCC[NH+]1CCOCC1 ZINC000473135865 562900859 /nfs/dbraw/zinc/90/08/59/562900859.db2.gz URDOYOPOUKZUFR-UHFFFAOYSA-N 1 1 668.190 6.904 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc1)CC2 ZINC000473136635 562901070 /nfs/dbraw/zinc/90/10/70/562901070.db2.gz TWNDUKAXRORGCW-UHFFFAOYSA-N 1 1 711.862 6.141 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)cc1)CC2 ZINC000473136931 562901140 /nfs/dbraw/zinc/90/11/40/562901140.db2.gz VHSIZNGXONZADW-UHFFFAOYSA-N 1 1 606.144 6.011 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)cc1)CC2 ZINC000473136931 562901141 /nfs/dbraw/zinc/90/11/41/562901141.db2.gz VHSIZNGXONZADW-UHFFFAOYSA-N 1 1 606.144 6.011 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901752 /nfs/dbraw/zinc/90/17/52/562901752.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N 1 1 556.509 6.943 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901753 /nfs/dbraw/zinc/90/17/53/562901753.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N 1 1 556.509 6.943 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473152134 562901762 /nfs/dbraw/zinc/90/17/62/562901762.db2.gz RSKJDTLFUJLASQ-HSQYWUDLSA-N 1 1 554.518 5.966 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473152134 562901763 /nfs/dbraw/zinc/90/17/63/562901763.db2.gz RSKJDTLFUJLASQ-HSQYWUDLSA-N 1 1 554.518 5.966 1 0 KKAFMO C[N@@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159082 562902566 /nfs/dbraw/zinc/90/25/66/562902566.db2.gz FSMBHEMODIQLKR-CYWCHRQTSA-N 1 1 542.507 5.824 1 0 KKAFMO C[N@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159082 562902567 /nfs/dbraw/zinc/90/25/67/562902567.db2.gz FSMBHEMODIQLKR-CYWCHRQTSA-N 1 1 542.507 5.824 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CC[NH+](C)C)CC1 ZINC000473165008 562902859 /nfs/dbraw/zinc/90/28/59/562902859.db2.gz PGRTWGQMJVASGN-IRJFHVNHSA-N 1 1 500.470 6.461 1 0 KKAFMO CC[NH+](CC)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473179790 562903466 /nfs/dbraw/zinc/90/34/66/562903466.db2.gz ZRPFSBHZCDWUQX-XGAFWQRZSA-N 1 1 514.497 6.851 1 0 KKAFMO CS(=O)(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473199389 562903809 /nfs/dbraw/zinc/90/38/09/562903809.db2.gz ZYJYRDUUQUUHGU-IRJFHVNHSA-N 1 1 532.081 5.292 1 0 KKAFMO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215228 562903990 /nfs/dbraw/zinc/90/39/90/562903990.db2.gz BZMOGJLZFBFHTP-VVCLTAMYSA-N 1 1 605.849 7.084 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4ccc(I)cc4)n[nH]3)ccc21 ZINC000474604840 562905280 /nfs/dbraw/zinc/90/52/80/562905280.db2.gz FJZSGHHWJPMQFZ-MHZLTWQESA-N 1 1 568.434 5.998 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4ccc(I)cc4)n3)ccc21 ZINC000474604840 562905281 /nfs/dbraw/zinc/90/52/81/562905281.db2.gz FJZSGHHWJPMQFZ-MHZLTWQESA-N 1 1 568.434 5.998 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(OCC(F)(F)F)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474603974 562905304 /nfs/dbraw/zinc/90/53/04/562905304.db2.gz DGTVDNUZDDIIKA-RUZDIDTESA-N 1 1 528.571 5.103 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(OCC(F)(F)F)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474603974 562905305 /nfs/dbraw/zinc/90/53/05/562905305.db2.gz DGTVDNUZDDIIKA-RUZDIDTESA-N 1 1 528.571 5.103 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(OCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609349 562905622 /nfs/dbraw/zinc/90/56/22/562905622.db2.gz PWAYIZWCGQNUMX-WJOKGBTCSA-N 1 1 536.672 5.741 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(OCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609349 562905623 /nfs/dbraw/zinc/90/56/23/562905623.db2.gz PWAYIZWCGQNUMX-WJOKGBTCSA-N 1 1 536.672 5.741 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653723531 562908878 /nfs/dbraw/zinc/90/88/78/562908878.db2.gz KXTZGBPADOSZJP-UHFFFAOYSA-N 1 1 709.174 7.486 1 0 KKAFMO CC[N@@H+](CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1 ZINC000653726554 562909147 /nfs/dbraw/zinc/90/91/47/562909147.db2.gz KPFCJNLUZOESQR-CCEZHUSRSA-N 1 1 530.709 6.452 1 0 KKAFMO CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)OC)C2 ZINC000653733700 562909568 /nfs/dbraw/zinc/90/95/68/562909568.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 1 1 616.850 6.967 1 0 KKAFMO CC[C@]12CCCN3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)OC)C2 ZINC000653733700 562909569 /nfs/dbraw/zinc/90/95/69/562909569.db2.gz MDZYXNZXKWVOCG-DHNVORSVSA-N 1 1 616.850 6.967 1 0 KKAFMO CC[N@@H+](CCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653737777 562909898 /nfs/dbraw/zinc/90/98/98/562909898.db2.gz XZVHAKZSJNIPNI-VAWYXSNFSA-N 1 1 518.654 5.290 1 0 KKAFMO CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)CC[C@](C)(OC(=O)C[NH2+]CC(C)C)[C@@]13OC2(C)C ZINC000653740488 562910139 /nfs/dbraw/zinc/91/01/39/562910139.db2.gz WSBDWFLNRWLXNZ-BCJKPQACSA-N 1 1 733.855 5.226 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3)c2=O)cc1F ZINC000653745740 562910363 /nfs/dbraw/zinc/91/03/63/562910363.db2.gz PHYASQQLYQAEBU-UHFFFAOYSA-N 1 1 722.217 7.401 1 0 KKAFMO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[NH+](CCN7CCOCC7)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653752851 562910719 /nfs/dbraw/zinc/91/07/19/562910719.db2.gz AHMGIBDZNJAKJJ-SANMLTNESA-N 1 1 618.786 5.591 1 0 KKAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[N@H+]3CCC3(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762369 562911383 /nfs/dbraw/zinc/91/13/83/562911383.db2.gz LOHICRSBJGVWJA-UHFFFAOYSA-N 1 1 543.067 6.348 1 0 KKAFMO Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CC[NH+](C)CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653775781 562911932 /nfs/dbraw/zinc/91/19/32/562911932.db2.gz HEQJQLCYFIYPDS-IBGZPJMESA-N 1 1 522.682 5.444 1 0 KKAFMO COc1cc2ncnc(Nc3cccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000653806038 562913686 /nfs/dbraw/zinc/91/36/86/562913686.db2.gz CAGIQISZZASCGO-UHFFFAOYSA-N 1 1 571.722 5.182 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5C[C@@H](C)[NH2+][C@@H](C)C5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653825389 562914401 /nfs/dbraw/zinc/91/44/01/562914401.db2.gz JZMMRIIMJLFYOI-XHSDSOJGSA-N 1 1 536.467 6.135 1 0 KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCCC3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532550 565137934 /nfs/dbraw/zinc/13/79/34/565137934.db2.gz FAWPFHPFLPUORN-MYWNISLOSA-N 1 1 617.871 8.001 1 0 biogenic,in-vitro KKAFMO COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085900422 565170429 /nfs/dbraw/zinc/17/04/29/565170429.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085900422 565170438 /nfs/dbraw/zinc/17/04/38/565170438.db2.gz KHGZQWZWPVXXTQ-LOYHVIPDSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COc1c2ccoc2c(OC)c2oc(CN3CCC(CCC4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000003914915 561684524 /nfs/dbraw/zinc/68/45/24/561684524.db2.gz HCFRDIQDIRFUIF-UHFFFAOYSA-N 1 1 712.796 7.331 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000003933414 561688059 /nfs/dbraw/zinc/68/80/59/561688059.db2.gz NZPBORMKRQQWNV-ONTRIGRTSA-N 1 1 536.760 6.764 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000003981614 561692541 /nfs/dbraw/zinc/69/25/41/561692541.db2.gz SBVKGMUDJCJZJQ-JQTPODDPSA-N 1 1 612.792 7.142 1 0 KKAFMO COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716053 561702931 /nfs/dbraw/zinc/70/29/31/561702931.db2.gz LKRNZKIENIKMKS-SFHVURJKSA-N 1 1 562.026 6.451 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585191 561705824 /nfs/dbraw/zinc/70/58/24/561705824.db2.gz OIYZVIZIRLVDIJ-OWGSQAEBSA-N 1 1 573.699 8.561 1 0 KKAFMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597791 561706218 /nfs/dbraw/zinc/70/62/18/561706218.db2.gz BXFWXAHHGFPRIK-UHFFFAOYSA-N 1 1 571.766 5.782 1 0 KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679903 561706878 /nfs/dbraw/zinc/70/68/78/561706878.db2.gz KJOIRNUOPVSAQC-YWXNZHFBSA-N 1 1 585.713 10.061 3 0 KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679915 561706887 /nfs/dbraw/zinc/70/68/87/561706887.db2.gz KBSMGRBHVBYBIY-ZCGWPHLNSA-N 1 1 515.663 8.774 1 0 KKAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@@H](C)C[N@@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553290 561718269 /nfs/dbraw/zinc/71/82/69/561718269.db2.gz XDMMCTICBNVRHD-FQEVSTJZSA-N 1 1 519.592 5.014 1 0 KKAFMO COc1ccc([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661269 561723600 /nfs/dbraw/zinc/72/36/00/561723600.db2.gz BVLUFAKPRYIHIB-GJZUVCINSA-N 1 1 527.661 6.740 3 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781683 561729439 /nfs/dbraw/zinc/72/94/39/561729439.db2.gz TUGILCFBIODMPH-MHZLTWQESA-N 1 1 512.716 5.812 1 0 KKAFMO COc1ccc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013813864 561731996 /nfs/dbraw/zinc/73/19/96/561731996.db2.gz KENWXTARKXNQII-XMMPIXPASA-N 1 1 515.606 5.340 3 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)c1ccc(Cl)cc1 ZINC000013862486 561734755 /nfs/dbraw/zinc/73/47/55/561734755.db2.gz IWFUKLIMSBWEIS-UHFFFAOYSA-N 1 1 520.076 7.854 1 0 KKAFMO CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947309 561744788 /nfs/dbraw/zinc/74/47/88/561744788.db2.gz HLRVNJVVXBHFTE-RPBOFIJWSA-N 1 1 565.205 9.396 1 0 in-vivo KKAFMO CCCNCc1c(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)sc1C[NH2+]CCC ZINC000014963685 561749164 /nfs/dbraw/zinc/74/91/64/561749164.db2.gz FWTSOYMNLPZPPX-UHFFFAOYSA-N 1 1 567.970 7.212 1 0 KKAFMO COc1cc(OC)c([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545697 561755858 /nfs/dbraw/zinc/75/58/58/561755858.db2.gz RCSPFHBAQYBMER-ZJSXRUAMSA-N 1 1 541.644 6.460 3 0 KKAFMO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017545670 561755899 /nfs/dbraw/zinc/75/58/99/561755899.db2.gz RHFCZKFQFOFAIG-VSGBNLITSA-N 1 1 573.734 5.131 3 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000017545854 561756126 /nfs/dbraw/zinc/75/61/26/561756126.db2.gz WGQCVUUUJSQMIV-RCZVLFRGSA-N 1 1 581.750 6.823 3 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577488 561756697 /nfs/dbraw/zinc/75/66/97/561756697.db2.gz VOOOYBCZHYEAAU-AQIUQABFSA-N 1 1 546.036 7.838 3 0 KKAFMO COc1ccc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000017655101 561757954 /nfs/dbraw/zinc/75/79/54/561757954.db2.gz PBFJDRPERMLIIX-CLJLJLNGSA-N 1 1 547.648 5.016 1 0 KKAFMO COc1ccc([C@H]2C=CC[N@@H+](CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018182084 561758167 /nfs/dbraw/zinc/75/81/67/561758167.db2.gz PMFCRKQEBIMFMP-SAIUNTKASA-N 1 1 526.696 6.968 1 0 KKAFMO O[C@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019365465 561758300 /nfs/dbraw/zinc/75/83/00/561758300.db2.gz DEEUPPNPQSCODX-HHHXNRCGSA-N 1 1 509.488 5.296 1 0 KKAFMO O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1CCCN1CC[NH+](CCCN2C(=O)c3cccc4c(Cl)ccc(c43)C2=O)CC1 ZINC000022036824 561759054 /nfs/dbraw/zinc/75/90/54/561759054.db2.gz DYZWWNMXKDIBTN-UHFFFAOYSA-N 1 1 629.544 5.590 1 0 KKAFMO COc1ccccc1NC(=O)Nc1nc2nc(NCCC[NH+]3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000023357775 561761526 /nfs/dbraw/zinc/76/15/26/561761526.db2.gz DFSRCPBSJAXTNU-UHFFFAOYSA-N 1 1 595.535 5.701 1 0 KKAFMO CCNC(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2Cl)cc1 ZINC000026183077 561772015 /nfs/dbraw/zinc/77/20/15/561772015.db2.gz WYTZVAKESSXSGN-MKPDMIMOSA-N 1 1 501.070 6.727 1 0 KKAFMO CC(C)N(C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1)C(C)C ZINC000026182594 561772079 /nfs/dbraw/zinc/77/20/79/561772079.db2.gz SNXWEUBBRHJIEA-CZFRINIUSA-N 1 1 506.734 7.617 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2cccc(OC)c2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026184521 561772276 /nfs/dbraw/zinc/77/22/76/561772276.db2.gz BPBXLBMJYVSLOP-QRRGNZNSSA-N 1 1 508.706 6.849 1 0 KKAFMO Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CC[C@@H]3[C@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189290 561773184 /nfs/dbraw/zinc/77/31/84/561773184.db2.gz LVISBZKPLIJIAQ-IXCJQBJRSA-N 1 1 511.638 5.342 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc3c(c2)OCO3)cc1 ZINC000026248023 561773634 /nfs/dbraw/zinc/77/36/34/561773634.db2.gz WETZQYWACQZUCR-ISILISOKSA-N 1 1 508.662 6.526 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CCCc1ccccc1 ZINC000026262343 561775739 /nfs/dbraw/zinc/77/57/39/561775739.db2.gz MNFBAYCPPKGRMJ-ACHIHNKUSA-N 1 1 585.789 5.827 1 0 KKAFMO CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295410 561781341 /nfs/dbraw/zinc/78/13/41/561781341.db2.gz ZABNQKMXHNVFGT-IFZVWTTESA-N 1 1 726.959 5.639 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2ccc(OC)c(OC)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026280175 561778835 /nfs/dbraw/zinc/77/88/35/561778835.db2.gz HWAUVUBNRNJTKK-UHFFFAOYSA-N 1 1 647.751 6.421 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2ccc(OC)c(OC)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026280175 561778837 /nfs/dbraw/zinc/77/88/37/561778837.db2.gz HWAUVUBNRNJTKK-UHFFFAOYSA-N 1 1 647.751 6.421 1 0 KKAFMO O=C(NCCC[N@@H+](CCNC(=O)OCc1ccccc1)CCc1c[nH]c2ccccc12)OCc1ccccc1 ZINC000026394022 561786389 /nfs/dbraw/zinc/78/63/89/561786389.db2.gz VLVOHAQIIPYBRK-UHFFFAOYSA-N 1 1 528.653 5.255 1 0 KKAFMO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000026576442 561800196 /nfs/dbraw/zinc/80/01/96/561800196.db2.gz MEDYXWWEPBZLAH-UHFFFAOYSA-N 1 1 543.671 5.876 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCOCC5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026579050 561804055 /nfs/dbraw/zinc/80/40/55/561804055.db2.gz CJXKMHMEPMQQQZ-NTEUORMPSA-N 1 1 676.601 5.418 1 0 KKAFMO Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3Cl)c2[nH+]1 ZINC000026580040 561805482 /nfs/dbraw/zinc/80/54/82/561805482.db2.gz FCGUWMIEYGQKJI-QGOAFFKASA-N 1 1 700.667 7.339 1 0 KKAFMO Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2[nH+]1 ZINC000026580038 561805505 /nfs/dbraw/zinc/80/55/05/561805505.db2.gz PBQVPAPTMCLLGO-QGOAFFKASA-N 1 1 688.656 6.914 1 0 KKAFMO CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCOCC5)cc(C)[nH+]c34)c2Cl)cn1 ZINC000026637746 561806058 /nfs/dbraw/zinc/80/60/58/561806058.db2.gz HRGOUVFDVLOJOI-XYOKQWHBSA-N 1 1 677.589 5.411 1 0 KKAFMO CC(C)N1CCN(CCN2CC[NH+]([C@H]3C[C@@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662773 561810621 /nfs/dbraw/zinc/81/06/21/561810621.db2.gz MNGBFDADKNTDGN-AHWVRZQESA-N 1 1 501.502 5.334 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000026663246 561810638 /nfs/dbraw/zinc/81/06/38/561810638.db2.gz BADTXYGFGWBMDW-UKILVPOCSA-N 1 1 544.910 5.929 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(/C=C/c6ccccn6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026729417 561816503 /nfs/dbraw/zinc/81/65/03/561816503.db2.gz BXJRBGNXZAKXLL-FLQNDTOOSA-N 1 1 517.629 5.138 1 0 KKAFMO Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4C[N@H+](CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000026819171 561820882 /nfs/dbraw/zinc/82/08/82/561820882.db2.gz VRWSWNLSRFRDDD-AJQTZOPKSA-N 1 1 556.799 5.323 1 0 KKAFMO Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4C[N@@H+](CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000026819171 561820884 /nfs/dbraw/zinc/82/08/84/561820884.db2.gz VRWSWNLSRFRDDD-AJQTZOPKSA-N 1 1 556.799 5.323 1 0 KKAFMO OC1(CCCc2ccc(Cc3nn[nH]n3)cc2)CCN(C[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821333 /nfs/dbraw/zinc/82/13/33/561821333.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 1 1 556.799 5.236 1 0 KKAFMO OC1(CCCc2ccc(Cc3nn[nH]n3)cc2)CCN(C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026822320 561821335 /nfs/dbraw/zinc/82/13/35/561821335.db2.gz NQPXYMWTFXTRMG-AJQTZOPKSA-N 1 1 556.799 5.236 1 0 KKAFMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000026827273 561822245 /nfs/dbraw/zinc/82/22/45/561822245.db2.gz COLLVXHYCDJZCB-PLXHNDKISA-N 1 1 749.953 5.032 1 0 KKAFMO C[N@@H+](CCCN1C(=S)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836380 561824464 /nfs/dbraw/zinc/82/44/64/561824464.db2.gz UMIAUEYAPOVSMU-MUUNZHRXSA-N 1 1 558.810 6.492 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3cc(C)[nH+]c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026839507 561825311 /nfs/dbraw/zinc/82/53/11/561825311.db2.gz AEDSIDNRLSIRPU-NDEPHWFRSA-N 1 1 568.077 6.111 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3cc[nH+]c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026839519 561825453 /nfs/dbraw/zinc/82/54/53/561825453.db2.gz FCGSNXZAIYCCPV-HHHXNRCGSA-N 1 1 554.050 5.803 1 0 KKAFMO CC(C)(C)c1cc([C@@H]2SCC(=O)N2CCC[N@@H+](CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841927 561825844 /nfs/dbraw/zinc/82/58/44/561825844.db2.gz JROGEIVTQALTED-LJAQVGFWSA-N 1 1 572.768 5.053 1 0 KKAFMO CC(C)[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026842525 561825960 /nfs/dbraw/zinc/82/59/60/561825960.db2.gz IJZQNIBRFABISG-PMERELPUSA-N 1 1 570.796 6.469 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026956094 561829219 /nfs/dbraw/zinc/82/92/19/561829219.db2.gz FJGKVFWXFGAENH-PXDATVDWSA-N 1 1 559.585 5.799 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026956106 561829238 /nfs/dbraw/zinc/82/92/38/561829238.db2.gz FJGKVFWXFGAENH-SQJMNOBHSA-N 1 1 559.585 5.799 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073580 561833848 /nfs/dbraw/zinc/83/38/48/561833848.db2.gz HAELTQWQFNWTBQ-LKDIDBIPSA-N 1 1 657.881 5.071 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073580 561833850 /nfs/dbraw/zinc/83/38/50/561833850.db2.gz HAELTQWQFNWTBQ-LKDIDBIPSA-N 1 1 657.881 5.071 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027099317 561838419 /nfs/dbraw/zinc/83/84/19/561838419.db2.gz CYCBXKJGMMXKHS-UHFFFAOYSA-N 1 1 568.649 5.210 1 0 KKAFMO C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027182906 561842002 /nfs/dbraw/zinc/84/20/02/561842002.db2.gz IGUYTIRBNXFBHY-QHCPKHFHSA-N 1 1 665.766 6.125 1 0 KKAFMO CC(C)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189706 561843273 /nfs/dbraw/zinc/84/32/73/561843273.db2.gz GSYWKUSBTVKLIY-UHFFFAOYSA-N 1 1 636.768 7.660 1 0 KKAFMO COCCNc1nc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)cc[nH+]1 ZINC000027190401 561843439 /nfs/dbraw/zinc/84/34/39/561843439.db2.gz RZIZVFSDAXOWLW-UHFFFAOYSA-N 1 1 595.788 6.918 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccccc1 ZINC000027207865 561846347 /nfs/dbraw/zinc/84/63/47/561846347.db2.gz AKRLDNUSUDYWEE-CRNKYVSFSA-N 1 1 505.605 6.098 1 0 KKAFMO O=C(CCc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000027209181 561846639 /nfs/dbraw/zinc/84/66/39/561846639.db2.gz XGOHRXQNQVENKV-UHFFFAOYSA-N 1 1 524.488 5.414 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccc(I)cc1 ZINC000027209700 561846832 /nfs/dbraw/zinc/84/68/32/561846832.db2.gz VWUYWLASXQATSZ-ICYKMPLBSA-N 1 1 631.501 6.703 1 0 KKAFMO O=NSC1(C[N@@H+](CCCOC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)Cc2ccccc2)CCCCC1 ZINC000027324274 561853314 /nfs/dbraw/zinc/85/33/14/561853314.db2.gz RJVPYONGDQUUDQ-UHFFFAOYSA-N 1 1 600.612 8.833 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027407449 561855781 /nfs/dbraw/zinc/85/57/81/561855781.db2.gz VDKGSTLZQQFJLL-UHFFFAOYSA-N 1 1 623.729 5.796 1 0 KKAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421188 561857654 /nfs/dbraw/zinc/85/76/54/561857654.db2.gz XWGIRFFCAHGQSB-ZRSDQMEDSA-N 1 1 682.262 5.006 1 0 KKAFMO COc1cc(OCC[N@@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430743 561859237 /nfs/dbraw/zinc/85/92/37/561859237.db2.gz LGXYJZXPHICFLX-PMERELPUSA-N 1 1 588.811 5.988 1 0 KKAFMO C[C@@H](c1ccc(I)cc1)N1CC[N@H+](C2CCN(C(=O)c3c(F)cccc3I)CC2)C[C@@H]1C ZINC000027517442 561861188 /nfs/dbraw/zinc/86/11/88/561861188.db2.gz JXAPPEREGABNTD-ROUUACIJSA-N 1 1 661.341 5.407 1 0 KKAFMO O[C@@H](COc1cccc2c1ccnc2Sc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027518655 561862500 /nfs/dbraw/zinc/86/25/00/561862500.db2.gz CHVBRBCMRRHUFT-GDLZYMKVSA-N 1 1 561.751 6.533 1 0 KKAFMO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027518916 561862777 /nfs/dbraw/zinc/86/27/77/561862777.db2.gz KUOUHUKIBBTXEV-PXNSSMCTSA-N 1 1 571.610 5.893 1 0 KKAFMO CNC(=O)OCc1ncn(CCCc2ccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccccc45)cc3)cc2)c1COC(=O)NC ZINC000027524687 561865767 /nfs/dbraw/zinc/86/57/67/561865767.db2.gz MHTXSMBRBHWRMZ-UHFFFAOYSA-N 1 1 621.698 5.772 1 0 KKAFMO CNC(=O)OCc1nc(SC)n(CCCc2ccc(NC(=O)c3ccc(Nc4cc[nH+]c5ccccc45)cc3)cc2)c1COC(=O)NC ZINC000027525853 561866019 /nfs/dbraw/zinc/86/60/19/561866019.db2.gz MTVXLCJYBKBUCT-UHFFFAOYSA-N 1 1 667.792 6.494 1 0 KKAFMO O=C(Nc1ccc(CCc2c(CO)c(CO)c3n2CCC3)cc1)c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000027526020 561866149 /nfs/dbraw/zinc/86/61/49/561866149.db2.gz XZPIZVXAZGFYGZ-UHFFFAOYSA-N 1 1 532.644 5.748 1 0 KKAFMO COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027549918 561867740 /nfs/dbraw/zinc/86/77/40/561867740.db2.gz WLLDCVHJRCZONV-SSEXGKCCSA-N 1 1 529.706 6.633 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3Oc3ccccc3)cc1)CC2 ZINC000027654026 561877180 /nfs/dbraw/zinc/87/71/80/561877180.db2.gz WIHWHNCYFUMLIA-UHFFFAOYSA-N 1 1 508.618 6.349 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc4ccccc4n3)cc1)CC2 ZINC000027655776 561877440 /nfs/dbraw/zinc/87/74/40/561877440.db2.gz IHYIEVZVUPBFIO-UHFFFAOYSA-N 1 1 586.692 6.357 1 0 KKAFMO CC(C)(C)c1ccc(COc2ccc(CN(CCC[NH3+])Cc3ccc(OCc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1 ZINC000027704586 561878542 /nfs/dbraw/zinc/87/85/42/561878542.db2.gz RKLJUFCGSUWCKR-UHFFFAOYSA-N 1 1 578.841 8.791 1 0 KKAFMO CCCCC(=O)O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027717367 561880235 /nfs/dbraw/zinc/88/02/35/561880235.db2.gz FZIFGWKACQKIGP-HKBQPEDESA-N 1 1 534.622 7.661 1 0 KKAFMO CCCCC(=O)O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027717367 561880237 /nfs/dbraw/zinc/88/02/37/561880237.db2.gz FZIFGWKACQKIGP-HKBQPEDESA-N 1 1 534.622 7.661 1 0 KKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC000027729758 561881138 /nfs/dbraw/zinc/88/11/38/561881138.db2.gz DZXYFVBPMLOTIH-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2cccc(C(F)(F)F)c2)C1)c1ccc(F)cc1 ZINC000027729758 561881139 /nfs/dbraw/zinc/88/11/39/561881139.db2.gz DZXYFVBPMLOTIH-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)cc1 ZINC000027880641 561889034 /nfs/dbraw/zinc/88/90/34/561889034.db2.gz YDGZIYYXJVQUEG-FTJBHMTQSA-N 1 1 575.775 5.208 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)cc1 ZINC000027880641 561889036 /nfs/dbraw/zinc/88/90/36/561889036.db2.gz YDGZIYYXJVQUEG-FTJBHMTQSA-N 1 1 575.775 5.208 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007103 561895804 /nfs/dbraw/zinc/89/58/04/561895804.db2.gz KXMSNVZBMZCZNF-CRJIABDTSA-N 1 1 652.855 7.820 1 0 KKAFMO CCCn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011255 561896350 /nfs/dbraw/zinc/89/63/50/561896350.db2.gz PCDLAZBOJIOXQD-UQDPWRLZSA-N 1 1 596.860 7.007 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011427 561896522 /nfs/dbraw/zinc/89/65/22/561896522.db2.gz NFDIIEKBTXCQDG-JGCGQSQUSA-N 1 1 580.747 6.212 1 0 KKAFMO Cn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028014175 561896964 /nfs/dbraw/zinc/89/69/64/561896964.db2.gz CDQNFYDAQGBSAS-VUHKNJSWSA-N 1 1 568.806 6.134 1 0 KKAFMO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028019743 561898077 /nfs/dbraw/zinc/89/80/77/561898077.db2.gz VWYAKQIBNSPPEC-GFJCEQABSA-N 1 1 644.876 7.350 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021454 561898477 /nfs/dbraw/zinc/89/84/77/561898477.db2.gz FSHOMAHJUYDWJR-PTTLIBFYSA-N 1 1 616.866 7.325 1 0 KKAFMO CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022013 561898699 /nfs/dbraw/zinc/89/86/99/561898699.db2.gz JAZDXLMRRUTSBU-GFJCEQABSA-N 1 1 658.903 7.739 1 0 KKAFMO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028023067 561898962 /nfs/dbraw/zinc/89/89/62/561898962.db2.gz VDRHHLLGNIGFLU-NNYJQHGCSA-N 1 1 562.730 5.343 1 0 KKAFMO CCn1nc(Cc2ccccc2F)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086970 561899203 /nfs/dbraw/zinc/89/92/03/561899203.db2.gz PQERIGBWDFXHHY-MRPJDYLLSA-N 1 1 564.721 5.776 1 0 KKAFMO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028092382 561900101 /nfs/dbraw/zinc/90/01/01/561900101.db2.gz RGIPYCSQKBJEOA-KJCODNFBSA-N 1 1 604.811 6.426 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093856 561900353 /nfs/dbraw/zinc/90/03/53/561900353.db2.gz JPIGMEITTGHWBF-FZKFUBHISA-N 1 1 590.784 6.036 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000028106014 561902310 /nfs/dbraw/zinc/90/23/10/561902310.db2.gz BGOXVMFCSBFTSC-ZEQKJWHPSA-N 1 1 584.602 6.267 1 0 KKAFMO C[NH+]1CCN(CCCn2nc(C3=C(c4cn(-c5ccc6ccccc6c5)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1 ZINC000028111772 561903187 /nfs/dbraw/zinc/90/31/87/561903187.db2.gz VJVSHXVHOJVSOB-UHFFFAOYSA-N 1 1 594.719 5.338 1 0 KKAFMO CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028137181 561906745 /nfs/dbraw/zinc/90/67/45/561906745.db2.gz ULQHNTFKCVNMTK-SSEXGKCCSA-N 1 1 558.723 5.348 1 0 KKAFMO CC[N@@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028331081 561912691 /nfs/dbraw/zinc/91/26/91/561912691.db2.gz YMARRYFQPATFSB-UHFFFAOYSA-N 1 1 508.824 7.930 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3cnnc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028330888 561912720 /nfs/dbraw/zinc/91/27/20/561912720.db2.gz GQAKZLNWAKJYFP-NIYFSFCBSA-N 1 1 513.469 5.121 1 0 KKAFMO COc1cccc(-n2c(=O)c3c(C[N@@H+](C)Cc4ccccc4)c(-c4ccc(NC(=O)C(C)C)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028234290 561909505 /nfs/dbraw/zinc/90/95/05/561909505.db2.gz NCNKFVKUGBSINN-UHFFFAOYSA-N 1 1 694.804 7.443 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(C2CCCCC2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238426 561910074 /nfs/dbraw/zinc/91/00/74/561910074.db2.gz QBBCUXWNGPGVPA-UHFFFAOYSA-N 1 1 615.746 7.364 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC3(c4ccc(F)cc4)OCCO3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028238560 561910099 /nfs/dbraw/zinc/91/00/99/561910099.db2.gz VEKWSXMVPJSWQF-MAJWKWKESA-N 1 1 568.705 5.626 1 0 KKAFMO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578597 555451125 /nfs/dbraw/zinc/45/11/25/555451125.db2.gz OCSSPPVRIBPKRC-NBTVYNQOSA-N 1 1 542.120 5.871 2 0 KKAFMO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)cc1 ZINC000028371502 561918463 /nfs/dbraw/zinc/91/84/63/561918463.db2.gz ISSMOFDSASESSU-WZQNMIHXSA-N 1 1 503.664 6.566 1 0 KKAFMO C[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028374712 561918979 /nfs/dbraw/zinc/91/89/79/561918979.db2.gz JJBDKVDIKZJYDD-VSJLXWSYSA-N 1 1 636.240 5.063 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456530 561923963 /nfs/dbraw/zinc/92/39/63/561923963.db2.gz DRDQYIOQYQLAEY-LHEWISCISA-N 1 1 685.825 6.099 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCC([N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472628 561927260 /nfs/dbraw/zinc/92/72/60/561927260.db2.gz HXLPXRVFECQWCN-IBGZPJMESA-N 1 1 555.510 5.185 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(n3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523196 561929971 /nfs/dbraw/zinc/92/99/71/561929971.db2.gz QRUOSJZEFNEZHQ-UJCCJREASA-N 1 1 500.687 5.422 1 0 KKAFMO CCc1ccn2c(c1)ncc2C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000028523498 561930232 /nfs/dbraw/zinc/93/02/32/561930232.db2.gz XHIDYJZGPCURNT-WIIGKZCBSA-N 1 1 532.704 5.574 1 0 KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@@H+](C)[C@H]5C2)CCN1C ZINC000028538555 561935126 /nfs/dbraw/zinc/93/51/26/561935126.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 1 1 576.693 6.831 1 0 KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N@H+](C)[C@H]5C2)CCN1C ZINC000028538555 561935128 /nfs/dbraw/zinc/93/51/28/561935128.db2.gz MMGBHVBJOIKWMF-WUFINQPMSA-N 1 1 576.693 6.831 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCCCC[N@@H+](C)CCCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639254 561942539 /nfs/dbraw/zinc/94/25/39/561942539.db2.gz YRYZTOKWYPCBPO-VHEBQXMUSA-N 1 1 673.844 6.984 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702900 561947508 /nfs/dbraw/zinc/94/75/08/561947508.db2.gz UXWASFWFYFPAIK-ITHCMUOMSA-N 1 1 726.787 8.459 1 0 KKAFMO CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704046 561948131 /nfs/dbraw/zinc/94/81/31/561948131.db2.gz AJPSXOQDVAYDLP-YDWZHMMXSA-N 1 1 582.654 7.301 1 0 KKAFMO CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704099 561948279 /nfs/dbraw/zinc/94/82/79/561948279.db2.gz MHJVDZLLZRONGX-YDWZHMMXSA-N 1 1 532.647 6.422 1 0 KKAFMO C[NH+]1CCN(CCCCOc2ccc(-c3cc(-c4ccccc4)c4c(n3)-c3ccccc3NC(=O)C4)cc2Cl)CC1 ZINC000028704156 561948430 /nfs/dbraw/zinc/94/84/30/561948430.db2.gz OVYOGLNLKLZBJP-UHFFFAOYSA-N 1 1 567.133 6.637 1 0 KKAFMO CC(=O)Nc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4cccc(NC(C)=O)c4)c3)ccn2)c1 ZINC000028707573 561950074 /nfs/dbraw/zinc/95/00/74/561950074.db2.gz HFVHDYXALWEPRI-MEKGRNQZSA-N 1 1 560.702 5.576 1 0 KKAFMO CC[N@H+]1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713635 561954070 /nfs/dbraw/zinc/95/40/70/561954070.db2.gz CIBAYWPDYJITNN-IBGZPJMESA-N 1 1 526.002 7.135 1 0 KKAFMO CC[N@@H+](CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028766557 561959816 /nfs/dbraw/zinc/95/98/16/561959816.db2.gz NHPXDBZGHFXSRP-NDEPHWFRSA-N 1 1 525.730 6.869 1 0 KKAFMO CN1CC[NH+](CCCOc2ccc(C3O[C@H](c4ccccc4Cl)[C@@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816247 561964049 /nfs/dbraw/zinc/96/40/49/561964049.db2.gz ONCHPBKAGOWLIQ-VSGBNLITSA-N 1 1 527.492 6.538 1 0 KKAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000028818486 561965229 /nfs/dbraw/zinc/96/52/29/561965229.db2.gz INEACRKPYDPVAY-ZEQRLZLVSA-N 1 1 568.187 6.120 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CCN4CCC4)ccn32)n1)c1ccccc1 ZINC000028822155 561966720 /nfs/dbraw/zinc/96/67/20/561966720.db2.gz KRJQPVKMGUTYTM-QHCPKHFHSA-N 1 1 535.671 5.908 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)CCN4CCC4)ccn32)n1)c1ccccc1 ZINC000028822155 561966721 /nfs/dbraw/zinc/96/67/21/561966721.db2.gz KRJQPVKMGUTYTM-QHCPKHFHSA-N 1 1 535.671 5.908 1 0 KKAFMO Cc1c(C[N@@H+](C)C[C@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822508 561967100 /nfs/dbraw/zinc/96/71/00/561967100.db2.gz AUXILGDQTCBBEA-DEOSSOPVSA-N 1 1 549.096 5.139 1 0 KKAFMO Cc1c(C[N@@H+](C)C[C@@H](O)c2c[nH]c3ccccc32)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822507 561967183 /nfs/dbraw/zinc/96/71/83/561967183.db2.gz AUXILGDQTCBBEA-XMMPIXPASA-N 1 1 549.096 5.139 1 0 KKAFMO Cc1nc2cc(CC[NH2+]C[C@@H](C)c3c4c([nH]c3-c3cc(C)cc(C)c3)CCN(C(=O)Cc3c(F)cccc3C(F)(F)F)C4)ccc2[nH]1 ZINC000028823038 561967680 /nfs/dbraw/zinc/96/76/80/561967680.db2.gz JDPYVJZHURCBGX-HSZRJFAPSA-N 1 1 645.745 7.704 1 0 KKAFMO O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CCCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028869727 561973837 /nfs/dbraw/zinc/97/38/37/561973837.db2.gz UPEDKGWAXYKNLY-NDEPHWFRSA-N 1 1 502.058 5.514 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@H]4CCCC[N@H+]4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960889 561984118 /nfs/dbraw/zinc/98/41/18/561984118.db2.gz XOWKMVCDZXOXHR-OAQYLSRUSA-N 1 1 523.464 6.459 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4ccccc4c4c3[C@@H]1[N@H+](CCC2)CC4 ZINC000028965263 561984872 /nfs/dbraw/zinc/98/48/72/561984872.db2.gz MACDUZOVBRUEGF-WNJJXGMVSA-N 1 1 505.014 5.639 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4ccccc4c4c3[C@@H]1[N@@H+](CCC2)CC4 ZINC000028965263 561984874 /nfs/dbraw/zinc/98/48/74/561984874.db2.gz MACDUZOVBRUEGF-WNJJXGMVSA-N 1 1 505.014 5.639 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975210 561986500 /nfs/dbraw/zinc/98/65/00/561986500.db2.gz HUEIIQRYVMJFKL-WPFOTENUSA-N 1 1 573.735 5.105 1 0 KKAFMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(OC)cc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976226 561986782 /nfs/dbraw/zinc/98/67/82/561986782.db2.gz VXKLXNZZLNTCRG-SSEXGKCCSA-N 1 1 566.683 6.223 1 0 KKAFMO COc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037192 561988429 /nfs/dbraw/zinc/98/84/29/561988429.db2.gz VOHKPPOYXDJURU-UHFFFAOYSA-N 1 1 554.658 5.927 1 0 KKAFMO COc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1 ZINC000029037192 561988431 /nfs/dbraw/zinc/98/84/31/561988431.db2.gz VOHKPPOYXDJURU-UHFFFAOYSA-N 1 1 554.658 5.927 1 0 KKAFMO CNc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037198 561988436 /nfs/dbraw/zinc/98/84/36/561988436.db2.gz BGRGYPWSRFVWGD-UHFFFAOYSA-N 1 1 553.674 5.960 1 0 KKAFMO CNc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1 ZINC000029037198 561988438 /nfs/dbraw/zinc/98/84/38/561988438.db2.gz BGRGYPWSRFVWGD-UHFFFAOYSA-N 1 1 553.674 5.960 1 0 KKAFMO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037187 561988471 /nfs/dbraw/zinc/98/84/71/561988471.db2.gz JTBJVILIKCZILP-UHFFFAOYSA-N 1 1 570.726 6.640 1 0 KKAFMO CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc2n1 ZINC000029037187 561988473 /nfs/dbraw/zinc/98/84/73/561988473.db2.gz JTBJVILIKCZILP-UHFFFAOYSA-N 1 1 570.726 6.640 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040075 561990375 /nfs/dbraw/zinc/99/03/75/561990375.db2.gz XLRKVUXIKLTNKO-XECDKEEKSA-N 1 1 550.587 7.063 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000029042928 561991782 /nfs/dbraw/zinc/99/17/82/561991782.db2.gz BKPWIYNAJFNIBS-CEUYOYMZSA-N 1 1 574.209 7.301 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029043184 561991896 /nfs/dbraw/zinc/99/18/96/561991896.db2.gz JOPLEQJQVLGYIT-XQFUHLNNSA-N 1 1 610.136 7.305 1 0 KKAFMO c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029049093 561993824 /nfs/dbraw/zinc/99/38/24/561993824.db2.gz VNYUGMZLAKLKAX-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO c1ccc(-c2cc3cccnc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000029049093 561993826 /nfs/dbraw/zinc/99/38/26/561993826.db2.gz VNYUGMZLAKLKAX-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125702 561997927 /nfs/dbraw/zinc/99/79/27/561997927.db2.gz QMWBUFQWRWCLHE-UHFFFAOYSA-N 1 1 571.714 6.076 1 0 KKAFMO Nc1nnc(-c2cnc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)c2)s1 ZINC000029125702 561997928 /nfs/dbraw/zinc/99/79/28/561997928.db2.gz QMWBUFQWRWCLHE-UHFFFAOYSA-N 1 1 571.714 6.076 1 0 KKAFMO C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ncco2)cc(-c2ncco2)c1 ZINC000029129116 562001570 /nfs/dbraw/zinc/00/15/70/562001570.db2.gz WGYRDHMVDDVNRZ-BNIKKZEQSA-N 1 1 533.604 5.309 1 0 KKAFMO CCc1nc2cc3c(cc2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126760 561998923 /nfs/dbraw/zinc/99/89/23/561998923.db2.gz VURVNYUMSCKMDC-UHFFFAOYSA-N 1 1 512.683 5.625 1 0 KKAFMO Cc1cc(-c2nc3c(ccc4c3CC[N@@H+](CCCSc3nnc(-c5cccc6nc(C)ccc65)n3C)CC4)o2)n(C)n1 ZINC000029126916 561999161 /nfs/dbraw/zinc/99/91/61/561999161.db2.gz NZPLLWYDJFVQEH-UHFFFAOYSA-N 1 1 578.746 5.772 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@H](C)[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029126990 561999175 /nfs/dbraw/zinc/99/91/75/561999175.db2.gz ILAPINSYTQOSTH-SFHVURJKSA-N 1 1 580.680 6.779 1 0 KKAFMO CCc1nc2cc3c(cc2o1)CC[N@@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127230 561999646 /nfs/dbraw/zinc/99/96/46/561999646.db2.gz QRWDBCPLADXSGV-UHFFFAOYSA-N 1 1 515.605 5.788 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4nc5cc(C(F)(F)F)ccn5c4CC3)n2C)n1 ZINC000029127317 561999844 /nfs/dbraw/zinc/99/98/44/561999844.db2.gz QWMBVXDLQBRGEQ-UHFFFAOYSA-N 1 1 551.642 5.588 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128088 562000599 /nfs/dbraw/zinc/00/05/99/562000599.db2.gz MGGAVHMSVGABJH-WTKACWAISA-N 1 1 515.591 6.953 1 0 KKAFMO C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nccs2)cc(-c2nccs2)c1 ZINC000029129507 562001906 /nfs/dbraw/zinc/00/19/06/562001906.db2.gz KDBCNKHHBUKNRH-BNIKKZEQSA-N 1 1 565.740 6.246 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@@H+](C)CC1CCCCC1 ZINC000029482239 562027494 /nfs/dbraw/zinc/02/74/94/562027494.db2.gz OYXVGBLHSLYWBP-LQJZCPKCSA-N 1 1 561.811 6.232 1 0 KKAFMO CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000029480718 562027252 /nfs/dbraw/zinc/02/72/52/562027252.db2.gz LTWFJGXDTKTBLB-BCRBLDSWSA-N 1 1 626.886 6.030 1 0 KKAFMO COC(=O)C(C)(C)c1nc2n(c1C[N@H+](C)CCc1ccccc1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029470734 562025562 /nfs/dbraw/zinc/02/55/62/562025562.db2.gz FGPZLUBKQLMTTI-UHFFFAOYSA-N 1 1 610.730 5.793 1 0 KKAFMO COC(=O)C(C)(C)c1nc2n(c1C[N@@H+](C)CCc1ccccc1)c(=O)c(-c1cccc(OC)c1)c(C)n2Cc1ccccc1F ZINC000029470734 562025563 /nfs/dbraw/zinc/02/55/63/562025563.db2.gz FGPZLUBKQLMTTI-UHFFFAOYSA-N 1 1 610.730 5.793 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029549751 562030714 /nfs/dbraw/zinc/03/07/14/562030714.db2.gz BBSPBBGTHVFTAX-PMERELPUSA-N 1 1 566.720 5.692 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551362 562031007 /nfs/dbraw/zinc/03/10/07/562031007.db2.gz CLUUKANTNNYMBZ-HKBQPEDESA-N 1 1 580.747 5.864 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCCOc2ccc(OC)cc2[C@@H]2Sc3ccccc3N(C)C2=O)cc1 ZINC000029551386 562031071 /nfs/dbraw/zinc/03/10/71/562031071.db2.gz OUOAHKBNSMBARV-LJAQVGFWSA-N 1 1 536.694 5.683 1 0 KKAFMO O=C(CCC[N@@H+]1CC[C@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)N(c1ccccc1)C1CCCCC1 ZINC000029555109 562031910 /nfs/dbraw/zinc/03/19/10/562031910.db2.gz ZTTWBAJERSGUBJ-BHYZAODMSA-N 1 1 529.675 7.421 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2CN(C)c3ccccc3S2)c1 ZINC000029559537 562032839 /nfs/dbraw/zinc/03/28/39/562032839.db2.gz YRKXDSQFNDBXPZ-LJAQVGFWSA-N 1 1 522.667 5.487 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(Br)cc4)nc3n2)CC1 ZINC000029564185 562034044 /nfs/dbraw/zinc/03/40/44/562034044.db2.gz NCBRFZSXMXIOAD-UHFFFAOYSA-N 1 1 644.405 6.455 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc(OC)cc1 ZINC000034961414 562044204 /nfs/dbraw/zinc/04/42/04/562044204.db2.gz MJJIHQACZGUMQB-BKMJKUGQSA-N 1 1 521.698 6.805 3 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000036177573 562049480 /nfs/dbraw/zinc/04/94/80/562049480.db2.gz UTKYLEFNOKDKOE-UXBLZVDNSA-N 1 1 555.909 6.325 1 0 KKAFMO Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(S(=O)(=O)CCC[NH+]4CCCC4)c3)nnc2c1 ZINC000035881439 562045662 /nfs/dbraw/zinc/04/56/62/562045662.db2.gz TVEJXAIMWGJODJ-UHFFFAOYSA-N 1 1 515.683 5.620 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@@H]2[C@]3(C)COC4(CCCCC4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331203 562056313 /nfs/dbraw/zinc/05/63/13/562056313.db2.gz ROPBDLZCVLFSRF-SZWJJLAFSA-N 1 1 636.786 5.444 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)COC4(CCCCC4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000036331199 562056336 /nfs/dbraw/zinc/05/63/36/562056336.db2.gz ROPBDLZCVLFSRF-JHBWKTLTSA-N 1 1 636.786 5.444 1 0 KKAFMO CCOC(=O)c1cn(Cc2cccc(OC)c2)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331622 562056741 /nfs/dbraw/zinc/05/67/41/562056741.db2.gz QJLIWDGBRLDUQM-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO CCOC(=O)c1cn(Cc2cccc(OC)c2)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331622 562056742 /nfs/dbraw/zinc/05/67/42/562056742.db2.gz QJLIWDGBRLDUQM-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331652 562056757 /nfs/dbraw/zinc/05/67/57/562056757.db2.gz CSXIVPZQMMASFG-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331652 562056758 /nfs/dbraw/zinc/05/67/58/562056758.db2.gz CSXIVPZQMMASFG-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)c1)c1ccccc1 ZINC000036338419 562056972 /nfs/dbraw/zinc/05/69/72/562056972.db2.gz SDHHOFBLTRTNNH-RSXGOPAZSA-N 1 1 516.605 5.248 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000036351479 562058320 /nfs/dbraw/zinc/05/83/20/562058320.db2.gz DPIMUOJRFNNAHL-KYJUHHDHSA-N 1 1 584.727 6.615 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(N5CCC5)c4)C[C@H]23)CC1 ZINC000036351580 562058710 /nfs/dbraw/zinc/05/87/10/562058710.db2.gz LDHLGMYURVJXRN-WWKQIGMOSA-N 1 1 540.127 5.281 1 0 KKAFMO CCNC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351561 562058719 /nfs/dbraw/zinc/05/87/19/562058719.db2.gz KMOGXAHQBLWLAE-UCVANPEUSA-N 1 1 571.141 5.212 1 0 KKAFMO CN1CC[NH+](CCCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C=O)c4)C[C@@H]3C2)CC1 ZINC000036351764 562059221 /nfs/dbraw/zinc/05/92/21/562059221.db2.gz KTSMKIKRRIOEJN-QFWOEDSFSA-N 1 1 540.539 5.637 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000036378315 562059653 /nfs/dbraw/zinc/05/96/53/562059653.db2.gz PODNXBRQMKYVOI-URXFXBBRSA-N 1 1 535.681 6.526 3 0 KKAFMO COc1cc(OC)c([C@@H](CC[N@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000038146583 562065192 /nfs/dbraw/zinc/06/51/92/562065192.db2.gz DIIOKAPUKRNPAJ-HOFKKMOUSA-N 1 1 540.704 6.797 3 0 KKAFMO CCC[N@H+]1C[C@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@H]2C1 ZINC000040602130 562078439 /nfs/dbraw/zinc/07/84/39/562078439.db2.gz PWXYVVOGSGGNIT-PKOBYXMFSA-N 1 1 510.874 6.092 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](CCc1ccc(F)c(F)c1)[N@@H+]([C@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000040847229 562080460 /nfs/dbraw/zinc/08/04/60/562080460.db2.gz MGTLLLVBSOYCAX-FIBWVYCGSA-N 1 1 520.620 5.782 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](CCc1ccc(F)c(F)c1)[N@H+]([C@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000040847229 562080462 /nfs/dbraw/zinc/08/04/62/562080462.db2.gz MGTLLLVBSOYCAX-FIBWVYCGSA-N 1 1 520.620 5.782 1 0 KKAFMO CCC[N@H+]1CCC[C@H](c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040917736 562084089 /nfs/dbraw/zinc/08/40/89/562084089.db2.gz LZOWLPPKVLNYEG-SFHVURJKSA-N 1 1 517.609 5.281 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3N(C)CC2 ZINC000095909661 560059558 /nfs/dbraw/zinc/05/95/58/560059558.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 1 1 594.708 6.556 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1cccc(c1)C[C@@H]3N(C)CC2 ZINC000095909661 560059559 /nfs/dbraw/zinc/05/95/59/560059559.db2.gz GTLLZNBTOZVXSU-NSOVKSMOSA-N 1 1 594.708 6.556 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)CC4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532591 560072596 /nfs/dbraw/zinc/07/25/96/560072596.db2.gz KFEVUNVZZSJLBB-CHIVFCCHSA-N 1 1 511.703 5.970 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCCC3)[C@H]2[C@@H]1C ZINC000085532471 560072611 /nfs/dbraw/zinc/07/26/11/560072611.db2.gz ACIXZNREGCKOIB-WIPJXPNTSA-N 1 1 573.774 6.830 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)C[C@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532496 560072759 /nfs/dbraw/zinc/07/27/59/560072759.db2.gz ZSCXLHZTZGDSBN-GJIJGONESA-N 1 1 565.795 7.140 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@H+]4[C@H]3CC[C@]5(O)[C@@H]3C=CC[C@H](C)C3)[C@H]2[C@@H]1C ZINC000085532379 560072770 /nfs/dbraw/zinc/07/27/70/560072770.db2.gz TZXYUWJMTYIYOZ-PSVRICBUSA-N 1 1 505.655 5.130 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCC(C)C)[C@H]2[C@@H]1C ZINC000085532416 560072855 /nfs/dbraw/zinc/07/28/55/560072855.db2.gz AWNNQCHEFCWHNM-KDJUNULDSA-N 1 1 563.735 5.268 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CCCC(C)C)[C@H]2[C@@H]1C ZINC000085532393 560072874 /nfs/dbraw/zinc/07/28/74/560072874.db2.gz GRWHWSZFWUCEAW-HXZFUUHCSA-N 1 1 577.762 5.658 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000085532345 560073029 /nfs/dbraw/zinc/07/30/29/560073029.db2.gz DVZUPUZEMYNWJI-OQWDBDEGSA-N 1 1 535.725 6.135 1 0 biogenic,in-vitro KKAFMO CSc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(NC2CCCCC2)[nH+]1 ZINC000043118581 562646007 /nfs/dbraw/zinc/64/60/07/562646007.db2.gz LHWGWNDZYGNBHL-MHECFPHRSA-N 1 1 560.005 8.186 1 0 KKAFMO CSc1nc(NC2CCCCC2)cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)[nH+]1 ZINC000043118581 562646008 /nfs/dbraw/zinc/64/60/08/562646008.db2.gz LHWGWNDZYGNBHL-MHECFPHRSA-N 1 1 560.005 8.186 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@H](CC1CC[NH+](CCNc3c4ccc(Cl)cc4nc4c3CCCC4)CC1)C2 ZINC000043174934 562646589 /nfs/dbraw/zinc/64/65/89/562646589.db2.gz FNBJPXIAYRUTAU-JOCHJYFZSA-N 1 1 548.127 6.353 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[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 562648198 /nfs/dbraw/zinc/64/81/98/562648198.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 1 1 510.744 6.624 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[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 562648199 /nfs/dbraw/zinc/64/81/99/562648199.db2.gz GAKRXIIHJWAJNM-PPHJCHBXSA-N 1 1 510.744 6.624 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[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 562648794 /nfs/dbraw/zinc/64/87/94/562648794.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 1 1 510.744 6.624 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2[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 562648795 /nfs/dbraw/zinc/64/87/95/562648795.db2.gz ZFCDKQHPFKXNGM-GKTSUCHQSA-N 1 1 510.744 6.624 1 0 KKAFMO O=C1c2ccccc2S[C@H](c2c(Cl)cccc2Cl)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000043543944 562649549 /nfs/dbraw/zinc/64/95/49/562649549.db2.gz JHISYBKNOYPOMQ-AREMUKBSSA-N 1 1 528.892 7.944 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589889 562650070 /nfs/dbraw/zinc/65/00/70/562650070.db2.gz CKYOUSJBAOMLEO-DNKZPPIMSA-N 1 1 582.113 5.455 1 0 KKAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052555 562651819 /nfs/dbraw/zinc/65/18/19/562651819.db2.gz MDLRAEPVBHKBOT-SANMLTNESA-N 1 1 546.405 5.135 1 0 KKAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4ccc(C(C)(C)C)cc4)ccc3CC[C@H]2O)cc1 ZINC000044307921 562654147 /nfs/dbraw/zinc/65/41/47/562654147.db2.gz YAVNTIXQCGCZAO-XWHIBYANSA-N 1 1 589.802 5.476 1 0 KKAFMO COc1ccc(Cc2cccc([C@H](C(=O)NCc3cc(Cl)cc(Cl)c3)N3CC[NH+](C)CC3)c2)cc1 ZINC000045168659 562658118 /nfs/dbraw/zinc/65/81/18/562658118.db2.gz DZOTZJJKRBESPV-HHHXNRCGSA-N 1 1 512.481 5.198 1 0 KKAFMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186614 562658215 /nfs/dbraw/zinc/65/82/15/562658215.db2.gz LDCIPMKXLAJYAT-FQEVSTJZSA-N 1 1 500.630 6.983 1 0 KKAFMO C[N@@H+](CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045187821 562658255 /nfs/dbraw/zinc/65/82/55/562658255.db2.gz DMXIGACZQWXTRE-MUUNZHRXSA-N 1 1 530.713 6.023 1 0 KKAFMO O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCN(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045190428 562658503 /nfs/dbraw/zinc/65/85/03/562658503.db2.gz RFOZKIJTQIPXTD-HKBQPEDESA-N 1 1 511.710 5.542 1 0 KKAFMO CC[N@@H+](C)CCCn1c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2nc1N(C)C ZINC000045201513 562659082 /nfs/dbraw/zinc/65/90/82/562659082.db2.gz DGXCVGAFNROZNA-UHFFFAOYSA-N 1 1 521.090 5.525 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045209757 562659238 /nfs/dbraw/zinc/65/92/38/562659238.db2.gz KVVPFQGDXRKBEP-MNNSJKJDSA-N 1 1 528.524 5.449 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045210699 562659312 /nfs/dbraw/zinc/65/93/12/562659312.db2.gz QOOXSJMYERMZSS-NBSXQYNISA-N 1 1 522.904 6.297 1 0 KKAFMO CC(C)(C[NH2+]CCOc1ccc(Cl)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045210033 562659319 /nfs/dbraw/zinc/65/93/19/562659319.db2.gz JQNFDYJZQDXDQM-UHFFFAOYSA-N 1 1 513.429 5.075 1 0 KKAFMO CN1CCN(Cc2nc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)cs2)CC1 ZINC000045228986 562659501 /nfs/dbraw/zinc/65/95/01/562659501.db2.gz VJOGXZHJBMDDKI-UHFFFAOYSA-N 1 1 507.663 6.642 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000045303052 562660784 /nfs/dbraw/zinc/66/07/84/562660784.db2.gz RQJLTPYFEKFWPB-KPKJPENVSA-N 1 1 521.464 5.672 1 0 KKAFMO CCCCC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321575 562661053 /nfs/dbraw/zinc/66/10/53/562661053.db2.gz MDOBMFVRAIEFSI-IBGZPJMESA-N 1 1 511.610 5.138 1 0 KKAFMO COCC[NH+]1CCC(C[N@H+](C)CC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)CC1 ZINC000045325071 562661222 /nfs/dbraw/zinc/66/12/22/562661222.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 1 1 512.098 5.066 1 0 KKAFMO COCC[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)CC1 ZINC000045325071 562661223 /nfs/dbraw/zinc/66/12/23/562661223.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 1 1 512.098 5.066 1 0 KKAFMO COCC[NH+]1CCC(C[N@H+](C)CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)CC1 ZINC000045325071 562661224 /nfs/dbraw/zinc/66/12/24/562661224.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 1 1 512.098 5.066 1 0 KKAFMO COCC[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)CC1 ZINC000045325071 562661225 /nfs/dbraw/zinc/66/12/25/562661225.db2.gz ZDHRAIMNASEUNI-UHFFFAOYSA-N 1 1 512.098 5.066 1 0 KKAFMO Cc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373263 562662289 /nfs/dbraw/zinc/66/22/89/562662289.db2.gz DJTKGWCOGVBRHI-SFYKUEKMSA-N 1 1 502.058 5.145 1 0 KKAFMO CCCCN(CCCC)CC1(C[NH+](CCCC)CCCC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049031433 562663370 /nfs/dbraw/zinc/66/33/70/562663370.db2.gz IOGFWISXLWLBGV-UHFFFAOYSA-N 1 1 512.735 6.467 1 0 KKAFMO C[C@H]1CCC[N@H+](C2CCN(c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)CC2)C1 ZINC000049033216 562663410 /nfs/dbraw/zinc/66/34/10/562663410.db2.gz NALJGCXSWWMKER-KRWDZBQOSA-N 1 1 513.526 6.677 1 0 KKAFMO C[C@@H]1CCC[N@H+](C2CCN(c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C(F)(F)F)c3)CC2)C1 ZINC000049033214 562663413 /nfs/dbraw/zinc/66/34/13/562663413.db2.gz NALJGCXSWWMKER-QGZVFWFLSA-N 1 1 513.526 6.677 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@@H+](CCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067592 562663983 /nfs/dbraw/zinc/66/39/83/562663983.db2.gz WHPDQMKLUXKLEA-PMERELPUSA-N 1 1 502.666 5.765 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@H+](CCc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067592 562663984 /nfs/dbraw/zinc/66/39/84/562663984.db2.gz WHPDQMKLUXKLEA-PMERELPUSA-N 1 1 502.666 5.765 1 0 KKAFMO C[C@H](CNC(=O)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604946 562665099 /nfs/dbraw/zinc/66/50/99/562665099.db2.gz NNNAYENYEMNISJ-URNDWHGUSA-N 1 1 543.711 6.801 1 0 KKAFMO COc1ccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(C(F)(F)F)cc3)CC2)cc1Cl ZINC000049605280 562665628 /nfs/dbraw/zinc/66/56/28/562665628.db2.gz NFNSUJCBMNEKHX-MDWZMJQESA-N 1 1 567.052 5.907 1 0 KKAFMO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605789 562666345 /nfs/dbraw/zinc/66/63/45/562666345.db2.gz NLPYUOOSZXDDEC-UFYCRDLUSA-N 1 1 572.364 6.586 1 0 KKAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049613957 562666511 /nfs/dbraw/zinc/66/65/11/562666511.db2.gz PDZAIKYQCUTPEC-UHFFFAOYSA-N 1 1 532.044 5.196 1 0 KKAFMO C[N@@H+]1CCC[C@@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667041 /nfs/dbraw/zinc/66/70/41/562667041.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 1 1 547.669 6.375 1 0 KKAFMO C[N@H+]1CCC[C@@H](CN2CCN(Cc3cccc(-c4ccc(-c5nc6cc(C(F)(F)F)ccc6[nH]5)cc4)c3)CC2)C1 ZINC000049626222 562667042 /nfs/dbraw/zinc/66/70/42/562667042.db2.gz SYRWXCDJEJSVBQ-XMMPIXPASA-N 1 1 547.669 6.375 1 0 KKAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(OCC[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000049626634 562667257 /nfs/dbraw/zinc/66/72/57/562667257.db2.gz PLDKXTXKHJTZTQ-JLHYYAGUSA-N 1 1 555.900 6.117 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049626714 562667324 /nfs/dbraw/zinc/66/73/24/562667324.db2.gz RNOJVMQUOQWFKT-KPKJPENVSA-N 1 1 571.471 6.552 1 0 KKAFMO O=c1cc(NCC[C@@H](CNCc2cc3ccccc3o2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626739 562667348 /nfs/dbraw/zinc/66/73/48/562667348.db2.gz SDROXRZCBIRXDT-QHCPKHFHSA-N 1 1 624.377 6.550 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(O[C@@H]3CC[N@@H+](C)C3)c(Cl)c2)C1 ZINC000049639100 562667579 /nfs/dbraw/zinc/66/75/79/562667579.db2.gz OGXOEHAMALUPAX-GSLIJJQTSA-N 1 1 583.198 5.173 1 0 KKAFMO COc1ccc(C(C(=O)OCCC[N@@H+](C)CCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2)cc1 ZINC000049654689 562668134 /nfs/dbraw/zinc/66/81/34/562668134.db2.gz ZRGFQODGTBBTPX-GIJQJNRQSA-N 1 1 621.727 5.373 1 0 KKAFMO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000049694583 562669514 /nfs/dbraw/zinc/66/95/14/562669514.db2.gz QNSYZPLZZGYLQU-UHFFFAOYSA-N 1 1 561.105 6.260 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)N2CCN(c3ccccc3)C2=O)cc1F ZINC000049695009 562670096 /nfs/dbraw/zinc/67/00/96/562670096.db2.gz UBZDENXYJMPPFG-UHFFFAOYSA-N 1 1 615.662 5.750 1 0 KKAFMO CC[C@@]1(O)CCC[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 ZINC000049708865 562671113 /nfs/dbraw/zinc/67/11/13/562671113.db2.gz LDTWLIQWOQZVHX-OAKKBAFNSA-N 1 1 610.843 6.536 1 0 KKAFMO CC[NH+]1CCN(C(=O)CCc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049709277 562671294 /nfs/dbraw/zinc/67/12/94/562671294.db2.gz JLRYCVLRKWBMOL-UHFFFAOYSA-N 1 1 599.761 6.242 1 0 KKAFMO CN1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000049710070 562671497 /nfs/dbraw/zinc/67/14/97/562671497.db2.gz MLNFOBLETLUVAI-UHFFFAOYSA-N 1 1 607.821 5.067 1 0 KKAFMO COc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049710201 562671553 /nfs/dbraw/zinc/67/15/53/562671553.db2.gz UEEWFTFRIVRZLS-XAYKGCCJSA-N 1 1 577.553 5.844 1 0 KKAFMO CCCCCC(=O)N1CCO[C@@](CC[N@H+]2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710510 562671692 /nfs/dbraw/zinc/67/16/92/562671692.db2.gz VCZBPJOANUSAGW-SSEXGKCCSA-N 1 1 542.551 6.568 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711026 562671911 /nfs/dbraw/zinc/67/19/11/562671911.db2.gz NKILNBZJPOZQEA-ZTOMLWHTSA-N 1 1 595.628 6.179 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049722582 562672246 /nfs/dbraw/zinc/67/22/46/562672246.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N 1 1 578.544 6.457 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049722582 562672247 /nfs/dbraw/zinc/67/22/47/562672247.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N 1 1 578.544 6.457 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049722582 562672248 /nfs/dbraw/zinc/67/22/48/562672248.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N 1 1 578.544 6.457 1 0 KKAFMO CCc1ccc(C[NH2+]C[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)o1 ZINC000049722981 562672780 /nfs/dbraw/zinc/67/27/80/562672780.db2.gz CEMZBHDGSBBBKE-OAQYLSRUSA-N 1 1 602.371 5.959 1 0 KKAFMO Cn1c2ccccc2c2c1CC[N@H+](CC[C@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744819 562673552 /nfs/dbraw/zinc/67/35/52/562673552.db2.gz IQXWGZKFNGUKSB-WJOKGBTCSA-N 1 1 548.514 6.301 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744875 562673557 /nfs/dbraw/zinc/67/35/57/562673557.db2.gz LQKSVBWVXREMMV-XUVXKRRUSA-N 1 1 555.909 6.072 1 0 KKAFMO O=C1c2cc(OCCN3CCCCC3)ccc2-c2c1c1ccccc1nc2-c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000049756458 562675044 /nfs/dbraw/zinc/67/50/44/562675044.db2.gz JZXNGSFRELANIS-UHFFFAOYSA-N 1 1 561.726 6.843 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049756818 562675262 /nfs/dbraw/zinc/67/52/62/562675262.db2.gz DIOOREPVPOCQKL-UHFFFAOYSA-N 1 1 558.683 5.814 1 0 KKAFMO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757080 562675501 /nfs/dbraw/zinc/67/55/01/562675501.db2.gz XMPYIUOBUKKWGS-IANOAQMISA-N 1 1 608.179 5.722 1 0 KKAFMO COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757080 562675502 /nfs/dbraw/zinc/67/55/02/562675502.db2.gz XMPYIUOBUKKWGS-IANOAQMISA-N 1 1 608.179 5.722 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)[NH2+]Cc2ccc3ncccc3c2)nn1 ZINC000049757392 562675993 /nfs/dbraw/zinc/67/59/93/562675993.db2.gz KGNPAFUIDAMTOY-NJHZRGNWSA-N 1 1 585.646 6.813 1 0 KKAFMO CC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049767730 562677689 /nfs/dbraw/zinc/67/76/89/562677689.db2.gz CUHMRZBFKJMSFQ-IADCTJSHSA-N 1 1 555.576 5.787 1 0 KKAFMO CC[N@H+](C[C@@H](CC1CCCCC1)NC(=O)OCc1nccs1)C[C@H](CC1CCCCC1)NC(=O)OCc1cncs1 ZINC000049774936 562678784 /nfs/dbraw/zinc/67/87/84/562678784.db2.gz LIXMKOKUEJGOKF-IZZNHLLZSA-N 1 1 605.871 6.752 1 0 KKAFMO CCOc1cc(CC)ccc1C1CCN(CC[NH+]2CCC(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)cc3)CC2)CC1 ZINC000049777040 562679536 /nfs/dbraw/zinc/67/95/36/562679536.db2.gz COVVZTVRXSKDRL-UHFFFAOYSA-N 1 1 581.801 6.591 1 0 KKAFMO COc1ccc(C(C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2)cc1 ZINC000049777544 562680146 /nfs/dbraw/zinc/68/01/46/562680146.db2.gz BVOJPMLMSWLMNL-LPYMAVHISA-N 1 1 677.835 6.934 1 0 KKAFMO O[C@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780192 562681388 /nfs/dbraw/zinc/68/13/88/562681388.db2.gz ZUFUIYOZVFSEPX-WNOXWKSXSA-N 1 1 542.723 6.714 1 0 KKAFMO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CN(c2ccccc2)CCC1=O ZINC000049780576 562681905 /nfs/dbraw/zinc/68/19/05/562681905.db2.gz OOOQWLNJRCYLFI-USMNODJMSA-N 1 1 578.510 6.191 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2N2CC[C@@](C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000049781388 562683027 /nfs/dbraw/zinc/68/30/27/562683027.db2.gz XPXVRXYTAFCHFC-YFTAHVEOSA-N 1 1 639.806 5.500 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049781410 562683060 /nfs/dbraw/zinc/68/30/60/562683060.db2.gz ABOSMIZKCHEJEN-KIKDMBQDSA-N 1 1 647.682 5.406 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C[C@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784680 562683705 /nfs/dbraw/zinc/68/37/05/562683705.db2.gz NRQKOIIFRGQHPK-ZPGRZCPFSA-N 1 1 627.867 6.098 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+]5CCOCC5)cc4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049792476 562684397 /nfs/dbraw/zinc/68/43/97/562684397.db2.gz CBLIPXTZSVBWET-UHFFFAOYSA-N 1 1 597.723 7.257 1 0 KKAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000049841461 562688363 /nfs/dbraw/zinc/68/83/63/562688363.db2.gz PWYGLERUDMYFDC-UHFFFAOYSA-N 1 1 644.728 6.144 1 0 KKAFMO O=C(CN1CCCC1)Nc1cccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4cccc(NC(=O)C[NH+]5CCCC5)c4)c3)c2)c1 ZINC000049872455 562690008 /nfs/dbraw/zinc/69/00/08/562690008.db2.gz BUSJLCMEQHLGHG-UHFFFAOYSA-N 1 1 702.816 5.904 1 0 KKAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2n1 ZINC000049898145 562692277 /nfs/dbraw/zinc/69/22/77/562692277.db2.gz PFSYTCDBLGSLFB-UHFFFAOYSA-N 1 1 645.716 5.539 1 0 KKAFMO COc1cc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000049908056 562693396 /nfs/dbraw/zinc/69/33/96/562693396.db2.gz HYOUMDZUCVBABI-UHFFFAOYSA-N 1 1 556.469 5.627 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917858 562694016 /nfs/dbraw/zinc/69/40/16/562694016.db2.gz DJGWKTWKRTXWLC-NHCUHLMSSA-N 1 1 619.943 7.295 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917957 562694202 /nfs/dbraw/zinc/69/42/02/562694202.db2.gz AGLUKBSNZHMNNX-UFYCRDLUSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049918133 562694482 /nfs/dbraw/zinc/69/44/82/562694482.db2.gz VOPIXGFAIRZWQB-NHZFLZHXSA-N 1 1 644.728 5.594 1 0 KKAFMO COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918178 562694542 /nfs/dbraw/zinc/69/45/42/562694542.db2.gz MLJAUVIDNIEKEN-WUTDNEBXSA-N 1 1 549.499 5.206 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)c4ccccc4)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000049952368 562695800 /nfs/dbraw/zinc/69/58/00/562695800.db2.gz HFFPENASSUYKKM-UHFFFAOYSA-N 1 1 641.793 7.839 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)c4ccccc4)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000049952368 562695801 /nfs/dbraw/zinc/69/58/01/562695801.db2.gz HFFPENASSUYKKM-UHFFFAOYSA-N 1 1 641.793 7.839 1 0 KKAFMO O=C(CC[NH+]1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1)c1ccccc1 ZINC000053059247 562696204 /nfs/dbraw/zinc/69/62/04/562696204.db2.gz VHFONLCTSNTAHO-UHFFFAOYSA-N 1 1 514.467 6.009 1 0 KKAFMO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000053243736 562696840 /nfs/dbraw/zinc/69/68/40/562696840.db2.gz IDDMHDQWXISZEM-MHZLTWQESA-N 1 1 518.702 5.306 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253785 562696967 /nfs/dbraw/zinc/69/69/67/562696967.db2.gz LBWYDRIRXZIEHB-HUROMRQRSA-N 1 1 522.640 5.151 1 0 KKAFMO COc1cc2c3c(c1O)Oc1c4c(cc(OC)c1OC)[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)[N@@H+](C)CC4 ZINC000055749964 562697768 /nfs/dbraw/zinc/69/77/68/562697768.db2.gz QPCFSVGVRHGKFF-NSOVKSMOSA-N 1 1 624.734 6.565 1 0 KKAFMO CC=C1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[N@H+]5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 562697853 /nfs/dbraw/zinc/69/78/53/562697853.db2.gz PTRWWFKHWVYDOM-CVTVRFCHSA-N 1 1 568.765 5.706 1 0 KKAFMO CCCn1c(C)c(C(=O)N(C)CCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1 ZINC000058538170 562698797 /nfs/dbraw/zinc/69/87/97/562698797.db2.gz VFGFQUJVVMQQCU-UHFFFAOYSA-N 1 1 527.540 6.465 1 0 KKAFMO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccn1 ZINC000058541408 562698959 /nfs/dbraw/zinc/69/89/59/562698959.db2.gz VQKXCCMJVBRFIT-UHFFFAOYSA-N 1 1 514.501 5.517 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000058600009 562700862 /nfs/dbraw/zinc/70/08/62/562700862.db2.gz KBMKKADZRZDNII-ILJQZKEFSA-N 1 1 624.821 5.213 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1ncccn1 ZINC000058600009 562700863 /nfs/dbraw/zinc/70/08/63/562700863.db2.gz KBMKKADZRZDNII-ILJQZKEFSA-N 1 1 624.821 5.213 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(cc(C)n6C)c5)c4)CC3)CC2)CC1 ZINC000058660811 562701457 /nfs/dbraw/zinc/70/14/57/562701457.db2.gz PCSSDGKIEAKVNX-UHFFFAOYSA-N 1 1 646.836 5.223 1 0 KKAFMO C[C@@H](Oc1cc(-n2cnc3ccc(O[C@@H]4CCC[N@@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl ZINC000059259522 562701942 /nfs/dbraw/zinc/70/19/42/562701942.db2.gz HLHNFPFYQRRGPP-QZTJIDSGSA-N 1 1 525.074 5.842 1 0 KKAFMO COc1ccc([C@@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000059744828 562702235 /nfs/dbraw/zinc/70/22/35/562702235.db2.gz BVLUFAKPRYIHIB-BKMJKUGQSA-N 1 1 527.661 6.740 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000059796281 562702313 /nfs/dbraw/zinc/70/23/13/562702313.db2.gz KWUONWKBBNMQAD-QHHIVDTJSA-N 1 1 567.651 8.181 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)N(C)Cc3ccccc3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061907956 562703084 /nfs/dbraw/zinc/70/30/84/562703084.db2.gz PIHXNTCSOKHYEJ-UHFFFAOYSA-N 1 1 505.460 5.958 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061908399 562703146 /nfs/dbraw/zinc/70/31/46/562703146.db2.gz KKTBTVQREOATAG-UHFFFAOYSA-N 1 1 521.459 5.624 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)NCCc3ccccn3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061929011 562703629 /nfs/dbraw/zinc/70/36/29/562703629.db2.gz CWZRNKBLWABWTP-UHFFFAOYSA-N 1 1 506.448 5.053 3 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447508 562705396 /nfs/dbraw/zinc/70/53/96/562705396.db2.gz BWLFYVMGFWJXLQ-IACRLCCOSA-N 1 1 550.106 6.765 1 0 KKAFMO CC[N@@H+]1Cc2c(cc3nc4n(-c5ccccc5)nc(C(=O)OC)n4c(=O)c3c2-c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448347 562705491 /nfs/dbraw/zinc/70/54/91/562705491.db2.gz XCPIKKVLNVAPCV-ZXVVBBHZSA-N 1 1 595.703 6.480 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064453992 562705694 /nfs/dbraw/zinc/70/56/94/562705694.db2.gz JCJSAFZMXVQVBR-PMACEKPBSA-N 1 1 534.574 5.173 1 0 in-vivo KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000064490888 562705978 /nfs/dbraw/zinc/70/59/78/562705978.db2.gz OKWHUFWYCMYVFQ-TYPXCFOJSA-N 1 1 552.716 5.071 3 0 KKAFMO Cc1nnc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)o1 ZINC000064513591 562706448 /nfs/dbraw/zinc/70/64/48/562706448.db2.gz IAJYKESLIPSTPI-REUBFRLUSA-N 1 1 625.204 7.457 1 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000064633626 562708953 /nfs/dbraw/zinc/70/89/53/562708953.db2.gz DOVNDOSDULTCGE-LBRLCBGXSA-N 1 1 624.821 5.213 1 0 KKAFMO CC(C)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000064633626 562708954 /nfs/dbraw/zinc/70/89/54/562708954.db2.gz DOVNDOSDULTCGE-LBRLCBGXSA-N 1 1 624.821 5.213 1 0 KKAFMO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073933 562709647 /nfs/dbraw/zinc/70/96/47/562709647.db2.gz QCTSPULDYKATSX-HXUWFJFHSA-N 1 1 621.440 6.800 1 0 KKAFMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000066073933 562709648 /nfs/dbraw/zinc/70/96/48/562709648.db2.gz QCTSPULDYKATSX-HXUWFJFHSA-N 1 1 621.440 6.800 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn2)c1-3 ZINC000066074417 562709869 /nfs/dbraw/zinc/70/98/69/562709869.db2.gz HHPXXUVAVCXMQF-WJOKGBTCSA-N 1 1 631.652 6.909 1 0 KKAFMO CNC(=O)c1cnc(N2CC[N@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000066080424 562710778 /nfs/dbraw/zinc/71/07/78/562710778.db2.gz BQGPSOUAQNSHSM-HHHXNRCGSA-N 1 1 538.523 5.276 1 0 KKAFMO CNC(=O)c1cnc(N2CC[N@@H+](C3CCN(Cc4ccc(Cl)cc4)CC3)[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000066080424 562710779 /nfs/dbraw/zinc/71/07/79/562710779.db2.gz BQGPSOUAQNSHSM-HHHXNRCGSA-N 1 1 538.523 5.276 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000066104833 562711753 /nfs/dbraw/zinc/71/17/53/562711753.db2.gz FOMYDJXGULFNEY-SITIXWHRSA-N 1 1 581.639 5.575 1 0 KKAFMO CC(C)[N@@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)Cc1ccccc1 ZINC000066123822 562712582 /nfs/dbraw/zinc/71/25/82/562712582.db2.gz IZKPDLACVBPOLR-UHFFFAOYSA-N 1 1 521.727 5.103 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136435 562713125 /nfs/dbraw/zinc/71/31/25/562713125.db2.gz FJOUSLJCSOLAGW-GJBCSVNNSA-N 1 1 642.036 6.660 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000066166903 562714170 /nfs/dbraw/zinc/71/41/70/562714170.db2.gz HBRBWGLNHPGTIF-ZLESDFJESA-N 1 1 628.009 6.270 3 0 KKAFMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3cccn4c(=O)cc(N5CCOCC5)nc34)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000066258412 562714947 /nfs/dbraw/zinc/71/49/47/562714947.db2.gz IZTYWGVKCAZWKV-SZPZYZBQSA-N 1 1 597.741 5.004 1 0 KKAFMO C[N@H+]1CCC[C@@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258802 562715130 /nfs/dbraw/zinc/71/51/30/562715130.db2.gz UKGUYMZTTOHLED-LJQANCHMSA-N 1 1 565.566 5.764 1 0 KKAFMO COCC[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066262242 562715497 /nfs/dbraw/zinc/71/54/97/562715497.db2.gz NPICNXRKKUTWHW-UHFFFAOYSA-N 1 1 595.592 5.026 1 0 KKAFMO CC[NH2+][C@H](NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NC[C@@H](C)CC ZINC000067983885 562715654 /nfs/dbraw/zinc/71/56/54/562715654.db2.gz VPYUWYGKAFARRA-AHLDGEFMSA-N 1 1 666.907 5.890 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245723 562716088 /nfs/dbraw/zinc/71/60/88/562716088.db2.gz SEFCGYCHSOJILP-XMMPIXPASA-N 1 1 526.589 5.287 1 0 KKAFMO O=S(=O)(CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1)CC(F)(F)F ZINC000068251026 562716284 /nfs/dbraw/zinc/71/62/84/562716284.db2.gz VPRLBIZASKQOSZ-UHFFFAOYSA-N 1 1 649.066 7.072 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2Cl)cc1 ZINC000071316382 562717935 /nfs/dbraw/zinc/71/79/35/562717935.db2.gz BGBREARCDHTETM-WIOPSUGQSA-N 1 1 509.046 5.054 1 0 KKAFMO C[N@@H+](CC[C@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330165 562719083 /nfs/dbraw/zinc/71/90/83/562719083.db2.gz QJIHBQHUALITFU-DEOSSOPVSA-N 1 1 510.509 5.570 1 0 KKAFMO COc1cc(OC)c(OC)cc1C[NH+](CCc1c[nH]c2ccccc12)Cc1cc(OC)c(OC)cc1OC ZINC000071331081 562719247 /nfs/dbraw/zinc/71/92/47/562719247.db2.gz GIVBMSWNWFIWSV-UHFFFAOYSA-N 1 1 520.626 5.464 1 0 KKAFMO CC(C)c1ccc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334369 562719578 /nfs/dbraw/zinc/71/95/78/562719578.db2.gz OHNIUIOFVVGQRR-NBQDTTAVSA-N 1 1 507.747 7.306 1 0 KKAFMO C[N@@H+]1CC(=Cc2cccc(Br)c2)C2=NC(=S)N[C@H](c3cccc(Br)c3)C2C1 ZINC000071340453 562719752 /nfs/dbraw/zinc/71/97/52/562719752.db2.gz SCXAFDGHPIMNIR-YCZZBHQNSA-N 1 1 505.279 5.014 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103198 562720337 /nfs/dbraw/zinc/72/03/37/562720337.db2.gz GTPMMMDYPWSLBL-WISKXVKBSA-N 1 1 676.053 6.857 3 0 KKAFMO COc1ccc(-n2c(C)c(C(=O)NCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)nc2-c2ccccc2)cc1 ZINC000072104650 562720582 /nfs/dbraw/zinc/72/05/82/562720582.db2.gz VRIQCARJLNVYOS-UHFFFAOYSA-N 1 1 578.544 6.105 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)NC2CC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109725 562721610 /nfs/dbraw/zinc/72/16/10/562721610.db2.gz KOFTZFGNGACTCM-YIKNKFAXSA-N 1 1 626.232 7.093 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072111313 562721939 /nfs/dbraw/zinc/72/19/39/562721939.db2.gz OSPNJAOCAWIDDT-FLBADVGZSA-N 1 1 670.285 7.110 1 0 KKAFMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112007 562722022 /nfs/dbraw/zinc/72/20/22/562722022.db2.gz NLRTZUWVHGZTCY-FYCJCQSNSA-N 1 1 624.810 6.132 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072113427 562722374 /nfs/dbraw/zinc/72/23/74/562722374.db2.gz UXNWJLXUFSAETJ-FIRIVFDPSA-N 1 1 595.571 6.108 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)c1ccc(C(C)(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000072123306 562724706 /nfs/dbraw/zinc/72/47/06/562724706.db2.gz NBPPCOOERKVTBL-PNIVXHRMSA-N 1 1 543.748 5.822 1 0 KKAFMO Cc1cc(OS(=O)(=O)c2ccccc2)cc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000072123787 562725028 /nfs/dbraw/zinc/72/50/28/562725028.db2.gz GCFLTOHGDAHARG-OWHBQTKESA-N 1 1 687.884 5.227 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072134789 562727333 /nfs/dbraw/zinc/72/73/33/562727333.db2.gz LFOFHFFJVCGFFS-KWRMZWAXSA-N 1 1 662.026 6.467 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000072136499 562728014 /nfs/dbraw/zinc/72/80/14/562728014.db2.gz NLDQNXPJJNOIIK-OVWOLCBMSA-N 1 1 578.713 5.353 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072138043 562728580 /nfs/dbraw/zinc/72/85/80/562728580.db2.gz NNHYDAJISGOSNF-RLCGNTSFSA-N 1 1 654.151 5.441 3 0 KKAFMO CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc1ccccc1)OCCCC[C@H](C)O2 ZINC000072138492 562728773 /nfs/dbraw/zinc/72/87/73/562728773.db2.gz SIHQACFNVCTPOW-OLHJXYGRSA-N 1 1 582.786 5.144 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072141476 562729359 /nfs/dbraw/zinc/72/93/59/562729359.db2.gz AKQNKKMRLDVHJD-UHFFFAOYSA-N 1 1 570.513 5.310 3 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072141794 562729397 /nfs/dbraw/zinc/72/93/97/562729397.db2.gz DITLBWUCZCNKIY-XDWGWCSASA-N 1 1 643.806 5.515 3 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072141794 562729398 /nfs/dbraw/zinc/72/93/98/562729398.db2.gz DITLBWUCZCNKIY-XDWGWCSASA-N 1 1 643.806 5.515 3 0 KKAFMO COc1ccc(NS(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CC[NH+](CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000072148959 562730016 /nfs/dbraw/zinc/73/00/16/562730016.db2.gz UZOCTPARSJOREP-UHFFFAOYSA-N 1 1 744.984 5.815 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072158219 562730182 /nfs/dbraw/zinc/73/01/82/562730182.db2.gz NVXADGOQGPIPIO-ANUHUJQCSA-N 1 1 643.749 9.848 3 0 KKAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000072174905 562731230 /nfs/dbraw/zinc/73/12/30/562731230.db2.gz JIZWRKLXONRFPJ-NDEPHWFRSA-N 1 1 621.010 5.191 1 0 KKAFMO O=C(Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000072175497 562731326 /nfs/dbraw/zinc/73/13/26/562731326.db2.gz NHDWFXLZUDERSO-MUUNZHRXSA-N 1 1 655.455 5.844 1 0 KKAFMO CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(=O)C[NH3+])CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C ZINC000072180778 562732591 /nfs/dbraw/zinc/73/25/91/562732591.db2.gz USAJJSCYHHKPGY-XLUJFELQSA-N 1 1 513.807 7.303 1 0 KKAFMO Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1C[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182178 562732858 /nfs/dbraw/zinc/73/28/58/562732858.db2.gz SBFIOSDRDYETRF-HXUWFJFHSA-N 1 1 515.498 5.458 1 0 KKAFMO CCN(CC)C(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000073139506 562733456 /nfs/dbraw/zinc/73/34/56/562733456.db2.gz AEQMXNHFCMAJOR-LJAQVGFWSA-N 1 1 540.730 5.187 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2ccc(NC(=O)OC)cc2)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073197415 562735385 /nfs/dbraw/zinc/73/53/85/562735385.db2.gz QAOGVKCUBLBWDE-UHFFFAOYSA-N 1 1 529.656 6.584 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000073197653 562735402 /nfs/dbraw/zinc/73/54/02/562735402.db2.gz GJLNDEKDUVZOPE-SFTDATJTSA-N 1 1 561.506 6.011 1 0 KKAFMO COc1ccc(C2([NH2+][C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccc(F)cc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219771 562736212 /nfs/dbraw/zinc/73/62/12/562736212.db2.gz LPWVPNDDNXQLEM-FPNNDXFKSA-N 1 1 587.765 6.042 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000073353262 562738354 /nfs/dbraw/zinc/73/83/54/562738354.db2.gz UVVXBADVWWGZMY-MRHQGJBWSA-N 1 1 601.788 5.866 3 0 KKAFMO COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2C(=O)N(Cc2cc(CC[NH2+]CC(F)F)ccc2Cl)C2CC2)cc1 ZINC000082140795 562739580 /nfs/dbraw/zinc/73/95/80/562739580.db2.gz GGCBCXNVXTWUBW-JGCGQSQUSA-N 1 1 685.212 5.228 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164704 562741184 /nfs/dbraw/zinc/74/11/84/562741184.db2.gz SZDNRBMQYZRUIM-VBTAUBHQSA-N 1 1 691.862 5.110 1 0 KKAFMO C=CC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2c(F)cccc2F)cc1 ZINC000084462418 562743140 /nfs/dbraw/zinc/74/31/40/562743140.db2.gz NRKJNLGDLQHQNW-UHFFFAOYSA-N 1 1 611.649 5.423 1 0 KKAFMO C=CC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2c(F)cccc2F)cc1 ZINC000084462418 562743141 /nfs/dbraw/zinc/74/31/41/562743141.db2.gz NRKJNLGDLQHQNW-UHFFFAOYSA-N 1 1 611.649 5.423 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000084596392 562743669 /nfs/dbraw/zinc/74/36/69/562743669.db2.gz QYZDZUQKTRTMQJ-BJKOFHAPSA-N 1 1 575.531 6.986 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084617259 562744809 /nfs/dbraw/zinc/74/48/09/562744809.db2.gz ZFTVPSJPUDCIHD-IBGZPJMESA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084617259 562744810 /nfs/dbraw/zinc/74/48/10/562744810.db2.gz ZFTVPSJPUDCIHD-IBGZPJMESA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)cc2F)n1 ZINC000084634158 562745852 /nfs/dbraw/zinc/74/58/52/562745852.db2.gz HQLVTAKQJIEMGS-BJKOFHAPSA-N 1 1 542.621 5.957 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652428 562746548 /nfs/dbraw/zinc/74/65/48/562746548.db2.gz SIKRLXCMRFQZMV-PVVRQRKMSA-N 1 1 627.188 8.863 1 0 KKAFMO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)c(Cl)c1 ZINC000084668544 562747680 /nfs/dbraw/zinc/74/76/80/562747680.db2.gz HGARXRXLHSFNEX-UHFFFAOYSA-N 1 1 529.822 5.380 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724573 562751166 /nfs/dbraw/zinc/75/11/66/562751166.db2.gz HNULYTNKPUHCGU-WTRBYFHCSA-N 1 1 564.689 7.592 1 0 KKAFMO CNC(=O)Oc1cccc(C[N@@H+](C)CCCCCCCOc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000084759591 562753020 /nfs/dbraw/zinc/75/30/20/562753020.db2.gz RTMBGYVFBGIVHT-UHFFFAOYSA-N 1 1 528.649 6.640 1 0 KKAFMO CN(CCNC(=O)CCCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536801 562754195 /nfs/dbraw/zinc/75/41/95/562754195.db2.gz PLYHJGZNJIKTSD-UHFFFAOYSA-N 1 1 819.794 6.472 1 0 KKAFMO CN(CCNC(=O)CCCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536801 562754196 /nfs/dbraw/zinc/75/41/96/562754196.db2.gz PLYHJGZNJIKTSD-UHFFFAOYSA-N 1 1 819.794 6.472 1 0 KKAFMO CC[N@@H+](C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OCc1nccs1 ZINC000095538112 562754510 /nfs/dbraw/zinc/75/45/10/562754510.db2.gz CSWTXNVAULACPE-XPSQVAKYSA-N 1 1 806.023 8.455 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccccc5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095557681 562762217 /nfs/dbraw/zinc/76/22/17/562762217.db2.gz MMOVKWAFRJUUCC-UHFFFAOYSA-N 1 1 780.439 6.816 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000095564999 562764549 /nfs/dbraw/zinc/76/45/49/562764549.db2.gz LFOFHFFJVCGFFS-BBACVFHCSA-N 1 1 662.026 6.467 3 0 KKAFMO 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)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566322 562764910 /nfs/dbraw/zinc/76/49/10/562764910.db2.gz CZGXFYZCYNDJOB-VBEKBXFHSA-N 1 1 752.797 8.296 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566416 562764928 /nfs/dbraw/zinc/76/49/28/562764928.db2.gz WUSLFCKOLHKAFM-HQPLKVBUSA-N 1 1 654.006 6.423 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566391 562764943 /nfs/dbraw/zinc/76/49/43/562764943.db2.gz CFABTZAAJDECGO-PDTNBVABSA-N 1 1 628.814 6.214 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566499 562765006 /nfs/dbraw/zinc/76/50/06/562765006.db2.gz UFTUBZJHXRESLK-HHPFYWKMSA-N 1 1 724.723 6.861 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566523 562765082 /nfs/dbraw/zinc/76/50/82/562765082.db2.gz JUEHVKXRGUAEIX-WEVAMHJFSA-N 1 1 753.690 8.584 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566770 562765248 /nfs/dbraw/zinc/76/52/48/562765248.db2.gz BRPKOIUAXBFUAW-XUKQSAIQSA-N 1 1 622.766 6.358 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566836 562765314 /nfs/dbraw/zinc/76/53/14/562765314.db2.gz YKJQWERUMMRZAT-CUBHQPEVSA-N 1 1 642.800 7.503 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566960 562765393 /nfs/dbraw/zinc/76/53/93/562765393.db2.gz BYLIWFZGYMHZPB-AZAGJHQNSA-N 1 1 674.764 7.297 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567083 562765481 /nfs/dbraw/zinc/76/54/81/562765481.db2.gz DVQUFFYKIBJZKN-JBIYDAGWSA-N 1 1 656.827 7.432 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567240 562765615 /nfs/dbraw/zinc/76/56/15/562765615.db2.gz NLDQNXPJJNOIIK-CAHKVJEUSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567267 562765652 /nfs/dbraw/zinc/76/56/52/562765652.db2.gz BQBZRBUVQKQZDQ-ZORUDCLVSA-N 1 1 818.938 8.111 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567321 562765704 /nfs/dbraw/zinc/76/57/04/562765704.db2.gz HOPYMWLRLXEYET-HLWKFRGCSA-N 1 1 708.816 5.175 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567653 562765972 /nfs/dbraw/zinc/76/59/72/562765972.db2.gz NLDQNXPJJNOIIK-NCLPYWGKSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568160 562766372 /nfs/dbraw/zinc/76/63/72/562766372.db2.gz PBKGJIYWLALRHB-CUBHQPEVSA-N 1 1 660.815 6.504 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568205 562766403 /nfs/dbraw/zinc/76/64/03/562766403.db2.gz QLYAZMSBNLAUET-TWVHRYOLSA-N 1 1 692.842 5.735 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568330 562766535 /nfs/dbraw/zinc/76/65/35/562766535.db2.gz MSWYKZTXSBUWAM-ZYADHFCISA-N 1 1 646.027 6.761 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568659 562766804 /nfs/dbraw/zinc/76/68/04/562766804.db2.gz HPUMWFTUTXMAAY-YPMZNXIVSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568659 562766805 /nfs/dbraw/zinc/76/68/05/562766805.db2.gz HPUMWFTUTXMAAY-YPMZNXIVSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568832 562766978 /nfs/dbraw/zinc/76/69/78/562766978.db2.gz AOGINIYPPPQZNW-DVEXYGBFSA-N 1 1 702.856 5.546 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095568904 562766981 /nfs/dbraw/zinc/76/69/81/562766981.db2.gz CDIQXANOTLSTIU-CAMFVRPXSA-N 1 1 714.867 6.599 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568888 562766993 /nfs/dbraw/zinc/76/69/93/562766993.db2.gz ORNNHAIJDBYIOA-GVNDJSPXSA-N 1 1 590.592 5.793 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095569072 562767098 /nfs/dbraw/zinc/76/70/98/562767098.db2.gz UVVGEXYAUAGWIN-DGHZZKTQSA-N 1 1 624.757 6.418 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569118 562767163 /nfs/dbraw/zinc/76/71/63/562767163.db2.gz FDPNJYFOMMKIAG-SPWOZAQASA-N 1 1 780.073 6.136 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569562 562767492 /nfs/dbraw/zinc/76/74/92/562767492.db2.gz NLDQNXPJJNOIIK-PNRGXICFSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095569501 562767496 /nfs/dbraw/zinc/76/74/96/562767496.db2.gz TXGYYWCQXDVHML-ULIDOWHDSA-N 1 1 634.699 6.855 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095569615 562767560 /nfs/dbraw/zinc/76/75/60/562767560.db2.gz CMTIPOGQFXEGCZ-XUKQSAIQSA-N 1 1 655.840 5.321 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570382 562768158 /nfs/dbraw/zinc/76/81/58/562768158.db2.gz BCUCLIMAYGDMQB-LSJJIYBBSA-N 1 1 682.797 5.585 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095570632 562768315 /nfs/dbraw/zinc/76/83/15/562768315.db2.gz QWTHGLUFUCUWTA-MJZSVGSSSA-N 1 1 684.705 7.102 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000095570690 562768361 /nfs/dbraw/zinc/76/83/61/562768361.db2.gz IYUYFFMDIZMYQH-CUPIEXAXSA-N 1 1 619.989 6.227 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570802 562768470 /nfs/dbraw/zinc/76/84/70/562768470.db2.gz FUZWWGXSJONWBM-IOKPGSKQSA-N 1 1 652.636 6.720 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571180 562768849 /nfs/dbraw/zinc/76/88/49/562768849.db2.gz FKTABSPDLVGIRZ-VLKVQYIGSA-N 1 1 710.872 7.140 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095571210 562768893 /nfs/dbraw/zinc/76/88/93/562768893.db2.gz JQYQEVXVIORBSR-DRSMIVCTSA-N 1 1 635.592 7.143 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095571327 562768924 /nfs/dbraw/zinc/76/89/24/562768924.db2.gz IQSVNIDGIMJPQN-UVNCRYBCSA-N 1 1 592.740 5.282 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095571573 562769085 /nfs/dbraw/zinc/76/90/85/562769085.db2.gz NLDQNXPJJNOIIK-NPPPIGHJSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571538 562769094 /nfs/dbraw/zinc/76/90/94/562769094.db2.gz DEMCBGNJFOTASI-QWQFASRJSA-N 1 1 638.589 5.214 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OC/C=C/c5ccccc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000095573273 562769642 /nfs/dbraw/zinc/76/96/42/562769642.db2.gz DWLGMXSQIHCWQW-ZMEWCLFHSA-N 1 1 603.162 7.544 1 0 KKAFMO COC(=O)[C@H]1C[N@H+](CCSc2sccc2P(=O)(OC(C)C)OC(C)C)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21 ZINC000095574977 562770126 /nfs/dbraw/zinc/77/01/26/562770126.db2.gz BSNXKDXESJMSKM-KCWPFWIISA-N 1 1 662.811 6.840 1 0 KKAFMO COC(=O)[C@H]1C[N@@H+](CCSc2sccc2P(=O)(OC(C)C)OC(C)C)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21 ZINC000095574977 562770127 /nfs/dbraw/zinc/77/01/27/562770127.db2.gz BSNXKDXESJMSKM-KCWPFWIISA-N 1 1 662.811 6.840 1 0 KKAFMO COc1ccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)cc1OC ZINC000095578357 562771245 /nfs/dbraw/zinc/77/12/45/562771245.db2.gz PFHADHZVZJHAFZ-UHFFFAOYSA-N 1 1 591.748 8.809 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]2C[N@H+](C3CCOCC3)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000095579675 562771608 /nfs/dbraw/zinc/77/16/08/562771608.db2.gz AVJLFUWVJXKCKU-LDENZZFPSA-N 1 1 545.083 5.407 1 0 KKAFMO C[N@H+]1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095586901 562774106 /nfs/dbraw/zinc/77/41/06/562774106.db2.gz XOFOWYPZUOEZJF-DCCHFUKUSA-N 1 1 524.595 6.587 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(F)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095587737 562774412 /nfs/dbraw/zinc/77/44/12/562774412.db2.gz WVXQNRBKMRKASO-UHFFFAOYSA-N 1 1 599.629 7.503 1 0 KKAFMO CCc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c(C)n[nH]c21 ZINC000095591010 562775433 /nfs/dbraw/zinc/77/54/33/562775433.db2.gz BMBUNRAVRJCKBO-MGBGTMOVSA-N 1 1 654.860 5.043 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)NC1CCCCC1 ZINC000095591450 562775664 /nfs/dbraw/zinc/77/56/64/562775664.db2.gz HTIDKVUWWFFRRM-UHFFFAOYSA-N 1 1 533.717 6.464 1 0 KKAFMO Cn1cc(-c2ccc(CN3c4ccccc4[C@]4(CC[N@H+](C5CCCC5)C4)C3=O)c(F)c2)c(C(F)(F)F)n1 ZINC000095592078 562775809 /nfs/dbraw/zinc/77/58/09/562775809.db2.gz YLLKPXACGBRZJC-HHHXNRCGSA-N 1 1 512.551 5.678 1 0 KKAFMO O=C(N[C@@H](C(=O)Nc1cc([C@H](CO)[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095593275 562776182 /nfs/dbraw/zinc/77/61/82/562776182.db2.gz LKLJXPROGULUMH-OIDHKYIRSA-N 1 1 613.714 6.347 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095598950 562777674 /nfs/dbraw/zinc/77/76/74/562777674.db2.gz NGSMHOKAGHIENU-GLPSKGHJSA-N 1 1 623.839 5.463 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598994 562777700 /nfs/dbraw/zinc/77/77/00/562777700.db2.gz LFZLAWVTNRSJHJ-HJBDBDOVSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599419 562778058 /nfs/dbraw/zinc/77/80/58/562778058.db2.gz RXIJSVCALBVVES-BEAGFIRGSA-N 1 1 706.733 6.722 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600125 562778618 /nfs/dbraw/zinc/77/86/18/562778618.db2.gz RBOAJFBNHJWMOW-GMERYBDXSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600142 562778635 /nfs/dbraw/zinc/77/86/35/562778635.db2.gz CHFYKRHHVBHPRB-QZCKSCMDSA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600080 562778656 /nfs/dbraw/zinc/77/86/56/562778656.db2.gz URXZZUBQVMOKIH-CUMRGQLISA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600080 562778657 /nfs/dbraw/zinc/77/86/57/562778657.db2.gz URXZZUBQVMOKIH-CUMRGQLISA-N 1 1 641.017 5.800 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095600547 562779009 /nfs/dbraw/zinc/77/90/09/562779009.db2.gz RZMKFQMJULYPIX-DXZWXPFGSA-N 1 1 657.833 5.444 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095600768 562779223 /nfs/dbraw/zinc/77/92/23/562779223.db2.gz QYDRUHXYGFHOMI-MVYHEMRASA-N 1 1 626.628 5.137 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095603681 562780605 /nfs/dbraw/zinc/78/06/05/562780605.db2.gz FDDMFJKLVOMWML-ZCKQCUHLSA-N 1 1 703.683 7.704 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095603717 562780665 /nfs/dbraw/zinc/78/06/65/562780665.db2.gz FDAULICGQFNBRP-BXOOBUKZSA-N 1 1 540.626 5.862 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604036 562780831 /nfs/dbraw/zinc/78/08/31/562780831.db2.gz FJNSKGNJNIWDNP-VKIDHGPPSA-N 1 1 640.124 5.512 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604036 562780832 /nfs/dbraw/zinc/78/08/32/562780832.db2.gz FJNSKGNJNIWDNP-VKIDHGPPSA-N 1 1 640.124 5.512 1 0 KKAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1 ZINC000095604549 562781035 /nfs/dbraw/zinc/78/10/35/562781035.db2.gz UFJFLQUSVAOZJI-OQIQTSLJSA-N 1 1 611.743 5.125 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604586 562781100 /nfs/dbraw/zinc/78/11/00/562781100.db2.gz UIKXZKCHSBRXDR-VUYBWUDLSA-N 1 1 705.840 6.434 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095604571 562781132 /nfs/dbraw/zinc/78/11/32/562781132.db2.gz VEYXNSARLJIJRR-FBTROWELSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095605095 562781398 /nfs/dbraw/zinc/78/13/98/562781398.db2.gz CHFYKRHHVBHPRB-NAJARDBOSA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095605442 562781595 /nfs/dbraw/zinc/78/15/95/562781595.db2.gz FKBDGSUSUALVGO-RCFCZGBRSA-N 1 1 674.842 6.433 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095605713 562781677 /nfs/dbraw/zinc/78/16/77/562781677.db2.gz DQMSHBPWTQYHPD-QMXNRGECSA-N 1 1 690.631 7.202 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607366 562782759 /nfs/dbraw/zinc/78/27/59/562782759.db2.gz DUVCGNYAXUOTQC-PKZQBKLLSA-N 1 1 512.698 5.149 1 0 KKAFMO Cc1cc(C)n2ncc(C3CC[NH+](C[C@H]4C[N@H+]([C@H](CC5CCC5)C(=O)[O-])C[C@@H]4c4cccc(F)c4)CC3)c2n1 ZINC000095607695 562783032 /nfs/dbraw/zinc/78/30/32/562783032.db2.gz DGTIAKQTRLSQQA-RFYMFKDESA-N 1 1 533.692 5.024 1 0 KKAFMO CC(C)N1C[C@@H](C[N@@H+](C)[C@@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665585 562788189 /nfs/dbraw/zinc/78/81/89/562788189.db2.gz DDRAIKDBHFHCOA-WMZHIEFXSA-N 1 1 507.034 5.292 1 0 KKAFMO CC(C)N1C[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665568 562788171 /nfs/dbraw/zinc/78/81/71/562788171.db2.gz ZOJYMANGPPSVIB-HXUWFJFHSA-N 1 1 527.452 5.384 1 0 KKAFMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCNc4cc[nH+]c5cc(Cl)ccc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000095614862 562786943 /nfs/dbraw/zinc/78/69/43/562786943.db2.gz ADXAYIJOMATPNA-DUKHWZQISA-N 1 1 738.366 7.506 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666455 562788215 /nfs/dbraw/zinc/78/82/15/562788215.db2.gz RZBAHHBRQVWZMS-KAUPTSPVSA-N 1 1 617.790 7.128 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@@H+](Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680113 562788335 /nfs/dbraw/zinc/78/83/35/562788335.db2.gz GFBOARZMZBDAJD-ISTJGCCRSA-N 1 1 573.738 5.286 1 0 KKAFMO COc1ccccc1C[N@H+]1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC[C@H]1C ZINC000095680355 562788342 /nfs/dbraw/zinc/78/83/42/562788342.db2.gz DKEIESBWASZHQX-CEFNRUSXSA-N 1 1 590.721 5.354 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095754506 562788865 /nfs/dbraw/zinc/78/88/65/562788865.db2.gz NNHYDAJISGOSNF-CGQTXMLISA-N 1 1 654.151 5.441 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095776265 562789081 /nfs/dbraw/zinc/78/90/81/562789081.db2.gz BYLIWFZGYMHZPB-AWYDNWMNSA-N 1 1 674.764 7.297 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809835 562789255 /nfs/dbraw/zinc/78/92/55/562789255.db2.gz AOGINIYPPPQZNW-PJZRLIRTSA-N 1 1 702.856 5.546 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095860327 562789704 /nfs/dbraw/zinc/78/97/04/562789704.db2.gz KVUBTNFMPQUODB-LFQYBHLRSA-N 1 1 574.766 5.092 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872168 562790006 /nfs/dbraw/zinc/79/00/06/562790006.db2.gz OBJZWXNARBCFCY-ZOYWYXQUSA-N 1 1 603.723 6.971 1 0 KKAFMO Cc1cc(-c2c(Cl)ccc(O)c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCC[NH+]4CCCC4)cc3)nc12 ZINC000096167819 562790648 /nfs/dbraw/zinc/79/06/48/562790648.db2.gz NSDHUQIDMUWWBH-UHFFFAOYSA-N 1 1 556.063 5.502 1 0 KKAFMO CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174206 562791810 /nfs/dbraw/zinc/79/18/10/562791810.db2.gz UHRFQLODOGBNCC-BHVANESWSA-N 1 1 647.780 5.888 1 0 KKAFMO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+](CCS(C)(=O)=O)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177920 562792469 /nfs/dbraw/zinc/79/24/69/562792469.db2.gz TYZZCSXPSQTMNV-UHFFFAOYSA-N 1 1 683.901 5.650 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2ccccc2)CC1 ZINC000096302065 562796266 /nfs/dbraw/zinc/79/62/66/562796266.db2.gz AEIOWUHRHMTSSU-QTKNLHBISA-N 1 1 528.741 5.498 1 0 KKAFMO CCNC(=O)NCc1ccccc1C1(O)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318636 562796533 /nfs/dbraw/zinc/79/65/33/562796533.db2.gz PEWJLCPHBNRFOD-UHFFFAOYSA-N 1 1 512.481 5.886 1 0 KKAFMO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)[N@H+]2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 562797309 /nfs/dbraw/zinc/79/73/09/562797309.db2.gz HGNGRWBMZSEYMD-TWJUONSBSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 562797310 /nfs/dbraw/zinc/79/73/10/562797310.db2.gz HGNGRWBMZSEYMD-TWJUONSBSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 562797311 /nfs/dbraw/zinc/79/73/11/562797311.db2.gz HGNGRWBMZSEYMD-TWJUONSBSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)[N@H+]2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 562797333 /nfs/dbraw/zinc/79/73/33/562797333.db2.gz HGNGRWBMZSEYMD-UZNNEEJFSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CC[N@H+](Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 562797334 /nfs/dbraw/zinc/79/73/34/562797334.db2.gz HGNGRWBMZSEYMD-UZNNEEJFSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 562797335 /nfs/dbraw/zinc/79/73/35/562797335.db2.gz HGNGRWBMZSEYMD-UZNNEEJFSA-N 1 1 504.718 7.208 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@H+](C)[C@@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908709 562799425 /nfs/dbraw/zinc/79/94/25/562799425.db2.gz ZEYRMSIQYBSOGW-LKMJEWJPSA-N 1 1 654.708 6.778 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@@H+](C)[C@@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908709 562799426 /nfs/dbraw/zinc/79/94/26/562799426.db2.gz ZEYRMSIQYBSOGW-LKMJEWJPSA-N 1 1 654.708 6.778 1 0 KKAFMO CC(C)[C@@H](C[N@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000096909603 562799620 /nfs/dbraw/zinc/79/96/20/562799620.db2.gz MMTMYODLXHKBCI-RBTNQOKQSA-N 1 1 552.513 5.912 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccc(F)cc1 ZINC000096911419 562800202 /nfs/dbraw/zinc/80/02/02/562800202.db2.gz GSHXFUXXVKYLAD-UHFFFAOYSA-N 1 1 507.997 6.274 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000096913900 562800426 /nfs/dbraw/zinc/80/04/26/562800426.db2.gz HECVVZXYSJTBSB-LJAQVGFWSA-N 1 1 552.671 6.169 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000096913900 562800427 /nfs/dbraw/zinc/80/04/27/562800427.db2.gz HECVVZXYSJTBSB-LJAQVGFWSA-N 1 1 552.671 6.169 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000096913906 562800445 /nfs/dbraw/zinc/80/04/45/562800445.db2.gz ULWOQYXTZAOOPO-SXOMAYOGSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000096913906 562800446 /nfs/dbraw/zinc/80/04/46/562800446.db2.gz ULWOQYXTZAOOPO-SXOMAYOGSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC(c3ccccc3)CC2)cc1OC ZINC000096913924 562800540 /nfs/dbraw/zinc/80/05/40/562800540.db2.gz NSPAPGGUGSNCLT-MUUNZHRXSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC(c3ccccc3)CC2)cc1OC ZINC000096913924 562800541 /nfs/dbraw/zinc/80/05/41/562800541.db2.gz NSPAPGGUGSNCLT-MUUNZHRXSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@H]2SC(=O)N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000096922112 562801678 /nfs/dbraw/zinc/80/16/78/562801678.db2.gz RKHLUIULTYXGQL-TWJUONSBSA-N 1 1 605.764 5.796 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1 ZINC000096923973 562802217 /nfs/dbraw/zinc/80/22/17/562802217.db2.gz PLLWOIRCBAIRMF-PMERELPUSA-N 1 1 567.199 5.532 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1C(=O)Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000096928320 562802879 /nfs/dbraw/zinc/80/28/79/562802879.db2.gz QTNCCBNVGSFFAJ-UHFFFAOYSA-N 1 1 601.122 6.619 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Br)cc1 ZINC000096939387 562804746 /nfs/dbraw/zinc/80/47/46/562804746.db2.gz NPWKFVGMLLDHKU-SANMLTNESA-N 1 1 643.957 6.196 1 0 KKAFMO CNC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076181 562806578 /nfs/dbraw/zinc/80/65/78/562806578.db2.gz SVPFWIZUSKHHBB-PKQPGRETSA-N 1 1 569.754 5.494 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CCC1)C2 ZINC000100076394 562806654 /nfs/dbraw/zinc/80/66/54/562806654.db2.gz WVSHBJDPKPHLGS-GRJQRVBMSA-N 1 1 594.804 6.481 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000101161489 562809552 /nfs/dbraw/zinc/80/95/52/562809552.db2.gz ZSFWWXDTAGTEIQ-UQWUFBTJSA-N 1 1 521.109 6.660 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)C)CC1 ZINC000101193462 562809773 /nfs/dbraw/zinc/80/97/73/562809773.db2.gz DPTAFEGODXQGLH-KUMHGWDASA-N 1 1 513.730 6.055 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000101193469 562809811 /nfs/dbraw/zinc/80/98/11/562809811.db2.gz OKYWCZZUCLHFSJ-YHTXFFTCSA-N 1 1 615.744 8.187 1 0 KKAFMO CCN(C(=O)Cc1ccc(OC)cc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000101228508 562810061 /nfs/dbraw/zinc/81/00/61/562810061.db2.gz UGRYBQQJOKDQHB-CIXDGQAGSA-N 1 1 517.714 5.129 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000101600798 562811383 /nfs/dbraw/zinc/81/13/83/562811383.db2.gz GMZOGMORLAJOAZ-YIOBJHAYSA-N 1 1 530.709 5.894 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCC[N@@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645501 562811519 /nfs/dbraw/zinc/81/15/19/562811519.db2.gz BGWJXKZYWIIMQN-YADHBBJMSA-N 1 1 544.614 6.139 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000101645128 562811521 /nfs/dbraw/zinc/81/15/21/562811521.db2.gz GJLNDEKDUVZOPE-NHCUHLMSSA-N 1 1 561.506 6.011 1 0 KKAFMO CC(C)N1CC[NH+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696234 562811817 /nfs/dbraw/zinc/81/18/17/562811817.db2.gz KERUUMIVCIEOOT-UHFFFAOYSA-N 1 1 583.754 6.069 1 0 KKAFMO O=c1cc(N2CCOCC2)oc2c1cccc2-c1ccc(OCC[NH+]2CCOCC2)c2c3ccccc3sc21 ZINC000101696406 562811887 /nfs/dbraw/zinc/81/18/87/562811887.db2.gz UWCWZGNEEJJVHZ-UHFFFAOYSA-N 1 1 542.657 5.376 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3SC=CN3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929150 562813534 /nfs/dbraw/zinc/81/35/34/562813534.db2.gz XRLXAIBHEHFVBX-PGSXWIQSSA-N 1 1 505.640 5.325 1 0 KKAFMO CCCCC[C@H](C)[N@H+](Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218551 562817284 /nfs/dbraw/zinc/81/72/84/562817284.db2.gz FIONLWWAACCOFK-JHOBJCJYSA-N 1 1 582.782 6.954 1 0 KKAFMO CCCCC[C@H](C)[N@@H+](Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218551 562817285 /nfs/dbraw/zinc/81/72/85/562817285.db2.gz FIONLWWAACCOFK-JHOBJCJYSA-N 1 1 582.782 6.954 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccccc2)CC1 ZINC000103234829 562818673 /nfs/dbraw/zinc/81/86/73/562818673.db2.gz DMPWIWPBMBPTAD-YHTXFFTCSA-N 1 1 567.177 7.430 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103235739 562818725 /nfs/dbraw/zinc/81/87/25/562818725.db2.gz QXTAYJOITNMSIV-KUMHGWDASA-N 1 1 563.186 7.525 1 0 KKAFMO Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2[nH]c3ccccc3[nH+]2)c2ccc(Cl)cn2)c1 ZINC000103264096 562821897 /nfs/dbraw/zinc/82/18/97/562821897.db2.gz VINIGNOYIVRCAW-AREMUKBSSA-N 1 1 510.922 7.368 1 0 KKAFMO Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2[nH]c3ccccc3[nH+]2)c2ccc(Cl)cn2)c1 ZINC000103264094 562821907 /nfs/dbraw/zinc/82/19/07/562821907.db2.gz VINIGNOYIVRCAW-SANMLTNESA-N 1 1 510.922 7.368 1 0 KKAFMO COc1cc2ncnc(Nc3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000103297187 562824580 /nfs/dbraw/zinc/82/45/80/562824580.db2.gz FOUAIICDWNVJON-UHFFFAOYSA-N 1 1 581.048 5.920 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC([N@H+]5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114039361 562827394 /nfs/dbraw/zinc/82/73/94/562827394.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N 1 1 538.063 6.629 1 0 KKAFMO Cc1cccc(C[N@@H+]2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097427 562827522 /nfs/dbraw/zinc/82/75/22/562827522.db2.gz PEWRVXMBFXTASC-SANMLTNESA-N 1 1 501.067 5.004 1 0 KKAFMO Cc1cccc(C[N@H+]2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097427 562827523 /nfs/dbraw/zinc/82/75/23/562827523.db2.gz PEWRVXMBFXTASC-SANMLTNESA-N 1 1 501.067 5.004 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000114097106 562827547 /nfs/dbraw/zinc/82/75/47/562827547.db2.gz IWFLCYONAPPRPA-XMMPIXPASA-N 1 1 526.121 5.390 1 0 KKAFMO CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000114099415 562827647 /nfs/dbraw/zinc/82/76/47/562827647.db2.gz GWPGARDDTHPRSH-QFIPXVFZSA-N 1 1 501.465 5.117 1 0 KKAFMO COc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100885 562827787 /nfs/dbraw/zinc/82/77/87/562827787.db2.gz VKAMGQWMKDQIKE-HSZRJFAPSA-N 1 1 501.067 5.407 1 0 KKAFMO CC[NH2+][C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115942713 562829121 /nfs/dbraw/zinc/82/91/21/562829121.db2.gz DFGKFQWBYFTPQH-AREMUKBSSA-N 1 1 595.096 6.700 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cc[nH+]c(N)c3)c3ccccc23)cc1 ZINC000118829293 562830777 /nfs/dbraw/zinc/83/07/77/562830777.db2.gz DSBZQMQVJJPSIP-UHFFFAOYSA-N 1 1 534.664 6.874 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960047 562832250 /nfs/dbraw/zinc/83/22/50/562832250.db2.gz PZINVJUNZRLUIM-HKBQPEDESA-N 1 1 547.707 5.856 1 0 KKAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCCC4(CCN(C(=O)C5CCCCC5)CC4)C3=O)c(F)c2)C1 ZINC000140604760 562833212 /nfs/dbraw/zinc/83/32/12/562833212.db2.gz ULEOMEGBKHPHCF-OZXSUGGESA-N 1 1 524.725 5.205 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1sccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000142749110 562834318 /nfs/dbraw/zinc/83/43/18/562834318.db2.gz VJSUXKGZVQRMNW-PIZTWGNASA-N 1 1 507.696 5.110 1 0 KKAFMO CC(C)Nc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000143027922 562834463 /nfs/dbraw/zinc/83/44/63/562834463.db2.gz HVGJZHHGYOCZDF-UHFFFAOYSA-N 1 1 542.651 5.058 1 0 KKAFMO Cc1[nH+]ccn1C[C@H]1CCCN(c2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)C1 ZINC000143491640 562835079 /nfs/dbraw/zinc/83/50/79/562835079.db2.gz CXTIWLCOTVFCBI-SNVBAGLBSA-N 1 1 610.974 6.034 1 0 KKAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1 ZINC000144381398 562836166 /nfs/dbraw/zinc/83/61/66/562836166.db2.gz SKQONWVDCNGVHE-UHFFFAOYSA-N 1 1 554.094 5.903 1 0 KKAFMO Cc1[nH]nc2ccc(C)c(-c3nc4c(c(N5CC([NH+](C)C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c21 ZINC000146940848 562838956 /nfs/dbraw/zinc/83/89/56/562838956.db2.gz KDDXJHWMRSDOEE-UHFFFAOYSA-N 1 1 509.702 5.381 1 0 KKAFMO CC(C)CC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147069323 562839145 /nfs/dbraw/zinc/83/91/45/562839145.db2.gz RGGASZWTQWAWAZ-KOXXDOIJSA-N 1 1 626.572 5.250 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148608461 562841535 /nfs/dbraw/zinc/84/15/35/562841535.db2.gz LFZMHPBICVCVNB-DEOSSOPVSA-N 1 1 512.094 5.000 1 0 KKAFMO COc1cccc(C[N@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000148612700 562841546 /nfs/dbraw/zinc/84/15/46/562841546.db2.gz IETSSHMCIVYCEF-QFIPXVFZSA-N 1 1 517.066 5.025 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC000148906556 562841972 /nfs/dbraw/zinc/84/19/72/562841972.db2.gz DRYUOJICQGNUEQ-VWLOTQADSA-N 1 1 510.122 5.920 1 0 KKAFMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148941615 562841984 /nfs/dbraw/zinc/84/19/84/562841984.db2.gz JAIDXTUIPAUCID-QFIPXVFZSA-N 1 1 519.057 5.546 1 0 KKAFMO COc1cc2c(cc1OCCCC[NH+]1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523282 562843586 /nfs/dbraw/zinc/84/35/86/562843586.db2.gz AWZZSAAPQGCTPG-SANMLTNESA-N 1 1 674.724 5.966 1 0 KKAFMO C[C@H]([NH3+])C(=O)OCCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CO[N+](=O)[O-])C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000150525191 562843764 /nfs/dbraw/zinc/84/37/64/562843764.db2.gz XCNVFMZECMJQRQ-BGDVKOALSA-N 1 1 674.876 6.342 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000150544941 562844373 /nfs/dbraw/zinc/84/43/73/562844373.db2.gz BPTVPAIPDXNWOJ-NNLNNXSESA-N 1 1 674.311 6.904 1 0 KKAFMO CCN[C@@H](Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)OCC ZINC000150591087 562846194 /nfs/dbraw/zinc/84/61/94/562846194.db2.gz RVNHZAFMVUUHKQ-INIZCTEOSA-N 1 1 832.980 5.687 1 0 KKAFMO CCN(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 562847216 /nfs/dbraw/zinc/84/72/16/562847216.db2.gz VEBMGQFZMFBZTK-ATUXXYJQSA-N 1 1 756.992 7.379 1 0 KKAFMO CCc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000164237562 562849549 /nfs/dbraw/zinc/84/95/49/562849549.db2.gz SPHYMLXPNYQMAB-UHFFFAOYSA-N 1 1 710.331 8.420 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(NCCC[NH+]5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000165259050 562849980 /nfs/dbraw/zinc/84/99/80/562849980.db2.gz BMMLURVAYLAUIK-UHFFFAOYSA-N 1 1 650.584 5.596 1 0 KKAFMO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000166834546 562850528 /nfs/dbraw/zinc/85/05/28/562850528.db2.gz NTXXZFLBCFFKHC-UHFFFAOYSA-N 1 1 571.664 6.035 1 0 KKAFMO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000166834546 562850529 /nfs/dbraw/zinc/85/05/29/562850529.db2.gz NTXXZFLBCFFKHC-UHFFFAOYSA-N 1 1 571.664 6.035 1 0 KKAFMO CSc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166983765 562850565 /nfs/dbraw/zinc/85/05/65/562850565.db2.gz WLXXUZBRYVKCGM-UHFFFAOYSA-N 1 1 559.703 5.740 1 0 KKAFMO CSc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166983765 562850566 /nfs/dbraw/zinc/85/05/66/562850566.db2.gz WLXXUZBRYVKCGM-UHFFFAOYSA-N 1 1 559.703 5.740 1 0 KKAFMO Fc1ccc(-c2cn3c(Cl)cnc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000167078273 562850661 /nfs/dbraw/zinc/85/06/61/562850661.db2.gz DCGNAWAKDKLBPU-UHFFFAOYSA-N 1 1 565.056 6.416 1 0 KKAFMO Fc1ccc(-c2cn3c(Cl)cnc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000167078273 562850662 /nfs/dbraw/zinc/85/06/62/562850662.db2.gz DCGNAWAKDKLBPU-UHFFFAOYSA-N 1 1 565.056 6.416 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6cc(Cl)ccn6)n5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167267869 562850693 /nfs/dbraw/zinc/85/06/93/562850693.db2.gz VWZSIMYOKHKOPH-UHFFFAOYSA-N 1 1 598.061 6.258 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cc(Cl)ccn6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167267869 562850694 /nfs/dbraw/zinc/85/06/94/562850694.db2.gz VWZSIMYOKHKOPH-UHFFFAOYSA-N 1 1 598.061 6.258 1 0 KKAFMO Fc1ccc2nc(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1 ZINC000167243729 562850721 /nfs/dbraw/zinc/85/07/21/562850721.db2.gz JCOLZBRYWHHJDN-UHFFFAOYSA-N 1 1 502.597 6.458 1 0 KKAFMO CC(C)Oc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)[C@@]2(C)CC[N@@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000169291670 562851945 /nfs/dbraw/zinc/85/19/45/562851945.db2.gz IATVSUKLTYITSF-ZRIXGVMGSA-N 1 1 536.760 7.048 1 0 KKAFMO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310149 562854683 /nfs/dbraw/zinc/85/46/83/562854683.db2.gz UWULGUFSFZJDEY-BKZGZDJESA-N 1 1 580.685 5.231 1 0 KKAFMO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317797 562856048 /nfs/dbraw/zinc/85/60/48/562856048.db2.gz DPSGNGUIODYZLY-SHQCIBLASA-N 1 1 501.545 5.790 1 0 KKAFMO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)nc3)CC2)c1 ZINC000169321695 562856751 /nfs/dbraw/zinc/85/67/51/562856751.db2.gz XMJPMQZTVSDYSC-UHFFFAOYSA-N 1 1 547.634 6.129 1 0 KKAFMO 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 562857005 /nfs/dbraw/zinc/85/70/05/562857005.db2.gz XKANEACQXQNDQP-BHVANESWSA-N 1 1 745.383 7.473 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c3cccnc23)CC1 ZINC000169329987 562858641 /nfs/dbraw/zinc/85/86/41/562858641.db2.gz FZKOKRYREFVYJO-UHFFFAOYSA-N 1 1 563.743 5.647 1 0 KKAFMO CCC[N@H+]1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@H]1c1ccc(C(C)C)cc1 ZINC000169332088 562859095 /nfs/dbraw/zinc/85/90/95/562859095.db2.gz CRNOHPGCPLJAOD-ZQKNEJEOSA-N 1 1 503.771 7.454 1 0 KKAFMO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350405 562862775 /nfs/dbraw/zinc/86/27/75/562862775.db2.gz MIGGISAQDJIIEI-UHFFFAOYSA-N 1 1 682.753 5.306 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3OC(F)(F)F)c(=O)cc2C)cc1F ZINC000169350403 562862835 /nfs/dbraw/zinc/86/28/35/562862835.db2.gz CIPWVHJQNZNVAN-UHFFFAOYSA-N 1 1 736.723 6.196 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+]2CC[C@@H](C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000169363951 562864379 /nfs/dbraw/zinc/86/43/79/562864379.db2.gz ATYOFXVORANGGC-SYMWFIMMSA-N 1 1 630.899 6.304 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000169372567 562864851 /nfs/dbraw/zinc/86/48/51/562864851.db2.gz UCTGXUBCYYWFLY-WUFINQPMSA-N 1 1 524.661 5.310 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000169707551 562870065 /nfs/dbraw/zinc/87/00/65/562870065.db2.gz FKACFDPWWUNGGY-UXHICEINSA-N 1 1 651.061 5.786 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000169707551 562870066 /nfs/dbraw/zinc/87/00/66/562870066.db2.gz FKACFDPWWUNGGY-UXHICEINSA-N 1 1 651.061 5.786 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCN1[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000195032754 562871520 /nfs/dbraw/zinc/87/15/20/562871520.db2.gz PFKFKTXBGHAJQC-RFTSGOEGSA-N 1 1 742.961 5.829 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCN1[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000195032754 562871521 /nfs/dbraw/zinc/87/15/21/562871521.db2.gz PFKFKTXBGHAJQC-RFTSGOEGSA-N 1 1 742.961 5.829 1 0 KKAFMO O=C(Nc1ccccc1)N[C@@H]1CC[N@H+](CC[C@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000195252666 562871606 /nfs/dbraw/zinc/87/16/06/562871606.db2.gz MENBXQWQAZNXTG-FYBSXPHGSA-N 1 1 567.517 5.647 1 0 KKAFMO CN1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448915 562871892 /nfs/dbraw/zinc/87/18/92/562871892.db2.gz FFFZTEDRBPFNSJ-OETVIHDQSA-N 1 1 529.769 5.532 1 0 KKAFMO CN1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447797 562871894 /nfs/dbraw/zinc/87/18/94/562871894.db2.gz NWCDXZDSLNCFBZ-UZBSQRRVSA-N 1 1 515.742 5.142 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000198835396 562872877 /nfs/dbraw/zinc/87/28/77/562872877.db2.gz SCDVTYVEEOZJQT-WRENHGGMSA-N 1 1 528.722 5.665 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@H+](C)C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000203955167 562874187 /nfs/dbraw/zinc/87/41/87/562874187.db2.gz ZCAFJDRQRAWKAO-GRZVAKJNSA-N 1 1 666.719 6.922 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@@H+](C)C3(CC3)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000203955167 562874188 /nfs/dbraw/zinc/87/41/88/562874188.db2.gz ZCAFJDRQRAWKAO-GRZVAKJNSA-N 1 1 666.719 6.922 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH]nc4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426879 562874469 /nfs/dbraw/zinc/87/44/69/562874469.db2.gz PAECUBUJXZVOQS-NRFANRHFSA-N 1 1 500.651 5.068 1 0 KKAFMO CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490722 562875444 /nfs/dbraw/zinc/87/54/44/562875444.db2.gz UYRKFMAPPBMERN-UHFFFAOYSA-N 1 1 619.737 6.120 1 0 KKAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(CC(C)C)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000205713592 562875732 /nfs/dbraw/zinc/87/57/32/562875732.db2.gz CAVNJAGRHZJNLO-UHFFFAOYSA-N 1 1 600.804 5.371 1 0 KKAFMO CCOC(=O)C1CCC(C[N@@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000206131003 562876354 /nfs/dbraw/zinc/87/63/54/562876354.db2.gz IZGCNCMZPRQSKF-JHUWLELGSA-N 1 1 592.733 5.091 1 0 KKAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(CC(=O)N4CC[NH+](C)CC4)cc3)ncc2C1=O ZINC000207315790 562876727 /nfs/dbraw/zinc/87/67/27/562876727.db2.gz CFKJUVKDABBWPA-UHFFFAOYSA-N 1 1 657.697 5.319 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1F ZINC000222186168 562879780 /nfs/dbraw/zinc/87/97/80/562879780.db2.gz FLHSLGFLDYONEF-UHFFFAOYSA-N 1 1 612.662 5.417 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638455 562882456 /nfs/dbraw/zinc/88/24/56/562882456.db2.gz RCIMAYJLHGXJSS-DMEDLEQBSA-N 1 1 509.137 5.127 1 0 KKAFMO C[N@H+]1CCCN(c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 ZINC000299823746 562883040 /nfs/dbraw/zinc/88/30/40/562883040.db2.gz TUYLFLYCHFXLHM-UHFFFAOYSA-N 1 1 520.633 6.125 1 0 KKAFMO [NH3+][C@H]1CC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)c4ccccc4Cl)c4ccccc34)n2)CC1 ZINC000299825195 562883489 /nfs/dbraw/zinc/88/34/89/562883489.db2.gz WZLNUODSHWYWOC-MEMLXQNLSA-N 1 1 601.132 6.620 1 0 KKAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccc5ccccc5c4)c2CC[N@H+]1C)OCO3 ZINC000299832814 562885963 /nfs/dbraw/zinc/88/59/63/562885963.db2.gz UAKMUIIQAAOXBE-SXOMAYOGSA-N 1 1 539.584 5.702 1 0 KKAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(OC)c3c(c(-c4ccc5ccccc5c4)c2CC[N@@H+]1C)OCO3 ZINC000299832814 562885964 /nfs/dbraw/zinc/88/59/64/562885964.db2.gz UAKMUIIQAAOXBE-SXOMAYOGSA-N 1 1 539.584 5.702 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3Cl)c2C(F)(F)F)cc1F ZINC000299834495 562886457 /nfs/dbraw/zinc/88/64/57/562886457.db2.gz JLCOBIOZIRCTOF-UHFFFAOYSA-N 1 1 714.120 6.696 1 0 KKAFMO Cc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(F)cc34)CC2)c(=O)n2ccccc12 ZINC000299854764 562891466 /nfs/dbraw/zinc/89/14/66/562891466.db2.gz BKDHHUPZMPVXQK-UHFFFAOYSA-N 1 1 522.624 5.627 1 0 KKAFMO Cc1ccc(N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856212 562891891 /nfs/dbraw/zinc/89/18/91/562891891.db2.gz IRXPYSOEJZVFBM-HHHXNRCGSA-N 1 1 605.198 6.269 1 0 KKAFMO CCOc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299858010 562892341 /nfs/dbraw/zinc/89/23/41/562892341.db2.gz FZVNQFHQTVISSR-UHFFFAOYSA-N 1 1 556.707 5.117 1 0 KKAFMO Cc1c(Cl)c(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299858070 562892410 /nfs/dbraw/zinc/89/24/10/562892410.db2.gz GDFJHAWHVPWSSH-UHFFFAOYSA-N 1 1 561.126 5.680 1 0 KKAFMO CO[C@@H]1CCC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862926 562893674 /nfs/dbraw/zinc/89/36/74/562893674.db2.gz KIIVFPPAZKVFDP-HHHXNRCGSA-N 1 1 549.502 7.351 1 0 KKAFMO CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)Nc1cc(C)cc[nH+]1 ZINC000299864185 562894036 /nfs/dbraw/zinc/89/40/36/562894036.db2.gz QRAZQEQUYOEZHI-QHCPKHFHSA-N 1 1 524.061 6.619 1 0 KKAFMO O=C1CCc2ccc(OCCCC[N@@H+]3CC=C(c4cn(Cc5ccccc5)c5ccccc45)CC3)cc2N1 ZINC000299866789 562894740 /nfs/dbraw/zinc/89/47/40/562894740.db2.gz PJDFUWIIHYWFLS-UHFFFAOYSA-N 1 1 505.662 6.523 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473082730 562896754 /nfs/dbraw/zinc/89/67/54/562896754.db2.gz KZXIZZVHSKYRSJ-MUUNZHRXSA-N 1 1 542.039 5.794 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)cc(Br)c2O1 ZINC000473084546 562896906 /nfs/dbraw/zinc/89/69/06/562896906.db2.gz RLLCLKPXUCOREW-AREMUKBSSA-N 1 1 685.804 6.929 1 0 KKAFMO CCCCNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473085238 562896952 /nfs/dbraw/zinc/89/69/52/562896952.db2.gz WBFZJRVLTKJMTG-SSEXGKCCSA-N 1 1 570.093 6.575 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NC(=O)c4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094741 562897811 /nfs/dbraw/zinc/89/78/11/562897811.db2.gz VYCOBGCZODSUNS-PMERELPUSA-N 1 1 549.671 5.414 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NC(=O)c4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094741 562897812 /nfs/dbraw/zinc/89/78/12/562897812.db2.gz VYCOBGCZODSUNS-PMERELPUSA-N 1 1 549.671 5.414 1 0 KKAFMO O=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000473096832 562897903 /nfs/dbraw/zinc/89/79/03/562897903.db2.gz BSJBLDFWZMATNY-ZULHAIFZSA-N 1 1 539.635 5.433 1 0 KKAFMO O=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccccc1)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000473096832 562897904 /nfs/dbraw/zinc/89/79/04/562897904.db2.gz BSJBLDFWZMATNY-ZULHAIFZSA-N 1 1 539.635 5.433 1 0 KKAFMO CC[N@@H+](CCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1)Cc1ccccc1OC ZINC000473115497 562899056 /nfs/dbraw/zinc/89/90/56/562899056.db2.gz TUCZTPCHFSWZTK-UHFFFAOYSA-N 1 1 519.594 5.482 1 0 KKAFMO CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)C[C@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129820 562900072 /nfs/dbraw/zinc/90/00/72/562900072.db2.gz ITXUJDTVHQVSLI-BTIIJPOSSA-N 1 1 509.666 5.771 1 0 KKAFMO Cc1c(NC(=O)c2ccc(F)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CC[NH+](C)CC4)ccc3c21 ZINC000473135791 562900883 /nfs/dbraw/zinc/90/08/83/562900883.db2.gz LAXLQPYVKNTKOK-UHFFFAOYSA-N 1 1 563.633 5.174 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473136006 562900897 /nfs/dbraw/zinc/90/08/97/562900897.db2.gz MRAKHNCPOIFKDK-UHFFFAOYSA-N 1 1 639.696 6.377 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473136006 562900898 /nfs/dbraw/zinc/90/08/98/562900898.db2.gz MRAKHNCPOIFKDK-UHFFFAOYSA-N 1 1 639.696 6.377 1 0 KKAFMO FC(F)(F)c1ccc(O[C@H](CC[NH+]2CCN(C(=S)NC3CCCCC3)CC2)c2ccccc2)cc1 ZINC000473137263 562901180 /nfs/dbraw/zinc/90/11/80/562901180.db2.gz XOWAZILIXDZDCT-RUZDIDTESA-N 1 1 505.650 6.040 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152112 562901721 /nfs/dbraw/zinc/90/17/21/562901721.db2.gz HUFWBIPWZUHEBJ-CTUHWIOQSA-N 1 1 564.126 5.975 1 0 KKAFMO CC(C)C(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+](C)C)CC1 ZINC000473152121 562901746 /nfs/dbraw/zinc/90/17/46/562901746.db2.gz LCCCKMPYNLEMBG-IRJFHVNHSA-N 1 1 514.497 6.707 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473159195 562902594 /nfs/dbraw/zinc/90/25/94/562902594.db2.gz PFUCSUKEJUJOLJ-HSQYWUDLSA-N 1 1 538.063 5.452 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000473159195 562902595 /nfs/dbraw/zinc/90/25/95/562902595.db2.gz PFUCSUKEJUJOLJ-HSQYWUDLSA-N 1 1 538.063 5.452 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473159200 562902637 /nfs/dbraw/zinc/90/26/37/562902637.db2.gz PFUCSUKEJUJOLJ-ZPMCFJSWSA-N 1 1 538.063 5.452 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473159200 562902638 /nfs/dbraw/zinc/90/26/38/562902638.db2.gz PFUCSUKEJUJOLJ-ZPMCFJSWSA-N 1 1 538.063 5.452 1 0 KKAFMO COCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C2CCCC2)nn1 ZINC000473159714 562902739 /nfs/dbraw/zinc/90/27/39/562902739.db2.gz XNOSHWKNNVMTIA-ZTOMLWHTSA-N 1 1 605.658 5.865 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH2+]CCF)CC1)C1CC1 ZINC000473164969 562902871 /nfs/dbraw/zinc/90/28/71/562902871.db2.gz JBOMZXJIVVAEEQ-UKIBZPOASA-N 1 1 530.471 6.459 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[NH2+]CC2)CC1 ZINC000473179718 562903407 /nfs/dbraw/zinc/90/34/07/562903407.db2.gz IIULTNNXDBEYPW-XGAFWQRZSA-N 1 1 527.496 5.415 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)CC1 ZINC000473182929 562903517 /nfs/dbraw/zinc/90/35/17/562903517.db2.gz AUULXWXMBHAERU-NYVOZVTQSA-N 1 1 526.052 5.452 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000473182929 562903518 /nfs/dbraw/zinc/90/35/18/562903518.db2.gz AUULXWXMBHAERU-NYVOZVTQSA-N 1 1 526.052 5.452 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000473183375 562903608 /nfs/dbraw/zinc/90/36/08/562903608.db2.gz VCRREDPIUQOOIB-XMERXJNXSA-N 1 1 555.506 5.472 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000473183375 562903609 /nfs/dbraw/zinc/90/36/09/562903609.db2.gz VCRREDPIUQOOIB-XMERXJNXSA-N 1 1 555.506 5.472 1 0 KKAFMO O=C([O-])CC[NH+]1CCC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215329 562904052 /nfs/dbraw/zinc/90/40/52/562904052.db2.gz IRUZTIPRURJEDF-YLJYDHMQSA-N 1 1 532.773 6.607 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4cccc(I)c4)n3)ccc21 ZINC000474605835 562905300 /nfs/dbraw/zinc/90/53/00/562905300.db2.gz GKGFLGJKGVWZGC-MHZLTWQESA-N 1 1 568.434 5.998 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4cccc(I)c4)n[nH]3)ccc21 ZINC000474605835 562905301 /nfs/dbraw/zinc/90/53/01/562905301.db2.gz GKGFLGJKGVWZGC-MHZLTWQESA-N 1 1 568.434 5.998 1 0 KKAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474607078 562905421 /nfs/dbraw/zinc/90/54/21/562905421.db2.gz IZJLHJIJZZCSAE-UHFFFAOYSA-N 1 1 598.607 5.535 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(OCc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609348 562905537 /nfs/dbraw/zinc/90/55/37/562905537.db2.gz PWAYIZWCGQNUMX-HKBQPEDESA-N 1 1 536.672 5.741 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(OCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609348 562905538 /nfs/dbraw/zinc/90/55/38/562905538.db2.gz PWAYIZWCGQNUMX-HKBQPEDESA-N 1 1 536.672 5.741 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609559 562905612 /nfs/dbraw/zinc/90/56/12/562905612.db2.gz QTDUAVIOODNWJG-WJOKGBTCSA-N 1 1 535.688 5.774 1 0 KKAFMO O=S(=O)(c1ccc(C2=C[C@H]3N=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@H]3S2)cc1)N1CCOCC1 ZINC000474609777 562905688 /nfs/dbraw/zinc/90/56/88/562905688.db2.gz UXEZNMPSFXNTRD-NAKRPHOHSA-N 1 1 595.146 5.317 1 0 KKAFMO O=S(=O)(c1ccc(C2=C[C@H]3N=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609775 562905716 /nfs/dbraw/zinc/90/57/16/562905716.db2.gz UXEZNMPSFXNTRD-LEAFIULHSA-N 1 1 595.146 5.317 1 0 KKAFMO COc1ccc(CCNc2ccc3c(c2)CC[N@H+](CC(=O)NCc2ccccc2)[C@@H]3Cc2ccc(OC)c(OC)c2)cc1OC ZINC000474609927 562905741 /nfs/dbraw/zinc/90/57/41/562905741.db2.gz XJJBZALXBSSBSQ-JGCGQSQUSA-N 1 1 609.767 5.834 1 0 KKAFMO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653718394 562908646 /nfs/dbraw/zinc/90/86/46/562908646.db2.gz ZIXIRTNXAQSCKV-UHFFFAOYSA-N 1 1 623.732 8.393 1 0 KKAFMO Cn1c2ccccc2[nH+]c1Nc1ccc(C(=O)NCC2(c3nc(-c4ccccc4)cs3)CCOCC2)cc1 ZINC000653738958 562909945 /nfs/dbraw/zinc/90/99/45/562909945.db2.gz BOFKDIYVBUFIII-UHFFFAOYSA-N 1 1 523.662 5.919 1 0 KKAFMO CC[N@@H+](CCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653746557 562910408 /nfs/dbraw/zinc/91/04/08/562910408.db2.gz AOWUGOYNWGJDDH-OUKQBFOZSA-N 1 1 532.681 5.680 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5ccc(C[NH+]6CCOCC6)cc5)cc43)cc2Cl)c1 ZINC000653749388 562910606 /nfs/dbraw/zinc/91/06/06/562910606.db2.gz NDDKTJQUMWQODC-UHFFFAOYSA-N 1 1 561.082 6.728 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)cc2)CC1 ZINC000653779725 562912083 /nfs/dbraw/zinc/91/20/83/562912083.db2.gz TZQYSULKNMJKSP-UHFFFAOYSA-N 1 1 533.995 5.198 1 0 KKAFMO Cc1nc(-c2ccc(-c3nnc(SCCC[N@@H+]4CCO[C@H](c5ccc(C(F)(F)F)cc5)C4)n3C)cc2)no1 ZINC000653795043 562912991 /nfs/dbraw/zinc/91/29/91/562912991.db2.gz CRCNNTYVVVULMG-QFIPXVFZSA-N 1 1 544.603 5.415 1 0 KKAFMO Cc1nc(-c2ccc(-c3nnc(SCCC[N@H+]4CCO[C@H](c5ccc(C(F)(F)F)cc5)C4)n3C)cc2)no1 ZINC000653795043 562912992 /nfs/dbraw/zinc/91/29/92/562912992.db2.gz CRCNNTYVVVULMG-QFIPXVFZSA-N 1 1 544.603 5.415 1 0 KKAFMO CC(=O)c1ccc(-c2nnc(SCCC[N@@H+]3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)n2C)cc1 ZINC000653798121 562913223 /nfs/dbraw/zinc/91/32/23/562913223.db2.gz YSOFLAUQLXWHBW-QFIPXVFZSA-N 1 1 504.578 5.259 1 0 KKAFMO CC(=O)c1ccc(-c2nnc(SCCC[N@H+]3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)n2C)cc1 ZINC000653798121 562913224 /nfs/dbraw/zinc/91/32/24/562913224.db2.gz YSOFLAUQLXWHBW-QFIPXVFZSA-N 1 1 504.578 5.259 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000653810875 562913832 /nfs/dbraw/zinc/91/38/32/562913832.db2.gz JRGVLAVWVKFVTO-UHFFFAOYSA-N 1 1 571.722 5.182 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N(C)C(=O)CN(C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822620 562914145 /nfs/dbraw/zinc/91/41/45/562914145.db2.gz FARNSAZMRIPYES-AWEZNQCLSA-N 1 1 538.439 5.472 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)C[NH+](C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822620 562914146 /nfs/dbraw/zinc/91/41/46/562914146.db2.gz FARNSAZMRIPYES-AWEZNQCLSA-N 1 1 538.439 5.472 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823878 562914341 /nfs/dbraw/zinc/91/43/41/562914341.db2.gz XCUHFBQSGFOCNR-LJQANCHMSA-N 1 1 590.559 7.403 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCC[NH+]5CCOCC5)cc43)cc2Cl)c1 ZINC000653882131 562916760 /nfs/dbraw/zinc/91/67/60/562916760.db2.gz IYWCOZMVACEZGO-UHFFFAOYSA-N 1 1 581.117 5.754 1 0 KKAFMO O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 562917615 /nfs/dbraw/zinc/91/76/15/562917615.db2.gz NUDZQLPWWBEGFM-BKJQLSFMSA-N 1 1 505.625 5.380 1 0 KKAFMO O=C(CCCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1nc2ccccc2s1 ZINC000653909252 562917675 /nfs/dbraw/zinc/91/76/75/562917675.db2.gz MWVBXJPHOJRHOA-UHFFFAOYSA-N 1 1 505.634 6.335 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653914378 562917817 /nfs/dbraw/zinc/91/78/17/562917817.db2.gz NKAJUTFUNHKPHB-UHFFFAOYSA-N 1 1 573.471 5.757 1 0 KKAFMO COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000095914236 565185522 /nfs/dbraw/zinc/18/55/22/565185522.db2.gz UJDHNXMYMWDWQG-VMPREFPWSA-N 1 1 682.814 6.760 1 0 biogenic,in-vitro KKAFMO COc1cc(CN(CCC[NH+]2CCOCC2)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1 ZINC000000743645 561675499 /nfs/dbraw/zinc/67/54/99/561675499.db2.gz GGMCYBMQBOYFFN-UHFFFAOYSA-N 1 1 503.643 5.339 1 0 KKAFMO COc1cc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1 ZINC000003915041 561684699 /nfs/dbraw/zinc/68/46/99/561684699.db2.gz UNBNMDOOATZHTA-UHFFFAOYSA-N 1 1 564.748 6.095 1 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@@H]1CCc2c(cccc2OS(C)(=O)=O)C1 ZINC000003928090 561686855 /nfs/dbraw/zinc/68/68/55/561686855.db2.gz HYHZGIWTSKSXKP-MUUNZHRXSA-N 1 1 534.722 5.472 1 0 KKAFMO CCN(CC)C(=O)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CC[NH+](C)C ZINC000003934040 561688164 /nfs/dbraw/zinc/68/81/64/561688164.db2.gz AUEUBSJNKBZSKK-UHFFFAOYSA-N 1 1 604.861 5.914 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941151 561689281 /nfs/dbraw/zinc/68/92/81/561689281.db2.gz CBRDBWCBSRTAIS-ZPGRZCPFSA-N 1 1 611.871 7.150 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccccc1Br)c2NC(C)(C)CC(C)(C)C ZINC000004156398 561693970 /nfs/dbraw/zinc/69/39/70/561693970.db2.gz SHFHGRBPRGSPKD-UHFFFAOYSA-N 1 1 534.498 7.918 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3NC2=O)c1 ZINC000004214307 561694227 /nfs/dbraw/zinc/69/42/27/561694227.db2.gz ADSYLNKJDYRVDB-MUUNZHRXSA-N 1 1 536.650 5.379 1 0 in-man KKAFMO COc1ccc(C(=O)N2CCC3(CCC[N@H+](Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000004238012 561694576 /nfs/dbraw/zinc/69/45/76/561694576.db2.gz MCYUJRWGZNQPRI-UHFFFAOYSA-N 1 1 514.510 6.251 1 0 KKAFMO COc1ccc(C(=O)N2CCC3(CCC[N@@H+](Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)CC2)cc1 ZINC000004238012 561694577 /nfs/dbraw/zinc/69/45/77/561694577.db2.gz MCYUJRWGZNQPRI-UHFFFAOYSA-N 1 1 514.510 6.251 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585194 561705870 /nfs/dbraw/zinc/70/58/70/561705870.db2.gz OIYZVIZIRLVDIJ-QHHIVDTJSA-N 1 1 573.699 8.561 1 0 aggregator KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479579 561715040 /nfs/dbraw/zinc/71/50/40/561715040.db2.gz OMBXIIQERBKCSZ-FAOMPSFFSA-N 1 1 506.706 6.219 1 0 KKAFMO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)C[N@@H+](C)Cc3ccccc3)c2=O)c1 ZINC000013553291 561718328 /nfs/dbraw/zinc/71/83/28/561718328.db2.gz XDMMCTICBNVRHD-HXUWFJFHSA-N 1 1 519.592 5.014 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661194 561723542 /nfs/dbraw/zinc/72/35/42/561723542.db2.gz XSULJBUFDAGKHO-YIXXDRMTSA-N 1 1 534.741 6.863 3 0 KKAFMO COc1ccc([C@@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013661267 561723623 /nfs/dbraw/zinc/72/36/23/561723623.db2.gz BVLUFAKPRYIHIB-ATIYNZHBSA-N 1 1 527.661 6.740 3 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013780467 561729181 /nfs/dbraw/zinc/72/91/81/561729181.db2.gz VRPOLMJTYHGPAL-SSHYCOHZSA-N 1 1 506.602 5.365 1 0 KKAFMO COc1cc(OC)c([C@@H](CC[NH+]2CCOCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013813927 561732010 /nfs/dbraw/zinc/73/20/10/561732010.db2.gz VGVZYDZLIPELFD-VWLOTQADSA-N 1 1 528.649 5.397 3 0 KKAFMO O=C([O-])c1ccccc1CCCC1(O)CC[NH+](C[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013819406 561732495 /nfs/dbraw/zinc/73/24/95/561732495.db2.gz RPFXOBKYZGYLDY-IGYGKHONSA-N 1 1 518.742 5.830 1 0 KKAFMO O=C([O-])c1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000013819410 561732526 /nfs/dbraw/zinc/73/25/26/561732526.db2.gz JGWJYEWLWJJIHL-IOWSJCHKSA-N 1 1 518.742 5.830 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3c2)cs1 ZINC000014945043 561742642 /nfs/dbraw/zinc/74/26/42/561742642.db2.gz ZJAASMJOPRABKY-UHFFFAOYSA-N 1 1 569.716 5.029 1 0 KKAFMO Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(-c3ccccc3C[N@H+](C)C(C)C)cc1)c2=O ZINC000014951269 561746014 /nfs/dbraw/zinc/74/60/14/561746014.db2.gz KLMPGRJKGKGQNY-UHFFFAOYSA-N 1 1 533.636 5.419 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4cc(OCC[NH+]5CCCC5)cc(C(F)(F)F)c4)nc3c2)ccn1 ZINC000014965250 561749421 /nfs/dbraw/zinc/74/94/21/561749421.db2.gz NVUDZLHYERBWHX-UHFFFAOYSA-N 1 1 540.546 5.347 1 0 KKAFMO COc1ccc(-n2nc(NC(=O)OC(C)(C)C)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969405 561750700 /nfs/dbraw/zinc/75/07/00/561750700.db2.gz ZGFNARQDWZHFIU-HHHXNRCGSA-N 1 1 609.727 5.664 1 0 KKAFMO CCN([C@@H]1CC[N@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1 ZINC000014978282 561752695 /nfs/dbraw/zinc/75/26/95/561752695.db2.gz KRUUPTAWGRLNOD-RUZDIDTESA-N 1 1 593.819 5.522 1 0 KKAFMO CCN([C@@H]1CC[N@@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 ZINC000014978282 561752696 /nfs/dbraw/zinc/75/26/96/561752696.db2.gz KRUUPTAWGRLNOD-RUZDIDTESA-N 1 1 593.819 5.522 1 0 KKAFMO CCN([C@@H]1CC[N@H+](C(C)(C)c2ccccc2)C1)S(=O)(=O)NCCc1nc(-c2cccs2)[nH]c1-c1ccc(OC)cc1 ZINC000014978282 561752698 /nfs/dbraw/zinc/75/26/98/561752698.db2.gz KRUUPTAWGRLNOD-RUZDIDTESA-N 1 1 593.819 5.522 1 0 KKAFMO O=C(C1=C[C@@H](c2csc3ccccc32)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017527423 561755323 /nfs/dbraw/zinc/75/53/23/561755323.db2.gz PTTHOVHGPPERMY-ZUKKLESISA-N 1 1 554.712 5.669 3 0 KKAFMO COc1cc(OC)c2c(c1[C@H](CC[NH+]1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017545673 561755886 /nfs/dbraw/zinc/75/58/86/561755886.db2.gz RHFCZKFQFOFAIG-IZLXSDGUSA-N 1 1 573.734 5.131 3 0 KKAFMO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017545667 561755903 /nfs/dbraw/zinc/75/59/03/561755903.db2.gz RHFCZKFQFOFAIG-NSOVKSMOSA-N 1 1 573.734 5.131 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017654038 561757258 /nfs/dbraw/zinc/75/72/58/561757258.db2.gz GHSWAFXMCOVQIF-SPOSYKFASA-N 1 1 541.135 7.590 1 0 KKAFMO O[C@@H](CSCc1ccccc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924713 561759566 /nfs/dbraw/zinc/75/95/66/561759566.db2.gz SVRLSZPXGSBDMH-GDLZYMKVSA-N 1 1 510.694 5.789 1 0 KKAFMO O=C1CC[C@](CCN2CC([NH+]3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927757 561759942 /nfs/dbraw/zinc/75/99/42/561759942.db2.gz HUERSZSCUMQRFY-HHHXNRCGSA-N 1 1 518.554 5.177 1 0 KKAFMO O[C@H](COc1ccnc2cc(C(F)(F)F)ccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934076 561760565 /nfs/dbraw/zinc/76/05/65/561760565.db2.gz AZZZOUXQECPSMI-VWLOTQADSA-N 1 1 521.583 5.401 1 0 KKAFMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)C[C@@H]1C ZINC000022941894 561761286 /nfs/dbraw/zinc/76/12/86/561761286.db2.gz SWRITPDTBCAFCK-OALUTQOASA-N 1 1 523.043 5.703 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4cccc5ccccc54)nc3n2)CC1 ZINC000023357781 561761523 /nfs/dbraw/zinc/76/15/23/561761523.db2.gz ODSISTOLPDZKMR-UHFFFAOYSA-N 1 1 615.569 6.845 1 0 KKAFMO COc1cccc(NC(=O)Nc2nc3nc(NCCC[NH+]4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 ZINC000023357778 561761671 /nfs/dbraw/zinc/76/16/71/561761671.db2.gz MEYPNOVFXMUEAG-UHFFFAOYSA-N 1 1 595.535 5.701 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)CC(C)(C)C)nc3n2)CC1 ZINC000023357784 561761762 /nfs/dbraw/zinc/76/17/62/561761762.db2.gz WRGKWGOMGXCNPV-UHFFFAOYSA-N 1 1 544.531 5.423 1 0 KKAFMO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CC[NH+](C)CC2)c1Cl ZINC000023359235 561762154 /nfs/dbraw/zinc/76/21/54/561762154.db2.gz DBENURRVXMYTJS-UHFFFAOYSA-N 1 1 568.914 5.364 1 0 KKAFMO C[NH+]1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1 ZINC000023359229 561762197 /nfs/dbraw/zinc/76/21/97/561762197.db2.gz FSCCPJPJIPZLON-UHFFFAOYSA-N 1 1 538.888 5.355 1 0 KKAFMO Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(C[N@@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000025964546 561763015 /nfs/dbraw/zinc/76/30/15/561763015.db2.gz IUCVMFQGKCHLPG-OVXDMHHOSA-N 1 1 586.754 6.609 1 0 KKAFMO CC[N@@H+](CCOc1ccc(C=C2SC(=O)NC2=O)cc1)C[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966394 561763182 /nfs/dbraw/zinc/76/31/82/561763182.db2.gz IDCRXMOPFLSPGO-FCFRYEAASA-N 1 1 510.656 5.126 1 0 KKAFMO CN(CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1)CC[N@@H+](C)CCNC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)n1 ZINC000026165130 561768900 /nfs/dbraw/zinc/76/89/00/561768900.db2.gz ACDQZGAIOXDAGN-UHFFFAOYSA-N 1 1 688.788 5.229 1 0 KKAFMO O=C(Nc1nccs1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026190185 561773416 /nfs/dbraw/zinc/77/34/16/561773416.db2.gz XMMKDAKHJMUBOB-ISILISOKSA-N 1 1 505.687 7.067 1 0 KKAFMO COc1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1 ZINC000026249844 561773883 /nfs/dbraw/zinc/77/38/83/561773883.db2.gz ZTNMIGOUCRNDHM-CONSDPRKSA-N 1 1 587.761 5.403 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CCC[C@@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026294953 561781313 /nfs/dbraw/zinc/78/13/13/561781313.db2.gz BCMOURGLNMDTBL-LOSJGSFVSA-N 1 1 565.545 6.610 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccc2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026268681 561776627 /nfs/dbraw/zinc/77/66/27/561776627.db2.gz CLDRZEYGDIJNNB-UHFFFAOYSA-N 1 1 630.720 6.738 1 0 KKAFMO COc1ccc([C@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268196 561776647 /nfs/dbraw/zinc/77/66/47/561776647.db2.gz QFOQKQPDVPKVEX-HKBQPEDESA-N 1 1 527.771 7.447 1 0 KKAFMO COc1ccc([C@@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274488 561777884 /nfs/dbraw/zinc/77/78/84/561777884.db2.gz ADNUKJKNFPTGRR-MGBGTMOVSA-N 1 1 549.777 7.872 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2cc(Cl)cc(Cl)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275240 561778017 /nfs/dbraw/zinc/77/80/17/561778017.db2.gz OCFJQPYCFPXBDP-UHFFFAOYSA-N 1 1 656.589 7.711 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2cc(Cl)cc(Cl)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275240 561778019 /nfs/dbraw/zinc/77/80/19/561778019.db2.gz OCFJQPYCFPXBDP-UHFFFAOYSA-N 1 1 656.589 7.711 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCc2ccccc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488511 561792887 /nfs/dbraw/zinc/79/28/87/561792887.db2.gz SJNKYSKKDFWLPR-UMSFTDKQSA-N 1 1 589.869 7.143 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCCCC5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026579049 561804059 /nfs/dbraw/zinc/80/40/59/561804059.db2.gz LRVRRZDHZKULMB-SFQUDFHCSA-N 1 1 674.629 6.571 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)[nH+]c34)c2Cl)cc1OC ZINC000026579219 561804393 /nfs/dbraw/zinc/80/43/93/561804393.db2.gz SLUXPJXWDSEGFV-RVDMUPIBSA-N 1 1 664.590 5.656 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000026579647 561805141 /nfs/dbraw/zinc/80/51/41/561805141.db2.gz IHYWZYMUBPXPFD-XNTDXEJSSA-N 1 1 697.623 6.935 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCCCCC5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026579761 561805235 /nfs/dbraw/zinc/80/52/35/561805235.db2.gz ALWWZZYTQLZEAK-QGOAFFKASA-N 1 1 688.656 6.961 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)Nc5ccncc5)c4)c3Cl)c2[nH+]1 ZINC000026636841 561805869 /nfs/dbraw/zinc/80/58/69/561805869.db2.gz FQGLYGAWSQXXHR-UHFFFAOYSA-N 1 1 686.600 6.927 1 0 KKAFMO CN(C[C@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026642282 561806806 /nfs/dbraw/zinc/80/68/06/561806806.db2.gz AMUYEBYBXUGDJP-QFIPXVFZSA-N 1 1 607.625 5.609 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)C1 ZINC000026657047 561809517 /nfs/dbraw/zinc/80/95/17/561809517.db2.gz HZUQKHSZVBGHLH-IZZNHLLZSA-N 1 1 510.465 5.275 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026728229 561816290 /nfs/dbraw/zinc/81/62/90/561816290.db2.gz BNKGLONSJXLHNY-RVLOQZQWSA-N 1 1 520.629 5.152 1 0 KKAFMO O=C([O-])Cc1ccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026750731 561819658 /nfs/dbraw/zinc/81/96/58/561819658.db2.gz IMCPBPJBIKCDDJ-AJQTZOPKSA-N 1 1 532.769 5.759 1 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838385 561825037 /nfs/dbraw/zinc/82/50/37/561825037.db2.gz DDSLRSIEDFCEEP-CMYVPTINSA-N 1 1 562.113 7.663 1 0 KKAFMO C[N@@H+](CCCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026839135 561825148 /nfs/dbraw/zinc/82/51/48/561825148.db2.gz HRSZLILMOUCKMN-SSEXGKCCSA-N 1 1 570.796 6.471 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000026848216 561826928 /nfs/dbraw/zinc/82/69/28/561826928.db2.gz IORNNFZUEYOWBO-PMERELPUSA-N 1 1 646.676 5.933 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026960642 561829677 /nfs/dbraw/zinc/82/96/77/561829677.db2.gz IKTCQXBLEMUSIF-RDPSFJRHSA-N 1 1 545.558 5.408 1 0 KKAFMO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026969470 561830334 /nfs/dbraw/zinc/83/03/34/561830334.db2.gz DTZAAXDHXCAIEY-HOGKFDNTSA-N 1 1 535.588 5.883 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998188 561833774 /nfs/dbraw/zinc/83/37/74/561833774.db2.gz QDLKZCSBLHDQJF-OHAFWCNASA-N 1 1 703.994 6.716 1 0 KKAFMO Cc1cc(OCCC[NH+]2CCOCC2)cc(C)c1N1C(=O)NCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000027109843 561841231 /nfs/dbraw/zinc/84/12/31/561841231.db2.gz JZLHBLIQIASMQM-UHFFFAOYSA-N 1 1 603.116 5.359 1 0 KKAFMO CC[C@@H](C[C@H](CC[NH+]1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027110089 561841342 /nfs/dbraw/zinc/84/13/42/561841342.db2.gz LOLWRZCPZJOLKK-CDZUIXILSA-N 1 1 576.803 6.926 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4cc[nH+]c(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027186736 561842645 /nfs/dbraw/zinc/84/26/45/561842645.db2.gz OOIJQVADMZQMAU-PMERELPUSA-N 1 1 621.826 7.451 1 0 KKAFMO CN(C)c1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189710 561843294 /nfs/dbraw/zinc/84/32/94/561843294.db2.gz LFBIGQYVSBGFCA-UHFFFAOYSA-N 1 1 622.741 6.905 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nc(N5CCOCC5)cc[nH+]4)c3)o1)C(C)(C)CCC2(C)C ZINC000027193387 561843856 /nfs/dbraw/zinc/84/38/56/561843856.db2.gz UXLPSQVGLDDXQU-UHFFFAOYSA-N 1 1 607.799 6.697 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCCCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209068 561846671 /nfs/dbraw/zinc/84/66/71/561846671.db2.gz PGEFKDAJUTWFED-HDYHEZILSA-N 1 1 633.790 5.620 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(C)cc4)CC3)c2)C1C(=O)OC ZINC000027216733 561848496 /nfs/dbraw/zinc/84/84/96/561848496.db2.gz SMJLNIGKMMYLNJ-SKDBZILTSA-N 1 1 589.737 5.140 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027329834 561854556 /nfs/dbraw/zinc/85/45/56/561854556.db2.gz GKAJTCCMZCXKFH-UHFFFAOYSA-N 1 1 650.795 7.671 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027329834 561854557 /nfs/dbraw/zinc/85/45/57/561854557.db2.gz GKAJTCCMZCXKFH-UHFFFAOYSA-N 1 1 650.795 7.671 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)NCCCc2ccccc2)cn3Cc2ccccc2F)cc1 ZINC000027331187 561855043 /nfs/dbraw/zinc/85/50/43/561855043.db2.gz VCLRZYGHUPYVKQ-UHFFFAOYSA-N 1 1 712.870 7.126 1 0 KKAFMO COc1ccccc1N(C(=O)C1CCCCC1)C1CC[NH+](CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 ZINC000027439305 561860619 /nfs/dbraw/zinc/86/06/19/561860619.db2.gz VVSXSXJRMCKCGE-UHFFFAOYSA-N 1 1 546.756 6.081 1 0 KKAFMO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517539 561861272 /nfs/dbraw/zinc/86/12/72/561861272.db2.gz SIRMQLLMKUZYMJ-KYJUHHDHSA-N 1 1 609.699 7.382 1 0 KKAFMO O=C(Nc1ccc(CCCn2cnc(CO)c2CO)cc1)c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000027524418 561865687 /nfs/dbraw/zinc/86/56/87/561865687.db2.gz AJICPYHFVOMZCX-UHFFFAOYSA-N 1 1 507.594 5.045 1 0 KKAFMO CNC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1F ZINC000027526256 561866118 /nfs/dbraw/zinc/86/61/18/561866118.db2.gz DCGSNFHTNRDXFG-GDLZYMKVSA-N 1 1 566.693 5.137 1 0 KKAFMO CCO[C@]12Cc3c4ccccc4[nH]c3[C@]3(CC)Oc4c5c(ccc4O)C[C@H]1[N@H+](CCc1ccccc1)CC[C@]532 ZINC000027619145 561872300 /nfs/dbraw/zinc/87/23/00/561872300.db2.gz AYRNZORVOFXDDC-XZLGBSMGSA-N 1 1 520.673 6.014 1 0 KKAFMO CC(=O)NC1(c2ccccc2)CC[NH+](C2CN(CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027621302 561872548 /nfs/dbraw/zinc/87/25/48/561872548.db2.gz ASSBEMCEDOONKS-YTTGMZPUSA-N 1 1 597.631 5.465 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)nc3)cc1)CC2 ZINC000027655226 561877257 /nfs/dbraw/zinc/87/72/57/561877257.db2.gz HKFOOHUJNPTUOS-UHFFFAOYSA-N 1 1 550.659 5.513 1 0 KKAFMO CCCCC(=O)O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027717373 561880276 /nfs/dbraw/zinc/88/02/76/561880276.db2.gz FZIFGWKACQKIGP-WJOKGBTCSA-N 1 1 534.622 7.661 1 0 KKAFMO CCCCC(=O)O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000027717373 561880278 /nfs/dbraw/zinc/88/02/78/561880278.db2.gz FZIFGWKACQKIGP-WJOKGBTCSA-N 1 1 534.622 7.661 1 0 KKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027729916 561881130 /nfs/dbraw/zinc/88/11/30/561881130.db2.gz NJVYRAPZXYUKGN-MHZLTWQESA-N 1 1 534.956 7.453 1 0 KKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000027729916 561881131 /nfs/dbraw/zinc/88/11/31/561881131.db2.gz NJVYRAPZXYUKGN-MHZLTWQESA-N 1 1 534.956 7.453 1 0 KKAFMO OCCC[N@H+](CCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 561885405 /nfs/dbraw/zinc/88/54/05/561885405.db2.gz NNVBKPALZBJMDB-UHFFFAOYSA-N 1 1 598.835 7.171 1 0 KKAFMO OCCC[N@@H+](CCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 561885407 /nfs/dbraw/zinc/88/54/07/561885407.db2.gz NNVBKPALZBJMDB-UHFFFAOYSA-N 1 1 598.835 7.171 1 0 KKAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2OCc2ccccc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027855286 561886478 /nfs/dbraw/zinc/88/64/78/561886478.db2.gz FVLWZORNFHTJCP-ROJLCIKYSA-N 1 1 609.170 5.010 1 0 KKAFMO CC[C@@H]1CCC[N@@H+]1CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000027870822 561888205 /nfs/dbraw/zinc/88/82/05/561888205.db2.gz RKUWDWCBTBJTQI-OAQYLSRUSA-N 1 1 561.004 7.357 1 0 KKAFMO CC[C@@H]1CCC[N@H+]1CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000027870822 561888206 /nfs/dbraw/zinc/88/82/06/561888206.db2.gz RKUWDWCBTBJTQI-OAQYLSRUSA-N 1 1 561.004 7.357 1 0 KKAFMO O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)OCc1ccccc1 ZINC000027990518 561892989 /nfs/dbraw/zinc/89/29/89/561892989.db2.gz WVLGQFVQGIIROT-MSEJLTFDSA-N 1 1 620.794 6.450 1 0 KKAFMO CC[N@@H+](CCCCOc1ccc(OC)cc1[C@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007378 561895756 /nfs/dbraw/zinc/89/57/56/561895756.db2.gz UGNMCZFQVXPEMK-MGBGTMOVSA-N 1 1 594.774 6.602 1 0 KKAFMO CC[N@@H+](CCCCOc1ccc(OC)cc1[C@@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007374 561895788 /nfs/dbraw/zinc/89/57/88/561895788.db2.gz UGNMCZFQVXPEMK-XIFFEERXSA-N 1 1 594.774 6.602 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C(=O)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028008919 561896101 /nfs/dbraw/zinc/89/61/01/561896101.db2.gz DVADDWCVKWRTAC-QTKNLHBISA-N 1 1 554.735 5.569 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C(=O)c3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028008919 561896103 /nfs/dbraw/zinc/89/61/03/561896103.db2.gz DVADDWCVKWRTAC-QTKNLHBISA-N 1 1 554.735 5.569 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011947 561896487 /nfs/dbraw/zinc/89/64/87/561896487.db2.gz VRSATUGIONHPSW-PMERELPUSA-N 1 1 536.694 5.813 1 0 KKAFMO CCn1nc(CC2CCCCC2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013621 561896840 /nfs/dbraw/zinc/89/68/40/561896840.db2.gz RODLAWWELODJBV-HYRLGQOJSA-N 1 1 552.779 6.169 1 0 KKAFMO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014160 561896993 /nfs/dbraw/zinc/89/69/93/561896993.db2.gz QIEIGBFFSMMDGS-HMQVCXRFSA-N 1 1 654.793 7.580 1 0 KKAFMO CCn1nc(Cc2ccc(F)cc2F)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015684 561897323 /nfs/dbraw/zinc/89/73/23/561897323.db2.gz HLXHQRLDYFRWRZ-OBAPADDSSA-N 1 1 622.776 6.840 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021356 561898496 /nfs/dbraw/zinc/89/84/96/561898496.db2.gz OYTNIRQQOVWLED-NGZLLANBSA-N 1 1 618.838 6.814 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022577 561898788 /nfs/dbraw/zinc/89/87/88/561898788.db2.gz BCCBFGWJXWGRSI-UUWRZZSWSA-N 1 1 606.785 6.745 1 0 KKAFMO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1 ZINC000028108070 561902658 /nfs/dbraw/zinc/90/26/58/561902658.db2.gz QJPSGDXCCOBLIC-AHKZPQOWSA-N 1 1 530.632 5.177 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccccc1 ZINC000028092261 561900122 /nfs/dbraw/zinc/90/01/22/561900122.db2.gz UKXFQNNXQPKCRG-AZGAKELHSA-N 1 1 516.605 5.248 1 0 KKAFMO O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028093130 561900394 /nfs/dbraw/zinc/90/03/94/561900394.db2.gz MVWIZZHMSROILD-MGBGTMOVSA-N 1 1 636.881 5.832 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028095094 561900635 /nfs/dbraw/zinc/90/06/35/561900635.db2.gz MLKJWAJODRUMOO-CRJIABDTSA-N 1 1 700.921 6.860 1 0 KKAFMO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028099268 561901270 /nfs/dbraw/zinc/90/12/70/561901270.db2.gz DKLYXIOKIUWOPO-XKYGAVHWSA-N 1 1 632.865 7.206 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028101908 561901639 /nfs/dbraw/zinc/90/16/39/561901639.db2.gz KXTISGVXSYBLGP-KLTPPHAJSA-N 1 1 626.764 6.629 1 0 KKAFMO COc1ccc(C[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028110505 561903048 /nfs/dbraw/zinc/90/30/48/561903048.db2.gz VRWKAZUOAQGJMT-UHFFFAOYSA-N 1 1 536.694 5.814 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028110505 561903050 /nfs/dbraw/zinc/90/30/50/561903050.db2.gz VRWKAZUOAQGJMT-UHFFFAOYSA-N 1 1 536.694 5.814 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028118695 561904263 /nfs/dbraw/zinc/90/42/63/561904263.db2.gz HBMQRAUFUVCBQD-HTGHOQDLSA-N 1 1 575.775 5.388 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)s1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028123526 561904600 /nfs/dbraw/zinc/90/46/00/561904600.db2.gz HCNXPYMDAMAEAE-RPBOFIJWSA-N 1 1 590.756 6.675 1 0 KKAFMO CCO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028131138 561905625 /nfs/dbraw/zinc/90/56/25/561905625.db2.gz BCTREWRHSJQVCU-SKCUWOTOSA-N 1 1 526.508 6.116 1 0 KKAFMO CC(=O)NC[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135801 561906581 /nfs/dbraw/zinc/90/65/81/561906581.db2.gz YXKQDJSENLLDCP-RCZVLFRGSA-N 1 1 553.534 5.463 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000028217951 561907023 /nfs/dbraw/zinc/90/70/23/561907023.db2.gz NLKHDWGHJGIYPF-UHFFFAOYSA-N 1 1 702.719 6.755 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(F)cc1 ZINC000028138106 561907052 /nfs/dbraw/zinc/90/70/52/561907052.db2.gz MHVZXSDEYRUEFS-UHFFFAOYSA-N 1 1 526.814 8.417 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028245484 561910742 /nfs/dbraw/zinc/91/07/42/561910742.db2.gz QXPNCZJTKXSGQY-UHFFFAOYSA-N 1 1 665.766 6.981 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCCc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028235872 561909641 /nfs/dbraw/zinc/90/96/41/561909641.db2.gz WPQUSTXDJJWMBZ-LXLYTFERSA-N 1 1 524.696 6.359 1 0 KKAFMO CO[P@@](=O)(CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236796 561909785 /nfs/dbraw/zinc/90/97/85/561909785.db2.gz RPBLAMOSILDGGB-UUABLTJASA-N 1 1 556.659 5.447 1 0 KKAFMO COc1cc2c(cc1OCCCCCOc1ccc(-c3nc4ccc(N5CC[NH+](C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028386488 561921247 /nfs/dbraw/zinc/92/12/47/561921247.db2.gz XDNDFQOESJDNTO-MHZLTWQESA-N 1 1 622.770 5.939 1 0 KKAFMO C[NH+]1CCN(CC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3O)cc2)CC1 ZINC000028387058 561921443 /nfs/dbraw/zinc/92/14/43/561921443.db2.gz NNRKUMJYZKKVBP-UHFFFAOYSA-N 1 1 603.066 5.910 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456253 561923820 /nfs/dbraw/zinc/92/38/20/561923820.db2.gz QOVORVCMPAUEEK-PSXMRANNSA-N 1 1 738.683 6.348 1 0 KKAFMO CCc1c(C)nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2c1Cl ZINC000028456258 561923833 /nfs/dbraw/zinc/92/38/33/561923833.db2.gz ITVJGPQRNBWHLA-KXQOOQHDSA-N 1 1 737.301 6.505 1 0 KKAFMO COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)CC3)nc(N)c2cc1OC ZINC000028459973 561924900 /nfs/dbraw/zinc/92/49/00/561924900.db2.gz HVDJUZDRHXDQDL-UHFFFAOYSA-N 1 1 555.745 5.110 1 0 KKAFMO O=C1N(CC[N@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccc(Cl)cc2)CCN1c1ccncc1 ZINC000028476013 561928186 /nfs/dbraw/zinc/92/81/86/561928186.db2.gz BPOYHJWKBMNMQM-UHFFFAOYSA-N 1 1 561.513 6.879 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(C(F)(F)F)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028521109 561929239 /nfs/dbraw/zinc/92/92/39/561929239.db2.gz IXLAACMWTDRWNI-HUROMRQRSA-N 1 1 572.647 6.031 1 0 KKAFMO CC[N@@H+]1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522351 561929573 /nfs/dbraw/zinc/92/95/73/561929573.db2.gz QKCBSVCHRGFMBU-PSWAGMNNSA-N 1 1 534.704 6.341 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000028604162 561940539 /nfs/dbraw/zinc/94/05/39/561940539.db2.gz INTBGFGWYLBGEH-XVNBXDOJSA-N 1 1 530.283 5.669 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000028604162 561940542 /nfs/dbraw/zinc/94/05/42/561940542.db2.gz INTBGFGWYLBGEH-XVNBXDOJSA-N 1 1 530.283 5.669 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCN(C)CC[N@@H+](C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028638203 561942069 /nfs/dbraw/zinc/94/20/69/561942069.db2.gz MUISGHGKIVJIPQ-WUKNDPDISA-N 1 1 616.755 5.268 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@H+](C)CCN(C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028638203 561942071 /nfs/dbraw/zinc/94/20/71/561942071.db2.gz MUISGHGKIVJIPQ-WUKNDPDISA-N 1 1 616.755 5.268 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCN(C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028638203 561942073 /nfs/dbraw/zinc/94/20/73/561942073.db2.gz MUISGHGKIVJIPQ-WUKNDPDISA-N 1 1 616.755 5.268 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646113 561944776 /nfs/dbraw/zinc/94/47/76/561944776.db2.gz HACIOHWUGCOLEL-JGCGQSQUSA-N 1 1 502.722 5.298 1 0 KKAFMO O=Cc1cc2ccc(C(=O)Nc3cccc4c5c([nH]c43)[C@@H]3Oc4c6c(ccc4O)C[C@H]4[N@H+](CC7CC7)CC[C@]63[C@@]4(O)C5)cc2cc1C=O ZINC000028709958 561950877 /nfs/dbraw/zinc/95/08/77/561950877.db2.gz FAAITYPIDMPBCP-GSMBKCQZSA-N 1 1 639.708 5.603 1 0 KKAFMO CC(=O)Nc1nc([C@@H](CC[N@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702735 561947126 /nfs/dbraw/zinc/94/71/26/561947126.db2.gz KOQXGZHDIQDDAK-VEVKCIFTSA-N 1 1 650.689 7.236 1 0 KKAFMO CCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704064 561948228 /nfs/dbraw/zinc/94/82/28/561948228.db2.gz QVUCDCFWXARAJF-DUFLRHOZSA-N 1 1 528.634 7.106 1 0 KKAFMO CC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704052 561948306 /nfs/dbraw/zinc/94/83/06/561948306.db2.gz WZPMKCZRNPIWHY-DAORKYKSSA-N 1 1 514.607 6.716 1 0 KKAFMO COC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704088 561948309 /nfs/dbraw/zinc/94/83/09/561948309.db2.gz PBLHODZBJXXWDD-DAORKYKSSA-N 1 1 530.606 5.953 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NCCc3[nH]cc[nH+]3)cc1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1 ZINC000028711962 561952550 /nfs/dbraw/zinc/95/25/50/561952550.db2.gz RFTQXWJHIKOOPC-UHFFFAOYSA-N 1 1 526.685 6.410 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NCCc3[nH]cc[nH+]3)cc1)C(=O)N(C1COc3ccccc3OC1)N=C2C1CCCCC1 ZINC000028711956 561952560 /nfs/dbraw/zinc/95/25/60/561952560.db2.gz BHYBGLFHEKORIF-UHFFFAOYSA-N 1 1 590.728 7.071 1 0 KKAFMO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000028711927 561952628 /nfs/dbraw/zinc/95/26/28/561952628.db2.gz MNVDKXPJRHTVKG-OAQYLSRUSA-N 1 1 540.029 7.357 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)n(C)n1 ZINC000028712501 561953014 /nfs/dbraw/zinc/95/30/14/561953014.db2.gz SGLJPXQOJMBPBR-UHFFFAOYSA-N 1 1 540.659 5.793 1 0 KKAFMO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000028769054 561960591 /nfs/dbraw/zinc/96/05/91/561960591.db2.gz OGKLLMOSPWTKLM-MHIGEHEBSA-N 1 1 668.835 6.077 1 0 KKAFMO c1ccc(C(c2ccccc2)N2CC[NH+](CCCOc3ccc(C4O[C@H](c5ccccc5)[C@@H](c5ccccc5)O4)cc3)CC2)cc1 ZINC000028816175 561963948 /nfs/dbraw/zinc/96/39/48/561963948.db2.gz FMGHYAOOIORXPJ-XRSDMRJBSA-N 1 1 610.798 8.391 1 0 KKAFMO CN1CC[NH+](CCCOc2ccc(C3O[C@@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000028816250 561964083 /nfs/dbraw/zinc/96/40/83/561964083.db2.gz ONCHPBKAGOWLIQ-NSOVKSMOSA-N 1 1 527.492 6.538 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816517 561964194 /nfs/dbraw/zinc/96/41/94/561964194.db2.gz SECUIVXEQRIXKP-FESMNKHTSA-N 1 1 564.123 5.316 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825212 561970524 /nfs/dbraw/zinc/97/05/24/561970524.db2.gz QOPWWVFDWSBQHN-LBNVMWSVSA-N 1 1 588.818 5.442 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(C[NH+]4CCOCC4)cc3)c3ccccc23)cc1 ZINC000028899776 561979643 /nfs/dbraw/zinc/97/96/43/561979643.db2.gz JHCPOCAZTCPCQQ-UHFFFAOYSA-N 1 1 573.741 7.775 1 0 KKAFMO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976258 561986796 /nfs/dbraw/zinc/98/67/96/561986796.db2.gz LWTMZLIZOAGEGL-LJAQVGFWSA-N 1 1 536.657 6.214 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000029046099 561992740 /nfs/dbraw/zinc/99/27/40/561992740.db2.gz GQLKTRKRMSMQCE-GKRYNVPLSA-N 1 1 560.129 6.426 1 0 KKAFMO C[C@@H]1COC[C@H](C)[N@H+]1Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046279 561992836 /nfs/dbraw/zinc/99/28/36/561992836.db2.gz ORHJMONBJOVDSX-FBDLJDKSSA-N 1 1 654.718 5.447 1 0 KKAFMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(C(=O)Nc2ccc(-c3ccc(OC[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)cn2)cc1 ZINC000029046279 561992837 /nfs/dbraw/zinc/99/28/37/561992837.db2.gz ORHJMONBJOVDSX-FBDLJDKSSA-N 1 1 654.718 5.447 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048495 561993568 /nfs/dbraw/zinc/99/35/68/561993568.db2.gz HLEVZRDVZBAOQY-DGPALRBDSA-N 1 1 559.497 7.014 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048776 561993746 /nfs/dbraw/zinc/99/37/46/561993746.db2.gz CYXZZISOTXHUNO-BVRKHOPBSA-N 1 1 555.078 6.369 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049524 561993986 /nfs/dbraw/zinc/99/39/86/561993986.db2.gz UMQRZRZFTLDGQG-VTIYRKAUSA-N 1 1 567.133 7.484 1 0 KKAFMO CCc1nc2cc3c(cc2s1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126802 561998901 /nfs/dbraw/zinc/99/89/01/561998901.db2.gz LJDQESSYTJNKOI-UHFFFAOYSA-N 1 1 528.751 6.094 1 0 KKAFMO CCc1nc2cc3c(c(C)c2o1)CC[N@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126989 561999144 /nfs/dbraw/zinc/99/91/44/561999144.db2.gz VNUWHBRXYDCOFA-HXUWFJFHSA-N 1 1 540.737 6.322 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4nc5ccc(C(F)(F)F)cn5c4CC3)n2C)n1 ZINC000029127255 561999683 /nfs/dbraw/zinc/99/96/83/561999683.db2.gz KCLMHEWINSXASY-UHFFFAOYSA-N 1 1 551.642 5.588 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)cc3oc2=O)cc1 ZINC000029131498 562003210 /nfs/dbraw/zinc/00/32/10/562003210.db2.gz ILLXXNMTJSHHII-GZTJUZNOSA-N 1 1 627.568 7.997 1 0 KKAFMO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CC(C)(C)C ZINC000029135629 562004448 /nfs/dbraw/zinc/00/44/48/562004448.db2.gz XTXHGMBUVKGTLW-UHFFFAOYSA-N 1 1 560.060 8.038 1 0 KKAFMO COc1c2ccccc2c(OC)c(C(F)(F)F)c1C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CC(C)C ZINC000029135631 562004551 /nfs/dbraw/zinc/00/45/51/562004551.db2.gz JXKZNEWAURNXKD-UHFFFAOYSA-N 1 1 546.033 7.648 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc(-c2ccccc2)c1 ZINC000029392198 562017639 /nfs/dbraw/zinc/01/76/39/562017639.db2.gz DAJVHWOALRPGOB-CYTLCNBWSA-N 1 1 655.648 5.148 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccccc1-c1ccccc1 ZINC000029392527 562017722 /nfs/dbraw/zinc/01/77/22/562017722.db2.gz BERFBIKLVBZVIF-CYTLCNBWSA-N 1 1 655.648 5.148 1 0 KKAFMO CCOC(=O)C1=C(COCC[N@@H+](C)Cc2ccccc2)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl ZINC000029405649 562020539 /nfs/dbraw/zinc/02/05/39/562020539.db2.gz ZZNMZUHUNNQAKO-HEBMYIDGSA-N 1 1 513.034 5.280 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1ccc(-c2ccccc2)cc1 ZINC000029398181 562019131 /nfs/dbraw/zinc/01/91/31/562019131.db2.gz PFQNKAXKKHNHGE-CYTLCNBWSA-N 1 1 655.648 5.148 1 0 KKAFMO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403263 562020104 /nfs/dbraw/zinc/02/01/04/562020104.db2.gz XPWFTGGQSOHDQV-NRFANRHFSA-N 1 1 623.585 6.158 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3cccc(Cl)c3)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029488501 562028974 /nfs/dbraw/zinc/02/89/74/562028974.db2.gz UWEJDSOFIHYIOE-MHZLTWQESA-N 1 1 637.029 5.662 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029550173 562030819 /nfs/dbraw/zinc/03/08/19/562030819.db2.gz JXHBQZRXZKSNND-LJAQVGFWSA-N 1 1 550.677 5.404 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551366 562031012 /nfs/dbraw/zinc/03/10/12/562031012.db2.gz CLUUKANTNNYMBZ-WJOKGBTCSA-N 1 1 580.747 5.864 1 0 KKAFMO Cc1oc2c(c1C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029564684 562034071 /nfs/dbraw/zinc/03/40/71/562034071.db2.gz CTXRFUVSISAOKT-FNJJVTQMSA-N 1 1 596.749 7.613 1 0 KKAFMO c1ccc2c(c1)nccc2Nc1ccccc1OCCCCOc1ccccc1Nc1cc[nH+]c2ccccc12 ZINC000031438797 562036221 /nfs/dbraw/zinc/03/62/21/562036221.db2.gz FCSAPGBYXSQIGQ-UHFFFAOYSA-N 1 1 526.640 8.508 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c2NC(C)(C)CC(C)(C)C ZINC000033651674 562037368 /nfs/dbraw/zinc/03/73/68/562037368.db2.gz QTIITSZIMOEQST-UHFFFAOYSA-N 1 1 524.492 8.462 1 0 KKAFMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033865154 562037715 /nfs/dbraw/zinc/03/77/15/562037715.db2.gz LXABGYAXHNLPEO-NRFANRHFSA-N 1 1 501.030 5.999 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C(F)(F)F)c4)c3c2)o1 ZINC000034800112 562040838 /nfs/dbraw/zinc/04/08/38/562040838.db2.gz NAHPEMQMXDXGBZ-UHFFFAOYSA-N 1 1 614.621 6.505 1 0 KKAFMO CCCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000034800116 562040877 /nfs/dbraw/zinc/04/08/77/562040877.db2.gz ZZOFSNIYKIWAIB-UHFFFAOYSA-N 1 1 609.123 6.919 1 0 KKAFMO COc1cc(C(=O)NN2c3ccc(Cl)cc3N=C(N3CC[NH+](C)CC3)c3cc(Cl)ccc32)cc(OC)c1OC ZINC000036089417 562046903 /nfs/dbraw/zinc/04/69/03/562046903.db2.gz JFBANURFCNELLB-UHFFFAOYSA-N 1 1 570.477 5.141 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cc(Cl)cc3Cl)c3ccccc32)CC1 ZINC000036089388 562046949 /nfs/dbraw/zinc/04/69/49/562046949.db2.gz VQHRXNVPMFOSRZ-UHFFFAOYSA-N 1 1 549.289 6.422 1 0 KKAFMO CCOc1ccc2ccccc2c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2ccccc21 ZINC000036089376 562046953 /nfs/dbraw/zinc/04/69/53/562046953.db2.gz GBAMNIHBRPISDN-UHFFFAOYSA-N 1 1 540.067 6.014 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(F)cc3C(F)(F)F)c3ccccc32)CC1 ZINC000036089504 562047065 /nfs/dbraw/zinc/04/70/65/562047065.db2.gz QTKPSGBAONTGHB-UHFFFAOYSA-N 1 1 531.941 5.620 1 0 KKAFMO FC(F)(F)c1cc(COC[C@]2(c3ccccc3)CCC[N@@H+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000035986052 562046009 /nfs/dbraw/zinc/04/60/09/562046009.db2.gz PURFDWJJUPRHOS-MHZLTWQESA-N 1 1 521.545 7.865 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(C(F)(F)F)cc3)c3ccccc32)CC1 ZINC000036188216 562050907 /nfs/dbraw/zinc/05/09/07/562050907.db2.gz FWLGZKNBTCYEHG-UHFFFAOYSA-N 1 1 513.951 5.481 1 0 KKAFMO COc1ccccc1Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1 ZINC000036241939 562052103 /nfs/dbraw/zinc/05/21/03/562052103.db2.gz WZFSTZPVDMXXKL-UHFFFAOYSA-N 1 1 522.653 6.362 1 0 KKAFMO O=C(Nc1ccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1)c1ccco1 ZINC000036241946 562052105 /nfs/dbraw/zinc/05/21/05/562052105.db2.gz USCJBUZPUNRXEU-UHFFFAOYSA-N 1 1 509.614 5.406 1 0 KKAFMO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3CN2C)CC1 ZINC000036284689 562053384 /nfs/dbraw/zinc/05/33/84/562053384.db2.gz CXNCKVKDTNIURI-CKOYEXALSA-N 1 1 634.240 5.311 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000036351482 562058374 /nfs/dbraw/zinc/05/83/74/562058374.db2.gz NEDFFGGGMNIQHU-WDYNHAJCSA-N 1 1 629.123 6.377 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc(OC)cc1 ZINC000036378319 562059646 /nfs/dbraw/zinc/05/96/46/562059646.db2.gz MJJIHQACZGUMQB-NVQXNPDNSA-N 1 1 521.698 6.805 3 0 KKAFMO COc1ccc(OC[C@@H]2Cc3c(c4c(nc3-c3ccccc3)CC[N@@H+](CCOc3ccccc3)C4)CO2)cc1 ZINC000036384598 562060108 /nfs/dbraw/zinc/06/01/08/562060108.db2.gz RFICEULJUUXYDG-NDEPHWFRSA-N 1 1 522.645 5.715 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@H]4C[C@@]4(c4ccc(C(C)(C)C)cc4)C3)n2C)n1 ZINC000036436376 562060705 /nfs/dbraw/zinc/06/07/05/562060705.db2.gz DRKUAUJUSZGTGW-XJFCNFDWSA-N 1 1 511.739 6.392 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147763 562065562 /nfs/dbraw/zinc/06/55/62/562065562.db2.gz YEFGMGCEOZCNNZ-POBAWSAGSA-N 1 1 510.722 6.230 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4cccs4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147756 562065588 /nfs/dbraw/zinc/06/55/88/562065588.db2.gz GTBXJHSFIAGKDW-PDRGBRDOSA-N 1 1 542.789 6.825 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152418 562067263 /nfs/dbraw/zinc/06/72/63/562067263.db2.gz HBMQRAUFUVCBQD-INJYMACJSA-N 1 1 575.775 5.388 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157515 562069316 /nfs/dbraw/zinc/06/93/16/562069316.db2.gz VLRKCLYSNVDLNZ-LGGPFLRQSA-N 1 1 572.768 5.052 1 0 KKAFMO CS(=O)(=O)c1cccc(-c2ccc(C(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157851 562069561 /nfs/dbraw/zinc/06/95/61/562069561.db2.gz XEGVCTLTXFUGRJ-UHFFFAOYSA-N 1 1 583.651 7.099 1 0 KKAFMO CN1CC[NH+](CCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377663 562071640 /nfs/dbraw/zinc/07/16/40/562071640.db2.gz SZOYOLFYNBXVHW-NDEPHWFRSA-N 1 1 692.429 5.548 1 0 KKAFMO Cc1cc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n[nH]1 ZINC000040402948 562074764 /nfs/dbraw/zinc/07/47/64/562074764.db2.gz JLMNPTOCKBOBJT-UHFFFAOYSA-N 1 1 528.018 7.494 1 0 KKAFMO CN(CC[NH+]1CCCC1)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1 ZINC000040764445 562079550 /nfs/dbraw/zinc/07/95/50/562079550.db2.gz JTUYSPGSVTWGLQ-UHFFFAOYSA-N 1 1 505.047 5.176 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040791357 562079860 /nfs/dbraw/zinc/07/98/60/562079860.db2.gz YTOSPVJBQKTTEV-JOCHJYFZSA-N 1 1 509.593 5.593 1 0 KKAFMO CC[N@@H+](CCNC(=O)c1ccc(F)cc1NCc1ccccc1)CCNc1ccnc2cc(Cl)ccc21 ZINC000040862890 562080943 /nfs/dbraw/zinc/08/09/43/562080943.db2.gz JWOZUTXAMBCXAP-UHFFFAOYSA-N 1 1 520.052 5.803 1 0 KKAFMO COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(Cn5cc[nH+]c5C)CC4)cc2)CC3)cc1 ZINC000040893039 562082938 /nfs/dbraw/zinc/08/29/38/562082938.db2.gz ZDHSUHHKRRWGLY-UHFFFAOYSA-N 1 1 521.543 5.339 1 0 KKAFMO CCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@@]21[C@]3(C)CC=C2C=C[C@@]34C=C[C@]21[N@@H+]1C[C@]13CC[C@@H]4CCCO ZINC000085548236 560072123 /nfs/dbraw/zinc/07/21/23/560072123.db2.gz QSDULAKDNLNARM-YUJGSFFPSA-N 1 1 569.874 8.164 1 0 biogenic,in-vitro KKAFMO CCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@@]21[C@]3(C)CC=C2C=C[C@@]34C=C[C@]21[N@H+]1C[C@]13CC[C@@H]4CCCO ZINC000085548236 560072125 /nfs/dbraw/zinc/07/21/25/560072125.db2.gz QSDULAKDNLNARM-YUJGSFFPSA-N 1 1 569.874 8.164 1 0 biogenic,in-vitro KKAFMO C[C@H]1CCC[N@H+]1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079506 562645808 /nfs/dbraw/zinc/64/58/08/562645808.db2.gz VLJYRARAGISBAK-AWEZNQCLSA-N 1 1 516.299 5.109 1 0 KKAFMO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1cnc[nH]1)c1ccccc1 ZINC000043079428 562645818 /nfs/dbraw/zinc/64/58/18/562645818.db2.gz ZMTJXLBSJWMAHF-NDEPHWFRSA-N 1 1 521.587 5.727 1 0 KKAFMO COc1cc2nccc(C[N@@H+]3CCc4c(cccc4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C3)c2cc1OC ZINC000043196698 562646773 /nfs/dbraw/zinc/64/67/73/562646773.db2.gz DIKZOMSAKDGCJP-UHFFFAOYSA-N 1 1 539.529 6.221 1 0 KKAFMO COc1cc2nccc(C[N@H+]3CCc4c(cccc4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)C3)c2cc1OC ZINC000043196698 562646774 /nfs/dbraw/zinc/64/67/74/562646774.db2.gz DIKZOMSAKDGCJP-UHFFFAOYSA-N 1 1 539.529 6.221 1 0 KKAFMO C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000044031837 562651689 /nfs/dbraw/zinc/65/16/89/562651689.db2.gz RTJZMWSCHLSZOW-QCENPCRXSA-N 1 1 591.196 6.780 1 0 KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652393 /nfs/dbraw/zinc/65/23/93/562652393.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 1 1 564.774 6.259 1 0 in-vivo KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@@H]4C(c2nccc4c5ccccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000044093984 562652394 /nfs/dbraw/zinc/65/23/94/562652394.db2.gz LTHULOBARTYAMF-MJRZSYAESA-N 1 1 564.774 6.259 1 0 in-vivo KKAFMO c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000044280505 562652883 /nfs/dbraw/zinc/65/28/83/562652883.db2.gz RYUMJRVPFLUECC-UHFFFAOYSA-N 1 1 607.766 6.909 1 0 KKAFMO c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000044280505 562652884 /nfs/dbraw/zinc/65/28/84/562652884.db2.gz RYUMJRVPFLUECC-UHFFFAOYSA-N 1 1 607.766 6.909 1 0 KKAFMO O=C(CCCc1ccccc1)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305085 562653355 /nfs/dbraw/zinc/65/33/55/562653355.db2.gz QQNVIMGZEUSMBJ-DIPNUNPCSA-N 1 1 611.777 7.808 1 0 KKAFMO COc1cc2c3c(c1[O-])Oc1cc4c(cc1O)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[NH2+]CC3 ZINC000044305474 562653451 /nfs/dbraw/zinc/65/34/51/562653451.db2.gz BRQSKXOKBNZMFR-SVBPBHIXSA-N 1 1 566.654 5.911 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000044305453 562653482 /nfs/dbraw/zinc/65/34/82/562653482.db2.gz MDUIMURQYFEUFE-SANMLTNESA-N 1 1 598.144 5.796 1 0 KKAFMO FC1(F)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)C1 ZINC000044307954 562654153 /nfs/dbraw/zinc/65/41/53/562654153.db2.gz PXLDHSKDCUXBTE-UHFFFAOYSA-N 1 1 629.719 6.764 1 0 KKAFMO FC1(F)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)C1 ZINC000044307954 562654154 /nfs/dbraw/zinc/65/41/54/562654154.db2.gz PXLDHSKDCUXBTE-UHFFFAOYSA-N 1 1 629.719 6.764 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(-c2cnc(Cc3ccccc3)n(C)c2=O)cc1F ZINC000044308069 562654219 /nfs/dbraw/zinc/65/42/19/562654219.db2.gz XFEYXKJPGONJJO-UHFFFAOYSA-N 1 1 623.729 5.543 1 0 KKAFMO CCN1CC[NH+](CCCOc2cc3nccc(Oc4ccc(-c5cnc(Cc6ccccc6)n(C)c5=O)cc4F)c3cc2OC)CC1 ZINC000044351040 562654459 /nfs/dbraw/zinc/65/44/59/562654459.db2.gz BJLCYGZYAODRFD-UHFFFAOYSA-N 1 1 637.756 5.933 1 0 KKAFMO O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OC(=O)c3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000044417008 562657018 /nfs/dbraw/zinc/65/70/18/562657018.db2.gz QILFFGRYZJLTKE-WVHDXOAOSA-N 1 1 576.693 5.019 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1 ZINC000044417922 562657202 /nfs/dbraw/zinc/65/72/02/562657202.db2.gz SQNGVTMRTJBMIQ-KCTCJIHVSA-N 1 1 541.736 6.194 1 0 KKAFMO C[NH+](C)[C@@H](CNc1cc(=O)c2ccccc2[nH]1)CN(Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000044430805 562657689 /nfs/dbraw/zinc/65/76/89/562657689.db2.gz FLGGLKJGPGVLGU-FQEVSTJZSA-N 1 1 578.371 7.186 1 0 KKAFMO C[C@@H](C[NH+]1CCN(C)CC1)C(=O)Nc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167523 562658010 /nfs/dbraw/zinc/65/80/10/562658010.db2.gz KBBTZNWIQSYFEJ-IBGZPJMESA-N 1 1 521.587 5.738 1 0 KKAFMO CC(C)(C)c1ccc(C[N@H+](C[C@@H](O)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1 ZINC000045191090 562658525 /nfs/dbraw/zinc/65/85/25/562658525.db2.gz RYVSTLSFXPTZIY-NRFANRHFSA-N 1 1 501.520 5.231 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)cc2)c1 ZINC000045191607 562658557 /nfs/dbraw/zinc/65/85/57/562658557.db2.gz DXJQOOMOBZQITE-UHFFFAOYSA-N 1 1 502.593 7.598 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(F)cc5[nH]4)c3)c2)c1 ZINC000045193116 562658709 /nfs/dbraw/zinc/65/87/09/562658709.db2.gz LTOAAJSTZFSEJH-UHFFFAOYSA-N 1 1 502.593 7.598 1 0 KKAFMO CC(C)(C)c1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccnc(N)n3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000045201871 562659105 /nfs/dbraw/zinc/65/91/05/562659105.db2.gz WWHUJHHVOYMWPH-UHFFFAOYSA-N 1 1 505.066 5.840 1 0 KKAFMO Clc1cccc(-c2nc3ccccc3c(Nc3ccnc(-c4ccc(C[NH+]5CCOCC5)cc4)c3)n2)c1 ZINC000045202391 562659186 /nfs/dbraw/zinc/65/91/86/562659186.db2.gz ZSFPWXJNKNXHJU-UHFFFAOYSA-N 1 1 508.025 6.588 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045230210 562659662 /nfs/dbraw/zinc/65/96/62/562659662.db2.gz NTJSOYUWJIZESR-QHCPKHFHSA-N 1 1 523.621 5.281 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000045317821 562660871 /nfs/dbraw/zinc/66/08/71/562660871.db2.gz GGBHRKPDSPZDTC-QHCPKHFHSA-N 1 1 523.621 5.281 1 0 KKAFMO O=C(/C=C/c1ccc(F)cc1)NC1CCC(CC[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000045323094 562661109 /nfs/dbraw/zinc/66/11/09/562661109.db2.gz JEVLVXHIUVQGIC-AWNIVKPZSA-N 1 1 518.599 5.530 1 0 KKAFMO COc1ccc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338303 562661507 /nfs/dbraw/zinc/66/15/07/562661507.db2.gz JVWHWSLDYNLZMV-SSEXGKCCSA-N 1 1 520.073 5.069 1 0 KKAFMO COc1ccc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338303 562661508 /nfs/dbraw/zinc/66/15/08/562661508.db2.gz JVWHWSLDYNLZMV-SSEXGKCCSA-N 1 1 520.073 5.069 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCN(CC2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000045367848 562662133 /nfs/dbraw/zinc/66/21/33/562662133.db2.gz DVKVDTQSWBEYCJ-UHFFFAOYSA-N 1 1 535.754 5.632 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC000045369425 562662189 /nfs/dbraw/zinc/66/21/89/562662189.db2.gz LOLCALFUQXGZTP-UHFFFAOYSA-N 1 1 505.728 5.623 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)CC1CC1 ZINC000045372100 562662224 /nfs/dbraw/zinc/66/22/24/562662224.db2.gz KTNLSECYGZNUNR-UHFFFAOYSA-N 1 1 531.644 5.472 1 0 KKAFMO O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc(NCCC[NH+]4CCOCC4)c(F)c3)n2)c1)c1c(F)cccc1F ZINC000048307299 562662895 /nfs/dbraw/zinc/66/28/95/562662895.db2.gz BQUVZPUMLSHXNL-UHFFFAOYSA-N 1 1 678.719 7.006 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307343 562663036 /nfs/dbraw/zinc/66/30/36/562663036.db2.gz BTGARQGHTCRAIZ-JUVVUYAKSA-N 1 1 581.544 6.981 1 0 KKAFMO CN1c2ccc(OC(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@]2(C)CC[N@H+](CCc3ccccc3)[C@H]12 ZINC000049034256 562663451 /nfs/dbraw/zinc/66/34/51/562663451.db2.gz FPOQWEVPCLQMKQ-WEZIJMHWSA-N 1 1 503.646 6.947 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@@H+](CCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067590 562663990 /nfs/dbraw/zinc/66/39/90/562663990.db2.gz WHPDQMKLUXKLEA-SSEXGKCCSA-N 1 1 502.666 5.765 1 0 KKAFMO c1ccc(CNCc2ccc(C[N@H+](CCc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049067590 562663991 /nfs/dbraw/zinc/66/39/91/562663991.db2.gz WHPDQMKLUXKLEA-SSEXGKCCSA-N 1 1 502.666 5.765 1 0 KKAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000049593090 562664958 /nfs/dbraw/zinc/66/49/58/562664958.db2.gz GGRJANYEADBCKA-DDKRZIBASA-N 1 1 572.672 5.095 1 0 KKAFMO C[C@@H](CNC(=O)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604945 562665114 /nfs/dbraw/zinc/66/51/14/562665114.db2.gz NNNAYENYEMNISJ-UXCMTWRGSA-N 1 1 543.711 6.801 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(OC[C@@H]3CCC[N@H+]3C)c(Cl)c2)C1 ZINC000049605257 562665583 /nfs/dbraw/zinc/66/55/83/562665583.db2.gz MMUBKUKLVTZZLG-KLJDGLGGSA-N 1 1 597.225 5.563 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605385 562665824 /nfs/dbraw/zinc/66/58/24/562665824.db2.gz HNSGUCXPDVWMRV-MNNSJKJDSA-N 1 1 562.076 5.814 1 0 KKAFMO O=C(COc1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049605606 562666105 /nfs/dbraw/zinc/66/61/05/562666105.db2.gz PVRBGHFNVBBGNS-UHFFFAOYSA-N 1 1 576.352 6.205 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605728 562666313 /nfs/dbraw/zinc/66/63/13/562666313.db2.gz FWOCVWATTUPVMG-ZCNNSNEGSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605791 562666366 /nfs/dbraw/zinc/66/63/66/562666366.db2.gz NLPYUOOSZXDDEC-SLFFLAALSA-N 1 1 572.364 6.586 1 0 KKAFMO O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605790 562666383 /nfs/dbraw/zinc/66/63/83/562666383.db2.gz NLPYUOOSZXDDEC-ZCNNSNEGSA-N 1 1 572.364 6.586 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccccc3)c2)CC1 ZINC000049605998 562666496 /nfs/dbraw/zinc/66/64/96/562666496.db2.gz GVMNIWVLFUQINH-UHFFFAOYSA-N 1 1 666.686 6.704 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000049614730 562666592 /nfs/dbraw/zinc/66/65/92/562666592.db2.gz CUPVMJGQJBLKFN-UHFFFAOYSA-N 1 1 643.756 7.460 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000049614730 562666593 /nfs/dbraw/zinc/66/65/93/562666593.db2.gz CUPVMJGQJBLKFN-UHFFFAOYSA-N 1 1 643.756 7.460 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)[N@@H+](C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625760 562666880 /nfs/dbraw/zinc/66/68/80/562666880.db2.gz DUQMUJILNSLNGH-OYRHEFFESA-N 1 1 535.648 6.548 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)c1 ZINC000049626701 562667307 /nfs/dbraw/zinc/66/73/07/562667307.db2.gz ZFZNQZYVMFLLBR-UHFFFAOYSA-N 1 1 552.600 8.477 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000049626817 562667395 /nfs/dbraw/zinc/66/73/95/562667395.db2.gz VDXKKUHLJJHUQH-WUXMJOGZSA-N 1 1 582.370 6.295 1 0 KKAFMO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(cc1OCc1ccccc1)CC[N@@H+](C1CCC1)CC2 ZINC000049626970 562667435 /nfs/dbraw/zinc/66/74/35/562667435.db2.gz ORDGGXBXVQFBRP-UHFFFAOYSA-N 1 1 588.169 7.284 1 0 KKAFMO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(cc1OCc1ccccc1)CC[N@H+](C1CCC1)CC2 ZINC000049626970 562667436 /nfs/dbraw/zinc/66/74/36/562667436.db2.gz ORDGGXBXVQFBRP-UHFFFAOYSA-N 1 1 588.169 7.284 1 0 KKAFMO COC(=O)[C@H](C)CCCCCC[C@@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049678404 562668510 /nfs/dbraw/zinc/66/85/10/562668510.db2.gz IJADPUQVQVKFSF-XTVFTIHOSA-N 1 1 537.785 7.236 1 0 KKAFMO O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049695225 562670320 /nfs/dbraw/zinc/67/03/20/562670320.db2.gz JNWVOPIDONHTEO-DKRHUIDYSA-N 1 1 555.504 6.794 1 0 KKAFMO COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccc(F)cc5)C4=O)cc3F)c2cc1OCCC[NH+]1CCOCC1 ZINC000049695401 562670504 /nfs/dbraw/zinc/67/05/04/562670504.db2.gz XETYZWDPAUDSEG-UHFFFAOYSA-N 1 1 633.652 5.889 1 0 KKAFMO CCCCCCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049711047 562671925 /nfs/dbraw/zinc/67/19/25/562671925.db2.gz XJMRUFRCXNEDPF-OEVOLBHTSA-N 1 1 574.593 6.757 1 0 KKAFMO CCOC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049722760 562672510 /nfs/dbraw/zinc/67/25/10/562672510.db2.gz UGNIWKNDOCCEKX-ZCHVWDMZSA-N 1 1 561.510 5.366 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCC[C@@H]3CCC[N@H+]3C)nc21 ZINC000049723233 562673097 /nfs/dbraw/zinc/67/30/97/562673097.db2.gz UOYQTZDZPSCJOI-KRWDZBQOSA-N 1 1 574.558 5.868 1 0 KKAFMO O=C(NCc1cccc2ccccc21)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049723314 562673181 /nfs/dbraw/zinc/67/31/81/562673181.db2.gz CPZSOZVZJMUMAC-QNGWXLTQSA-N 1 1 565.717 7.351 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049723328 562673299 /nfs/dbraw/zinc/67/32/99/562673299.db2.gz JYXSCEONQOQFOF-ARKLPKAPSA-N 1 1 613.552 7.626 1 0 KKAFMO CC(C)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049744758 562673463 /nfs/dbraw/zinc/67/34/63/562673463.db2.gz JIGUGHQILNEKMB-RGCCYVKUSA-N 1 1 559.582 6.950 1 0 KKAFMO Cn1c2ccccc2c2c1CC[N@H+](CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO1)C2 ZINC000049744821 562673518 /nfs/dbraw/zinc/67/35/18/562673518.db2.gz IQXWGZKFNGUKSB-HKBQPEDESA-N 1 1 548.514 6.301 1 0 KKAFMO CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744930 562673536 /nfs/dbraw/zinc/67/35/36/562673536.db2.gz CIPFNSORHWWFGG-HKFHRXRESA-N 1 1 650.776 5.738 1 0 KKAFMO Cc1cc(C[NH2+]C[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745699 562673996 /nfs/dbraw/zinc/67/39/96/562673996.db2.gz RSQLXGHJDNEGTM-JOCHJYFZSA-N 1 1 602.371 6.013 1 0 KKAFMO COc1cc(/C=C2\OC(=O)C=C2C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc(OC)c1OC ZINC000049746909 562674674 /nfs/dbraw/zinc/67/46/74/562674674.db2.gz KDXHUERBOUXECI-MBTHVWNTSA-N 1 1 585.100 6.281 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000049756016 562674786 /nfs/dbraw/zinc/67/47/86/562674786.db2.gz DJLKNUBTQXXGKD-UHFFFAOYSA-N 1 1 560.645 6.978 1 0 KKAFMO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049757344 562675866 /nfs/dbraw/zinc/67/58/66/562675866.db2.gz UPKUAZLDRZHBNE-PSWAGMNNSA-N 1 1 619.679 5.112 1 0 KKAFMO CN1CCN(Cc2ccc(NC(=O)OC[C@@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762225 562676407 /nfs/dbraw/zinc/67/64/07/562676407.db2.gz BNADKFGPICFCAD-AREMUKBSSA-N 1 1 543.693 5.302 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049762725 562676728 /nfs/dbraw/zinc/67/67/28/562676728.db2.gz YXKHZYNSINIHQT-NGQVCNFZSA-N 1 1 571.619 6.423 1 0 KKAFMO CC(C)[C@](C)([NH2+]Cc1ccc2ncccc2c1)c1cn([C@H](C)C(=O)COc2c(F)c(F)cc(F)c2F)nn1 ZINC000049766932 562677319 /nfs/dbraw/zinc/67/73/19/562677319.db2.gz ATLHAHUALOPSKJ-JWIGPWBQSA-N 1 1 529.538 5.253 1 0 KKAFMO CC(C)[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771179 562677983 /nfs/dbraw/zinc/67/79/83/562677983.db2.gz JJYCGWVLRXDIGY-FRMAJCGESA-N 1 1 639.979 6.033 1 0 KKAFMO CC(C)CC[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049777901 562680652 /nfs/dbraw/zinc/68/06/52/562680652.db2.gz ZHOHXFLPKBOXJU-FQLXRVMXSA-N 1 1 635.856 6.323 1 0 KKAFMO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778356 562681219 /nfs/dbraw/zinc/68/12/19/562681219.db2.gz HEILVIDOVAHKRM-SXLOSVNLSA-N 1 1 648.267 5.183 1 0 KKAFMO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc(Br)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049780294 562681556 /nfs/dbraw/zinc/68/15/56/562681556.db2.gz HTWYTMNPRRSIHZ-IRRNSTBUSA-N 1 1 720.916 5.231 1 0 KKAFMO CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049781164 562682731 /nfs/dbraw/zinc/68/27/31/562682731.db2.gz KMNARKQYUZICHM-ZRRKCSAHSA-N 1 1 600.194 6.703 1 0 KKAFMO C[N@H+]1CCc2cc(Nc3nccc(-c4c(-c5cccc(NC(=O)Cc6ccccc6)c5)nc5sccn54)n3)ccc2C1 ZINC000049781188 562682783 /nfs/dbraw/zinc/68/27/83/562682783.db2.gz MFPBQNCVIIGPOV-UHFFFAOYSA-N 1 1 571.710 6.433 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C[C@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784679 562683720 /nfs/dbraw/zinc/68/37/20/562683720.db2.gz NRQKOIIFRGQHPK-MPQUPPDSSA-N 1 1 627.867 6.098 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1Cc1ccccc1 ZINC000049785715 562684138 /nfs/dbraw/zinc/68/41/38/562684138.db2.gz YGYQFJDPVAAZHI-UHFFFAOYSA-N 1 1 561.557 6.761 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[N@H+]5CCCC[C@@H]5C)cc43)ccc2s1 ZINC000049802940 562686014 /nfs/dbraw/zinc/68/60/14/562686014.db2.gz ZQJHBBLMLRMQIY-IBGZPJMESA-N 1 1 534.682 6.417 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049832967 562687346 /nfs/dbraw/zinc/68/73/46/562687346.db2.gz ZSRPGLIIGIWYRJ-ANHUGMMASA-N 1 1 644.212 5.872 1 0 KKAFMO Cc1cc(N2CCC([NH+]3CCCC3)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc21 ZINC000049867356 562689449 /nfs/dbraw/zinc/68/94/49/562689449.db2.gz JKKIQRNCGVRLBH-AREMUKBSSA-N 1 1 547.103 5.090 1 0 KKAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)c(F)c2F)cc1 ZINC000049878702 562690753 /nfs/dbraw/zinc/69/07/53/562690753.db2.gz SVZCHDXRIPMIIX-IBGZPJMESA-N 1 1 577.452 5.267 1 0 KKAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccc(F)c(F)c2F)cc1 ZINC000049878702 562690754 /nfs/dbraw/zinc/69/07/54/562690754.db2.gz SVZCHDXRIPMIIX-IBGZPJMESA-N 1 1 577.452 5.267 1 0 KKAFMO CN1CC[C@]2(c3cccc4c3N[C@@H]3N(C)CC[C@]45[C@H]4Cc6c([C@]78CCN(C)[C@H]7Nc7ccccc78)cccc6[C@@]35CC[N@@H+]4C)c3ccccc3N[C@H]12 ZINC000049888993 562691677 /nfs/dbraw/zinc/69/16/77/562691677.db2.gz JCVNBMQABOOGJB-CYWVKMGSSA-N 1 1 689.952 5.956 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H](C2)[NH2+]3)cc1 ZINC000049899447 562693117 /nfs/dbraw/zinc/69/31/17/562693117.db2.gz GYAFYHGUVYTAJG-PZSMLTKBSA-N 1 1 730.327 6.323 1 0 KKAFMO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917589 562693646 /nfs/dbraw/zinc/69/36/46/562693646.db2.gz GGIHBVOKRSMNKK-GVAUOCQISA-N 1 1 543.539 5.768 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c(C)c2)CC1 ZINC000049917553 562693587 /nfs/dbraw/zinc/69/35/87/562693587.db2.gz IXAPGWPWIDFRAP-UHFFFAOYSA-N 1 1 586.058 6.161 1 0 KKAFMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049917629 562693677 /nfs/dbraw/zinc/69/36/77/562693677.db2.gz FHUJCSUZNVCZCB-MGBGTMOVSA-N 1 1 583.654 7.216 1 0 KKAFMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917614 562693682 /nfs/dbraw/zinc/69/36/82/562693682.db2.gz HOZWLRIMHVJKNF-SLFFLAALSA-N 1 1 605.916 6.952 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000049917977 562694264 /nfs/dbraw/zinc/69/42/64/562694264.db2.gz ZWCDCZKDHKRCSM-NRFANRHFSA-N 1 1 537.648 5.528 1 0 KKAFMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)ccc1O ZINC000049918013 562694355 /nfs/dbraw/zinc/69/43/55/562694355.db2.gz MJZMPGPUTMDZMW-OFSOJUDTSA-N 1 1 580.685 5.317 1 0 KKAFMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)ccc1O ZINC000049918013 562694356 /nfs/dbraw/zinc/69/43/56/562694356.db2.gz MJZMPGPUTMDZMW-OFSOJUDTSA-N 1 1 580.685 5.317 1 0 KKAFMO Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6nccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049918049 562694407 /nfs/dbraw/zinc/69/44/07/562694407.db2.gz OXORWKJRAVGRDD-MHZLTWQESA-N 1 1 553.710 6.554 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000049918121 562694480 /nfs/dbraw/zinc/69/44/80/562694480.db2.gz OYNFNIUONBHBTC-ICCXZJDVSA-N 1 1 609.598 7.619 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000049918136 562694513 /nfs/dbraw/zinc/69/45/13/562694513.db2.gz LCLZHEAWGYJZLV-YVIRBKRRSA-N 1 1 617.643 6.312 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCOc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049918153 562694585 /nfs/dbraw/zinc/69/45/85/562694585.db2.gz PSMUDBZEMDXFLN-UHFFFAOYSA-N 1 1 563.654 5.975 1 0 KKAFMO CC[N@@H+](CCC(C)(C)c1ccc(Cl)cc1)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000049938428 562695260 /nfs/dbraw/zinc/69/52/60/562695260.db2.gz LLHJBFFDBZCULR-JHOUSYSJSA-N 1 1 669.232 8.056 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)c3ccc(Cl)cc3)C2)C1 ZINC000049942277 562695415 /nfs/dbraw/zinc/69/54/15/562695415.db2.gz HBXQWXWOURVHKD-ZWXJPIIXSA-N 1 1 655.205 7.666 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2c(F)cccc2F)cc1 ZINC000053093632 562696272 /nfs/dbraw/zinc/69/62/72/562696272.db2.gz YCJOYRXLFOTOAW-UHFFFAOYSA-N 1 1 628.680 5.440 1 0 KKAFMO CCNC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2c(F)cccc2F)cc1 ZINC000053093632 562696273 /nfs/dbraw/zinc/69/62/73/562696273.db2.gz YCJOYRXLFOTOAW-UHFFFAOYSA-N 1 1 628.680 5.440 1 0 KKAFMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297058 562697416 /nfs/dbraw/zinc/69/74/16/562697416.db2.gz FAIUHYZCSXCGFU-HSZRJFAPSA-N 1 1 580.615 5.571 1 0 KKAFMO CCn1nc(Cc2ccc(OC)c(OC)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000055646874 562697705 /nfs/dbraw/zinc/69/77/05/562697705.db2.gz RCAXDUZVJIMXJF-UFZHQWOOSA-N 1 1 620.810 6.044 1 0 KKAFMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C3)c1OC ZINC000055310506 562697729 /nfs/dbraw/zinc/69/77/29/562697729.db2.gz MCUVJAGKJIIJNL-UHFFFAOYSA-N 1 1 506.002 5.818 1 0 KKAFMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C3)c1OC ZINC000055310506 562697730 /nfs/dbraw/zinc/69/77/30/562697730.db2.gz MCUVJAGKJIIJNL-UHFFFAOYSA-N 1 1 506.002 5.818 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000058549977 562699139 /nfs/dbraw/zinc/69/91/39/562699139.db2.gz RWSZLMVCERHQGM-BHDXBOSCSA-N 1 1 506.646 6.019 1 0 KKAFMO CN(Cc1ccccc1)C(=S)SC[C@H](O)C[N@@H+](C)CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000058566818 562699507 /nfs/dbraw/zinc/69/95/07/562699507.db2.gz RRXLVZYMIDIHBC-VPUSJEBWSA-N 1 1 562.723 6.658 1 0 KKAFMO 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)N1CCOCC1 ZINC000058592597 562700651 /nfs/dbraw/zinc/70/06/51/562700651.db2.gz XDVCARASNWEHQA-FBXLTAPESA-N 1 1 658.230 5.821 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000058598786 562700764 /nfs/dbraw/zinc/70/07/64/562700764.db2.gz DOVNDOSDULTCGE-NPLMNSEMSA-N 1 1 624.821 5.213 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cccnn1 ZINC000058598786 562700765 /nfs/dbraw/zinc/70/07/65/562700765.db2.gz DOVNDOSDULTCGE-NPLMNSEMSA-N 1 1 624.821 5.213 1 0 KKAFMO C[S@](=O)(=NCC[NH+]1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000059297365 562701987 /nfs/dbraw/zinc/70/19/87/562701987.db2.gz WLZSLUVKTMOZQJ-DIPNUNPCSA-N 1 1 560.507 5.446 1 0 KKAFMO CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(C[N@@H+](CC)C/C3=C\c3ccc(C)cc3)[C@H](c3ccc(C)cc3)N12 ZINC000064448749 562705534 /nfs/dbraw/zinc/70/55/34/562705534.db2.gz CLKHEKQGFSCBKT-RBPAETEQSA-N 1 1 559.714 6.395 1 0 KKAFMO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1c(F)cc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453994 562705706 /nfs/dbraw/zinc/70/57/06/562705706.db2.gz BVVMYZVXLZHYKF-PMACEKPBSA-N 1 1 534.574 5.173 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1c(F)cc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453994 562705707 /nfs/dbraw/zinc/70/57/07/562705707.db2.gz BVVMYZVXLZHYKF-PMACEKPBSA-N 1 1 534.574 5.173 1 0 KKAFMO Cc1nc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)no1 ZINC000064513594 562706419 /nfs/dbraw/zinc/70/64/19/562706419.db2.gz OJRQPZOLXCDUKG-REUBFRLUSA-N 1 1 625.204 7.457 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2nnco2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064527764 562707154 /nfs/dbraw/zinc/70/71/54/562707154.db2.gz OJUNTGQGOBJANH-WEWMWRJBSA-N 1 1 611.177 7.149 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc32)cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000064539432 562707525 /nfs/dbraw/zinc/70/75/25/562707525.db2.gz RSJVGLPWDDRTNO-UHFFFAOYSA-N 1 1 568.722 5.728 1 0 KKAFMO CC(C)(c1ccc(NC(=O)CN2CCCC2)cc1)c1ccc(C(C)(C)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000066066561 562709450 /nfs/dbraw/zinc/70/94/50/562709450.db2.gz URVBAAUQHXMRHC-UHFFFAOYSA-N 1 1 566.790 6.407 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073968 562709612 /nfs/dbraw/zinc/70/96/12/562709612.db2.gz RXIFDJMCJKEING-XIFFEERXSA-N 1 1 606.815 5.653 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066074423 562709862 /nfs/dbraw/zinc/70/98/62/562709862.db2.gz JVAFIFLJBRUNJB-WJOKGBTCSA-N 1 1 578.761 5.220 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079087 562710549 /nfs/dbraw/zinc/71/05/49/562710549.db2.gz ZCWZXRIDERBDQN-NRFANRHFSA-N 1 1 530.544 5.190 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066079087 562710550 /nfs/dbraw/zinc/71/05/50/562710550.db2.gz ZCWZXRIDERBDQN-NRFANRHFSA-N 1 1 530.544 5.190 1 0 KKAFMO CC(C)(c1ccc(NC(=O)CN2CCCC2)cc1)c1cccc(C(C)(C)c2ccc(NC(=O)C[NH+]3CCCC3)cc2)c1 ZINC000066098036 562710869 /nfs/dbraw/zinc/71/08/69/562710869.db2.gz ZZMIUFDQXILGIZ-UHFFFAOYSA-N 1 1 566.790 6.407 1 0 KKAFMO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104360 562711692 /nfs/dbraw/zinc/71/16/92/562711692.db2.gz VZDMPXBUIWEQHN-UUWRZZSWSA-N 1 1 620.842 6.043 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066104360 562711693 /nfs/dbraw/zinc/71/16/93/562711693.db2.gz VZDMPXBUIWEQHN-UUWRZZSWSA-N 1 1 620.842 6.043 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000066136308 562713036 /nfs/dbraw/zinc/71/30/36/562713036.db2.gz FYUDBAMLWPXVFL-RLYJWURVSA-N 1 1 629.802 5.149 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136359 562713077 /nfs/dbraw/zinc/71/30/77/562713077.db2.gz QBCPLURXVNHHSR-ZLESDFJESA-N 1 1 628.009 6.270 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000066136636 562713255 /nfs/dbraw/zinc/71/32/55/562713255.db2.gz QMWRRMYICQUONI-ULQPQYINSA-N 1 1 627.807 5.435 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000066138947 562713392 /nfs/dbraw/zinc/71/33/92/562713392.db2.gz NOWHXTYRWKQEBH-RDXDNIQESA-N 1 1 626.729 6.614 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000066148681 562713637 /nfs/dbraw/zinc/71/36/37/562713637.db2.gz DHCQKYJUILKYHB-NVOANOBXSA-N 1 1 607.751 6.012 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CC3)cc2CC1=O ZINC000066167181 562714273 /nfs/dbraw/zinc/71/42/73/562714273.db2.gz PQKMCXHOMZBFEK-TWVHRYOLSA-N 1 1 571.718 5.108 3 0 KKAFMO C[N@H+]1CCCC[C@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251144 562714427 /nfs/dbraw/zinc/71/44/27/562714427.db2.gz JZNBBUHXLHNYJX-FQEVSTJZSA-N 1 1 579.593 6.154 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[N@H+](C3CCOCC3)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068078767 562715767 /nfs/dbraw/zinc/71/57/67/562715767.db2.gz YOVYFFNNBORHTK-LXQNXJGFSA-N 1 1 652.230 6.275 1 0 KKAFMO COc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071294987 562717050 /nfs/dbraw/zinc/71/70/50/562717050.db2.gz SZAANLLMNABGDA-BWMKXQIXSA-N 1 1 548.731 6.477 1 0 KKAFMO COc1ccc(CC[N@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC ZINC000071316418 562717933 /nfs/dbraw/zinc/71/79/33/562717933.db2.gz BFJYFZCAHAPDKV-RPLLCQBOSA-N 1 1 522.089 5.111 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000071330648 562719176 /nfs/dbraw/zinc/71/91/76/562719176.db2.gz YMSJXXKWDBHBAF-JYFHCDHNSA-N 1 1 542.598 5.419 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072104204 562720401 /nfs/dbraw/zinc/72/04/01/562720401.db2.gz BXFZIXJRVHHTCE-DOKVQHETSA-N 1 1 678.336 6.448 3 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109995 562721705 /nfs/dbraw/zinc/72/17/05/562721705.db2.gz CMEPDLTWIKLVDG-GKRYNVPLSA-N 1 1 628.248 7.339 1 0 KKAFMO C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@H+]1CCC(F)(F)C1 ZINC000072110399 562721800 /nfs/dbraw/zinc/72/18/00/562721800.db2.gz JDVSLSGSBKIBLY-URAOTHONSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@@H+]1CCC(F)(F)C1 ZINC000072110399 562721799 /nfs/dbraw/zinc/72/17/99/562721799.db2.gz JDVSLSGSBKIBLY-URAOTHONSA-N 1 1 539.070 6.057 1 0 KKAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)CCc2ccccn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110846 562721838 /nfs/dbraw/zinc/72/18/38/562721838.db2.gz AAAOTGDHZDZLFN-UHFFFAOYSA-N 1 1 682.753 5.960 1 0 KKAFMO C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111181 562721917 /nfs/dbraw/zinc/72/19/17/562721917.db2.gz BRIOAEVHOZQBJW-YQLOHFSOSA-N 1 1 588.755 6.583 1 0 KKAFMO COc1cccc(CN2C[C@@H](C)[N@@H+](C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CCC(=O)[C@@]6(C)CC[C@@H]54)C3)C[C@@H]2C)c1 ZINC000072111470 562721994 /nfs/dbraw/zinc/72/19/94/562721994.db2.gz FXHJFVBIFNFURF-JLDOSVOOSA-N 1 1 536.801 5.933 1 0 KKAFMO C[C@@H]1CN(C(=O)c2ccccc2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112102 562722039 /nfs/dbraw/zinc/72/20/39/562722039.db2.gz UQIQJLFPVUVNNJ-CHWPHWHQSA-N 1 1 520.758 5.564 1 0 KKAFMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112721 562722167 /nfs/dbraw/zinc/72/21/67/562722167.db2.gz RBGMXQYBCHIQGD-FYCJCQSNSA-N 1 1 624.810 6.132 1 0 KKAFMO COC(=O)C1(CNC(=O)c2cc(Cl)cc(Cl)c2)CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000072124436 562725080 /nfs/dbraw/zinc/72/50/80/562725080.db2.gz RWQSOMRDQCSUAT-UHFFFAOYSA-N 1 1 503.348 5.197 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCOCC2)c(OC(C)C)c1 ZINC000072113437 562722361 /nfs/dbraw/zinc/72/23/61/562722361.db2.gz ALKDDWSRPFXJJZ-FIRIVFDPSA-N 1 1 596.555 6.583 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCN(C)CC2)c(OC(C)C)c1 ZINC000072114811 562722821 /nfs/dbraw/zinc/72/28/21/562722821.db2.gz DKXHFFZMSYMRIM-AJQTZOPKSA-N 1 1 609.598 6.498 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127048 562725581 /nfs/dbraw/zinc/72/55/81/562725581.db2.gz GMAGJOWBPJKTNU-CUPIEXAXSA-N 1 1 678.025 6.172 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128002 562725993 /nfs/dbraw/zinc/72/59/93/562725993.db2.gz ULDPFQYFHJFBOQ-SPWOZAQASA-N 1 1 726.069 6.759 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128657 562726190 /nfs/dbraw/zinc/72/61/90/562726190.db2.gz CVZSJBNOKILKBT-KWRMZWAXSA-N 1 1 662.026 6.467 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000072129808 562726438 /nfs/dbraw/zinc/72/64/38/562726438.db2.gz QIFOUWVZHMYOII-ZVBBVAIHSA-N 1 1 682.237 6.356 1 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072136805 562728130 /nfs/dbraw/zinc/72/81/30/562728130.db2.gz LNOONYYMKWMXCL-UHFFFAOYSA-N 1 1 548.441 5.269 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072137768 562728432 /nfs/dbraw/zinc/72/84/32/562728432.db2.gz XQPNHXSRRFIWRA-UHFFFAOYSA-N 1 1 551.485 5.503 3 0 KKAFMO O=C(N[C@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000072139436 562728934 /nfs/dbraw/zinc/72/89/34/562728934.db2.gz RQAQGPBQCLJWKA-GDLZYMKVSA-N 1 1 531.487 6.568 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072141837 562729406 /nfs/dbraw/zinc/72/94/06/562729406.db2.gz OHQLEHLHTMWMEB-WNQXLSPZSA-N 1 1 678.025 6.172 3 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173262 562730846 /nfs/dbraw/zinc/73/08/46/562730846.db2.gz ARAUTCYYUOPIHD-ZKBJDZFASA-N 1 1 647.048 5.590 1 0 KKAFMO C[N@H+]1CCc2ccc(Nc3nccc(-c4c(-c5cccc(NC(=O)Nc6c(F)cccc6F)c5)nc5ccccn54)n3)cc2C1 ZINC000072176058 562731480 /nfs/dbraw/zinc/73/14/80/562731480.db2.gz FAARBONZNUWMQE-UHFFFAOYSA-N 1 1 602.649 7.112 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@H]1C)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073165327 562734409 /nfs/dbraw/zinc/73/44/09/562734409.db2.gz OOABQHAHAYDPIZ-JOCHJYFZSA-N 1 1 630.214 8.454 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000073197654 562735411 /nfs/dbraw/zinc/73/54/11/562735411.db2.gz YSVMMPOFNJLWKA-SVBPBHIXSA-N 1 1 559.106 5.964 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](CCc2ccccc2)C1=O ZINC000073198373 562735677 /nfs/dbraw/zinc/73/56/77/562735677.db2.gz LVWYTEIVGDGPOX-VMPREFPWSA-N 1 1 538.688 5.701 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCC[N@@H+](CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198749 562735813 /nfs/dbraw/zinc/73/58/13/562735813.db2.gz BGWJXKZYWIIMQN-FCHUYYIVSA-N 1 1 544.614 6.139 1 0 KKAFMO Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H]([N@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150329 562739792 /nfs/dbraw/zinc/73/97/92/562739792.db2.gz YBSRGQCJZVKVHS-XJFCNFDWSA-N 1 1 625.608 7.090 1 0 KKAFMO CC(C)c1c(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082155559 562740591 /nfs/dbraw/zinc/74/05/91/562740591.db2.gz LAXCAPZKHZORNM-HDVYEJASSA-N 1 1 539.204 7.056 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164701 562741195 /nfs/dbraw/zinc/74/11/95/562741195.db2.gz SZDNRBMQYZRUIM-FJQKOURKSA-N 1 1 691.862 5.110 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2)n1 ZINC000084596935 562743858 /nfs/dbraw/zinc/74/38/58/562743858.db2.gz KJSJGKZRWAJSKH-LOSJGSFVSA-N 1 1 542.074 5.727 1 0 KKAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084603246 562744127 /nfs/dbraw/zinc/74/41/27/562744127.db2.gz KDTJORYHBNCAEH-UHFFFAOYSA-N 1 1 564.778 6.124 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652402 562746551 /nfs/dbraw/zinc/74/65/51/562746551.db2.gz BVBOTXZHHHFXGV-VVGJDDNMSA-N 1 1 592.743 8.209 1 0 KKAFMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084669049 562747849 /nfs/dbraw/zinc/74/78/49/562747849.db2.gz LNFWQYLBJACNJM-HSZRJFAPSA-N 1 1 566.689 6.435 1 0 KKAFMO O=C(N[C@H]1CC[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]21)C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000084670629 562748385 /nfs/dbraw/zinc/74/83/85/562748385.db2.gz AVKCVRJFBPWNND-BYXVTNLJSA-N 1 1 514.538 6.142 1 0 KKAFMO CCc1cc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc2c(CC)n1 ZINC000084689901 562749439 /nfs/dbraw/zinc/74/94/39/562749439.db2.gz AKFTVHIQODWVBE-XFMKWLAHSA-N 1 1 632.709 5.168 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733516 562751889 /nfs/dbraw/zinc/75/18/89/562751889.db2.gz OLGGEMHVMHDMBQ-YPSQYFHOSA-N 1 1 699.254 10.552 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538400 562754738 /nfs/dbraw/zinc/75/47/38/562754738.db2.gz UAVBFUVYYFZMQC-YSEFVLSOSA-N 1 1 782.751 5.751 1 0 KKAFMO CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CC[NH+](CCc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000095542803 562756853 /nfs/dbraw/zinc/75/68/53/562756853.db2.gz ZTZSPWITMITEAK-QNGWXLTQSA-N 1 1 749.915 5.169 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095548768 562759454 /nfs/dbraw/zinc/75/94/54/562759454.db2.gz PJGYNGUMVCKFGH-UHFFFAOYSA-N 1 1 776.887 6.194 1 0 KKAFMO Nc1sc(-c2ccc(Cl)cc2)c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556599 562761863 /nfs/dbraw/zinc/76/18/63/562761863.db2.gz FMNBHRWVVWZOCV-UHFFFAOYSA-N 1 1 590.498 7.876 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000095557303 562762084 /nfs/dbraw/zinc/76/20/84/562762084.db2.gz RFZWBVODGHIKRI-OMAKSLIJSA-N 1 1 655.257 6.698 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000095558047 562762323 /nfs/dbraw/zinc/76/23/23/562762323.db2.gz OLTPFWNWJCDYFP-KMHPXQNHSA-N 1 1 824.423 5.561 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095564919 562764513 /nfs/dbraw/zinc/76/45/13/562764513.db2.gz AGQRDMGTSVKJPI-CZBREUMFSA-N 1 1 599.654 5.025 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095566413 562764947 /nfs/dbraw/zinc/76/49/47/562764947.db2.gz FKBDGSUSUALVGO-BVTPYHFJSA-N 1 1 674.842 6.433 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566476 562764995 /nfs/dbraw/zinc/76/49/95/562764995.db2.gz YLCYRDPZGWCEPF-RDXDNIQESA-N 1 1 631.770 5.646 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566776 562765227 /nfs/dbraw/zinc/76/52/27/562765227.db2.gz PEUKOTPXCYQHOA-GMERYBDXSA-N 1 1 690.848 7.657 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566790 562765266 /nfs/dbraw/zinc/76/52/66/562765266.db2.gz YDGJQJIVZCLABT-ABGITXETSA-N 1 1 641.834 5.744 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566867 562765306 /nfs/dbraw/zinc/76/53/06/562765306.db2.gz JQXCVRFSCSGTFT-WOGZVKCMSA-N 1 1 634.626 5.384 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567134 562765563 /nfs/dbraw/zinc/76/55/63/562765563.db2.gz OFYJPRSBIVOGOZ-WURXVLGASA-N 1 1 666.663 6.649 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567220 562765571 /nfs/dbraw/zinc/76/55/71/562765571.db2.gz OYNIYJJSCYRIFI-UXUDLTKPSA-N 1 1 666.775 6.133 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095567333 562765700 /nfs/dbraw/zinc/76/57/00/562765700.db2.gz AHIVZLPYNOMDAU-GJCZEXATSA-N 1 1 608.739 6.475 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095567474 562765879 /nfs/dbraw/zinc/76/58/79/562765879.db2.gz YDGJQJIVZCLABT-KAUPTSPVSA-N 1 1 641.834 5.744 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095567484 562765882 /nfs/dbraw/zinc/76/58/82/562765882.db2.gz QLYAZMSBNLAUET-FXZPAHAQSA-N 1 1 692.842 5.735 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567601 562765940 /nfs/dbraw/zinc/76/59/40/562765940.db2.gz SYWCYXHAIYXQLV-BCDQWZCSSA-N 1 1 640.124 5.512 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccc(C(=O)Nc3ccccc3N)cc1)[C@@H](C)CN([C@@H](C)CO)C2=O ZINC000095568133 562766317 /nfs/dbraw/zinc/76/63/17/562766317.db2.gz UEFSEUYLSLNFHQ-GUARRIROSA-N 1 1 669.783 5.122 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568142 562766329 /nfs/dbraw/zinc/76/63/29/562766329.db2.gz WZRJGOIAGUHCGN-ILLIAVPXSA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095568346 562766476 /nfs/dbraw/zinc/76/64/76/562766476.db2.gz UUCMFHNJLLHFQV-RLYJWURVSA-N 1 1 598.788 6.160 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569071 562767124 /nfs/dbraw/zinc/76/71/24/562767124.db2.gz GQWDZONLPIYMSR-HSHANODTSA-N 1 1 672.826 7.557 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569260 562767263 /nfs/dbraw/zinc/76/72/63/562767263.db2.gz GQPLODGYDYCVNT-JAOJVIEDSA-N 1 1 650.625 5.084 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O ZINC000095569206 562767277 /nfs/dbraw/zinc/76/72/77/562767277.db2.gz IQSVNIDGIMJPQN-KTYLLXISSA-N 1 1 592.740 5.282 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569224 562767290 /nfs/dbraw/zinc/76/72/90/562767290.db2.gz JCTQRGBOQISLQK-BBACVFHCSA-N 1 1 664.042 6.626 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095569369 562767412 /nfs/dbraw/zinc/76/74/12/562767412.db2.gz AMEWTOKWBIKYEC-UXVOWUFOSA-N 1 1 664.807 5.446 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569521 562767473 /nfs/dbraw/zinc/76/74/73/562767473.db2.gz UFTUBZJHXRESLK-WEVAMHJFSA-N 1 1 724.723 6.861 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569772 562767668 /nfs/dbraw/zinc/76/76/68/562767668.db2.gz YUKCNNACWFASQX-NCXSOUSFSA-N 1 1 628.648 5.430 1 0 KKAFMO COc1ccc(-c2ccc3[nH]c4c(c3c2)CC[N@@H+]2C[C@@H]([C@H](C)OC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000095569788 562767677 /nfs/dbraw/zinc/76/76/77/562767677.db2.gz JJIBXCMMUFYZCP-IOGSDMBWSA-N 1 1 781.568 10.546 3 0 KKAFMO COc1ccc(-c2ccc3[nH]c4c(c3c2)CC[N@H+]2C[C@@H]([C@H](C)OC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000095569788 562767678 /nfs/dbraw/zinc/76/76/78/562767678.db2.gz JJIBXCMMUFYZCP-IOGSDMBWSA-N 1 1 781.568 10.546 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767824 /nfs/dbraw/zinc/76/78/24/562767824.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N 1 1 620.599 5.075 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095570391 562768168 /nfs/dbraw/zinc/76/81/68/562768168.db2.gz MLNWPGCJBNVZPL-IKTKBOKFSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095570391 562768169 /nfs/dbraw/zinc/76/81/69/562768169.db2.gz MLNWPGCJBNVZPL-IKTKBOKFSA-N 1 1 706.265 5.327 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000095570689 562768384 /nfs/dbraw/zinc/76/83/84/562768384.db2.gz IYUYFFMDIZMYQH-WNQXLSPZSA-N 1 1 619.989 6.227 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095570848 562768570 /nfs/dbraw/zinc/76/85/70/562768570.db2.gz NGQWRAJVXVPGQM-CBUPUIKESA-N 1 1 668.770 5.656 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570989 562768669 /nfs/dbraw/zinc/76/86/69/562768669.db2.gz LZRMYYQDLQFCEK-MOMKMGCSSA-N 1 1 728.809 7.006 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095571203 562768831 /nfs/dbraw/zinc/76/88/31/562768831.db2.gz AEAUQEWSZQQTML-MKGJDZFWSA-N 1 1 552.675 5.288 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571509 562769031 /nfs/dbraw/zinc/76/90/31/562769031.db2.gz URAPLHCKRADHID-OUDXUNEISA-N 1 1 626.701 5.920 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571554 562769101 /nfs/dbraw/zinc/76/91/01/562769101.db2.gz RKFPRZNLXVJUNG-PDTNBVABSA-N 1 1 627.807 5.815 1 0 KKAFMO C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CC[N@H+]1Cc1cccc(-c2ccccc2Cl)c1 ZINC000095571758 562769185 /nfs/dbraw/zinc/76/91/85/562769185.db2.gz ZNJPYGAZHWKTMZ-AFMDSPMNSA-N 1 1 500.039 5.224 1 0 KKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc2)cc1)Cc1ccccc1 ZINC000095572570 562769475 /nfs/dbraw/zinc/76/94/75/562769475.db2.gz KNDNTYBIRAVLQO-UHFFFAOYSA-N 1 1 660.855 8.503 1 0 KKAFMO CCN(CCCCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095574980 562770170 /nfs/dbraw/zinc/77/01/70/562770170.db2.gz JTEVTVVXIIHVBV-UHFFFAOYSA-N 1 1 541.765 7.170 1 0 KKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)Cc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577099 562770820 /nfs/dbraw/zinc/77/08/20/562770820.db2.gz JUNNRNPPDPOZCZ-WDJKZLNSSA-N 1 1 565.069 5.820 1 0 KKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC/C=C/c1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577516 562770982 /nfs/dbraw/zinc/77/09/82/562770982.db2.gz SHNLAVNKNFYRDC-YKYMNFOOSA-N 1 1 563.097 6.764 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2[nH+]ccn2Cc2ccc(-c3ccccc3)cc2)c2c1CCC2 ZINC000095590372 562775252 /nfs/dbraw/zinc/77/52/52/562775252.db2.gz XZIQJJZLNYPFDY-UHFFFAOYSA-N 1 1 522.649 6.124 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598812 562777549 /nfs/dbraw/zinc/77/75/49/562777549.db2.gz UPYOMULBLKVBBL-OAGJSAJJSA-N 1 1 622.851 6.638 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095598893 562777623 /nfs/dbraw/zinc/77/76/23/562777623.db2.gz ZBBNPLMVFVREHD-PQKZQXQFSA-N 1 1 719.867 6.742 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095599258 562777920 /nfs/dbraw/zinc/77/79/20/562777920.db2.gz KTOLAWMRFLMANX-JCLAXVLHSA-N 1 1 683.812 6.814 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599305 562777923 /nfs/dbraw/zinc/77/79/23/562777923.db2.gz QMCFBRPLMVFDBX-DLVGFNCXSA-N 1 1 740.285 7.087 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599792 562778331 /nfs/dbraw/zinc/77/83/31/562778331.db2.gz UQRVVYXDOOLUAO-DLVGFNCXSA-N 1 1 723.830 6.573 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599920 562778457 /nfs/dbraw/zinc/77/84/57/562778457.db2.gz JUEHVKXRGUAEIX-ZXRNXFTDSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600064 562778569 /nfs/dbraw/zinc/77/85/69/562778569.db2.gz ORTMWWQHMCADOR-ZXRNXFTDSA-N 1 1 741.178 7.375 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600353 562778809 /nfs/dbraw/zinc/77/88/09/562778809.db2.gz LFZLAWVTNRSJHJ-MGXQNUJRSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095600466 562778918 /nfs/dbraw/zinc/77/89/18/562778918.db2.gz IPHPJQSEBAVJJG-DVHCVUMVSA-N 1 1 591.580 5.800 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600605 562779031 /nfs/dbraw/zinc/77/90/31/562779031.db2.gz LMYACBAJSFEPOG-KIAQLKRMSA-N 1 1 617.791 5.653 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600660 562779120 /nfs/dbraw/zinc/77/91/20/562779120.db2.gz AGQRDMGTSVKJPI-BALWLHIASA-N 1 1 599.654 5.025 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600974 562779397 /nfs/dbraw/zinc/77/93/97/562779397.db2.gz JUEHVKXRGUAEIX-NSNSFMLXSA-N 1 1 753.690 8.584 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602327 562779971 /nfs/dbraw/zinc/77/99/71/562779971.db2.gz UQRVVYXDOOLUAO-GJWZSCNASA-N 1 1 723.830 6.573 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095602345 562780069 /nfs/dbraw/zinc/78/00/69/562780069.db2.gz GHZMXVOCHVGOQG-NSTRGFCRSA-N 1 1 635.850 5.529 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095602656 562780158 /nfs/dbraw/zinc/78/01/58/562780158.db2.gz NPEDMRUCBXVYJC-JQASONJCSA-N 1 1 660.737 7.369 3 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095603343 562780442 /nfs/dbraw/zinc/78/04/42/562780442.db2.gz YKADZYQVAJPHMU-ZYGBHLQISA-N 1 1 657.918 6.103 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095603375 562780515 /nfs/dbraw/zinc/78/05/15/562780515.db2.gz ISGWUMSRLISZDA-JALBGMRZSA-N 1 1 720.760 7.030 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095604367 562780979 /nfs/dbraw/zinc/78/09/79/562780979.db2.gz ZBBNPLMVFVREHD-OCJGHMAWSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095604538 562781044 /nfs/dbraw/zinc/78/10/44/562781044.db2.gz CMLTYIJXOZVOLL-RYOMNGFGSA-N 1 1 612.815 6.089 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604846 562781236 /nfs/dbraw/zinc/78/12/36/562781236.db2.gz UIKXZKCHSBRXDR-FBTROWELSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605214 562781445 /nfs/dbraw/zinc/78/14/45/562781445.db2.gz OMMOJELOODPTJH-BWLKTWDLSA-N 1 1 661.881 5.934 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095605420 562781537 /nfs/dbraw/zinc/78/15/37/562781537.db2.gz UPYOMULBLKVBBL-JPWDMULGSA-N 1 1 622.851 6.638 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095605674 562781660 /nfs/dbraw/zinc/78/16/60/562781660.db2.gz KTOLAWMRFLMANX-GBJJYOARSA-N 1 1 683.812 6.814 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095605719 562781687 /nfs/dbraw/zinc/78/16/87/562781687.db2.gz PIPSXTOHKBCCEO-MJQNYGCISA-N 1 1 702.790 7.416 1 0 KKAFMO COc1c(I)cc(C[C@@H]2[NH2+]CCc3c(I)c(O)c(I)cc32)cc1I ZINC000095606011 562781869 /nfs/dbraw/zinc/78/18/69/562781869.db2.gz NMLWKDGECWNCKU-AWEZNQCLSA-N 1 1 772.928 5.249 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606420 562782080 /nfs/dbraw/zinc/78/20/80/562782080.db2.gz IFRLDTPFDARKBP-OKRUAUFTSA-N 1 1 604.811 6.426 1 0 KKAFMO O=C(C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000095607583 562782861 /nfs/dbraw/zinc/78/28/61/562782861.db2.gz AACVFPBDJIZOLP-CCGNRUJASA-N 1 1 779.860 6.301 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)[C@@H]3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 ZINC000095613110 562786100 /nfs/dbraw/zinc/78/61/00/562786100.db2.gz RLNPOKFCWGHIDM-AGKISISNSA-N 1 1 738.798 8.556 1 0 KKAFMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)C(=O)Cc2ccccc2)c(C)c2c1OC(C)(C)CC2 ZINC000095615581 562787403 /nfs/dbraw/zinc/78/74/03/562787403.db2.gz WPDRCRQGATVHNR-GXMSHJNRSA-N 1 1 806.039 6.094 1 0 KKAFMO CC(C)N1C[C@@H](C[N@@H+](C)[C@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665587 562788184 /nfs/dbraw/zinc/78/81/84/562788184.db2.gz DDRAIKDBHFHCOA-AUSIDOKSSA-N 1 1 507.034 5.292 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000095670062 562788218 /nfs/dbraw/zinc/78/82/18/562788218.db2.gz CZVLXTAHCSHXFS-DHLKQENFSA-N 1 1 527.505 6.606 1 0 KKAFMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680090 562788370 /nfs/dbraw/zinc/78/83/70/562788370.db2.gz AYFIOZIDKGBGDF-SYZUXVNWSA-N 1 1 602.757 5.563 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095699221 562788563 /nfs/dbraw/zinc/78/85/63/562788563.db2.gz ZBSMIXMEGWTGMY-BCIXQDHQSA-N 1 1 583.773 6.225 1 0 KKAFMO O=C(OCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000095696616 562788570 /nfs/dbraw/zinc/78/85/70/562788570.db2.gz UBGZPFWTPNLWKB-UHFFFAOYSA-N 1 1 570.999 6.509 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095773910 562788996 /nfs/dbraw/zinc/78/89/96/562788996.db2.gz LZRMYYQDLQFCEK-BEOVJFKUSA-N 1 1 728.809 7.006 1 0 KKAFMO 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(NS(C)(=O)=O)cc2C1=O ZINC000095783197 562789072 /nfs/dbraw/zinc/78/90/72/562789072.db2.gz ORGCMGRUUGCKJF-NXRFZHLESA-N 1 1 643.769 5.004 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095820363 562789241 /nfs/dbraw/zinc/78/92/41/562789241.db2.gz BRLOPYDCQRYQOS-WLCCTRHUSA-N 1 1 636.255 5.278 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095833922 562789358 /nfs/dbraw/zinc/78/93/58/562789358.db2.gz CHJXKWAEWBFEIT-DGIFUFQNSA-N 1 1 628.751 5.143 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095847234 562789479 /nfs/dbraw/zinc/78/94/79/562789479.db2.gz AZOGTZJHFHJISV-ZJDJHBDQSA-N 1 1 629.779 5.632 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095847234 562789480 /nfs/dbraw/zinc/78/94/80/562789480.db2.gz AZOGTZJHFHJISV-ZJDJHBDQSA-N 1 1 629.779 5.632 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3c(NC(=O)c4ccc(-c5nccs5)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095854036 562789562 /nfs/dbraw/zinc/78/95/62/562789562.db2.gz NPRJPXXRXRRIKZ-HFZPWKHCSA-N 1 1 614.768 5.423 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095854958 562789666 /nfs/dbraw/zinc/78/96/66/562789666.db2.gz ZBSMIXMEGWTGMY-UVNCRYBCSA-N 1 1 583.773 6.225 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872125 562789975 /nfs/dbraw/zinc/78/99/75/562789975.db2.gz SWKZJGSDPIEMIQ-WTYVLRPYSA-N 1 1 579.532 6.016 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872384 562790082 /nfs/dbraw/zinc/79/00/82/562790082.db2.gz XDKJWJXCXRUBMR-ZOYWYXQUSA-N 1 1 578.713 6.506 3 0 KKAFMO COc1ccc(C(F)(F)F)cc1-c1cccc2nc(Nc3ccc4c(c3)CC[N@H+](CCSC)CC4)nn21 ZINC000096169745 562790858 /nfs/dbraw/zinc/79/08/58/562790858.db2.gz OEDFDVPAQDUCBQ-UHFFFAOYSA-N 1 1 527.616 5.931 1 0 KKAFMO Cc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)[nH+]c1 ZINC000096170441 562791108 /nfs/dbraw/zinc/79/11/08/562791108.db2.gz RIZQPIAVLUBOQY-VAVYLYDRSA-N 1 1 539.507 6.020 1 0 KKAFMO c1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174121 562791693 /nfs/dbraw/zinc/79/16/93/562791693.db2.gz PHHDDLBCGRGYOL-RUZDIDTESA-N 1 1 500.606 6.097 1 0 KKAFMO COCCN1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(N6CC[NH+](C)CC6)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000096175773 562792011 /nfs/dbraw/zinc/79/20/11/562792011.db2.gz MGIAEOVHWGNHJW-UHFFFAOYSA-N 1 1 680.801 5.276 1 0 KKAFMO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000096177895 562792456 /nfs/dbraw/zinc/79/24/56/562792456.db2.gz OXHQSLVSULVZQB-LJAQVGFWSA-N 1 1 710.301 5.628 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c3ccccc3c2=O)cc1F ZINC000096270765 562793415 /nfs/dbraw/zinc/79/34/15/562793415.db2.gz YRIRNSUDWILAQP-UHFFFAOYSA-N 1 1 743.714 7.246 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(C(C)(C)C)nn5-c5cccc(N)c5)cc4)c3c2)CC1 ZINC000096273047 562794388 /nfs/dbraw/zinc/79/43/88/562794388.db2.gz SIXVDPYFTBZLMQ-UHFFFAOYSA-N 1 1 661.815 5.659 1 0 in-vitro KKAFMO CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)[nH+]cn2c1 ZINC000096284235 562795066 /nfs/dbraw/zinc/79/50/66/562795066.db2.gz MLFLJTCNQJZMTR-JOCHJYFZSA-N 1 1 506.006 6.442 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096285102 562795440 /nfs/dbraw/zinc/79/54/40/562795440.db2.gz YXNVRITWXLFAIM-UHFFFAOYSA-N 1 1 640.691 6.040 1 0 KKAFMO CC(C)[NH+]1CCN(C(=O)c2ccc(-c3cnc(N)c(S[C@@H](C)c4c(Cl)ccc(F)c4Cl)c3)cc2)CC1 ZINC000096285933 562795965 /nfs/dbraw/zinc/79/59/65/562795965.db2.gz FNDCIFUGROKUDX-KRWDZBQOSA-N 1 1 547.527 6.796 1 0 KKAFMO CCC(CC)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302067 562796280 /nfs/dbraw/zinc/79/62/80/562796280.db2.gz VGAHBVMCYNCLAQ-ABAVYFCKSA-N 1 1 574.785 6.417 1 0 KKAFMO COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@@H]2c4c(cc(OC)c(OC)c4-3)CCN2C)cc1 ZINC000096901084 562797000 /nfs/dbraw/zinc/79/70/00/562797000.db2.gz RRRBUQLZAIRJQZ-URLMMPGGSA-N 1 1 638.761 6.448 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000096902325 562797379 /nfs/dbraw/zinc/79/73/79/562797379.db2.gz CLWKFAZQUOWPKF-FMIZEBEXSA-N 1 1 644.765 5.482 1 0 KKAFMO COc1cccc(CN2CCN(C[C@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907753 562799181 /nfs/dbraw/zinc/79/91/81/562799181.db2.gz JIZBSLOZXTWCDC-NXNCUQCYSA-N 1 1 838.891 8.357 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907739 562799215 /nfs/dbraw/zinc/79/92/15/562799215.db2.gz DUMWFMFWWQGRCL-SBVPHTNJSA-N 1 1 664.644 7.035 1 0 KKAFMO COc1cccc(CN2CCN(C[C@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907754 562799229 /nfs/dbraw/zinc/79/92/29/562799229.db2.gz JIZBSLOZXTWCDC-RLNZFLKDSA-N 1 1 838.891 8.357 1 0 KKAFMO COc1cc(C(=O)N[C@H](C[N@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cccc(C)c1 ZINC000096910126 562799906 /nfs/dbraw/zinc/79/99/06/562799906.db2.gz QGXLLVWCXBDIQN-NEKDWFFYSA-N 1 1 517.670 5.467 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000096913899 562800473 /nfs/dbraw/zinc/80/04/73/562800473.db2.gz HECVVZXYSJTBSB-GDLZYMKVSA-N 1 1 552.671 6.169 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000096913899 562800474 /nfs/dbraw/zinc/80/04/74/562800474.db2.gz HECVVZXYSJTBSB-GDLZYMKVSA-N 1 1 552.671 6.169 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1F ZINC000096927185 562802626 /nfs/dbraw/zinc/80/26/26/562802626.db2.gz GQFDQOGJNMXMEO-UHFFFAOYSA-N 1 1 658.730 7.743 1 0 KKAFMO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932314 562803338 /nfs/dbraw/zinc/80/33/38/562803338.db2.gz ZZBMQJPKXZGYJG-UHFFFAOYSA-N 1 1 638.696 6.599 1 0 KKAFMO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)c(F)c3)c2)c(OC)c1 ZINC000096932307 562803356 /nfs/dbraw/zinc/80/33/56/562803356.db2.gz BSCKUVYZZOAMFB-UHFFFAOYSA-N 1 1 681.765 6.523 1 0 KKAFMO CC(=O)N1CCc2c(nc(C(C)C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076328 562806586 /nfs/dbraw/zinc/80/65/86/562806586.db2.gz WTMOGTVWLHRPPW-CSSKISATSA-N 1 1 582.793 6.516 1 0 KKAFMO COC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076194 562806612 /nfs/dbraw/zinc/80/66/12/562806612.db2.gz ZNLUHMXGJFCLOK-PKQPGRETSA-N 1 1 570.738 5.921 1 0 KKAFMO O[C@@H](COc1cccc2ncccc21)C[NH+]1CCN([C@@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101179001 562809662 /nfs/dbraw/zinc/80/96/62/562809662.db2.gz ISHQZWGKIWGKBX-CPESPADLSA-N 1 1 560.525 5.750 1 0 KKAFMO O[C@@H](COc1cccc2ncccc21)C[NH+]1CCN([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(Cl)Cl)CC1 ZINC000101178997 562809675 /nfs/dbraw/zinc/80/96/75/562809675.db2.gz ISHQZWGKIWGKBX-DBEBIPAYSA-N 1 1 560.525 5.750 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC2CCCCC2)CC1 ZINC000101193467 562809789 /nfs/dbraw/zinc/80/97/89/562809789.db2.gz VJGAZDSJPMZIDL-YHTXFFTCSA-N 1 1 553.795 6.979 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CC[NH+]([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000101193584 562809868 /nfs/dbraw/zinc/80/98/68/562809868.db2.gz HTVPBKMQDVVVRD-RXGYLRSASA-N 1 1 598.738 7.041 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193586 562809919 /nfs/dbraw/zinc/80/99/19/562809919.db2.gz QOMFGNPECFGGMF-UVKXFEEUSA-N 1 1 606.767 6.491 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624944 562811434 /nfs/dbraw/zinc/81/14/34/562811434.db2.gz KVGVPXHSSHDBTN-RXGYLRSASA-N 1 1 597.754 6.441 1 0 KKAFMO CN(C)CC[N@H+](C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696088 562811742 /nfs/dbraw/zinc/81/17/42/562811742.db2.gz FJLJGDFMQOLGRZ-UHFFFAOYSA-N 1 1 557.716 5.537 1 0 KKAFMO CN(C)CC[N@@H+](C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696088 562811743 /nfs/dbraw/zinc/81/17/43/562811743.db2.gz FJLJGDFMQOLGRZ-UHFFFAOYSA-N 1 1 557.716 5.537 1 0 KKAFMO CC[N@@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696213 562811833 /nfs/dbraw/zinc/81/18/33/562811833.db2.gz NTPDWLWNIDHMMF-JOCHJYFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CC[N@H+]1CCC[C@@H]1CNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696213 562811834 /nfs/dbraw/zinc/81/18/34/562811834.db2.gz NTPDWLWNIDHMMF-JOCHJYFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CCCCCC[C@H]1C[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)C[N@@H+](CCCc2ccccc2)C1 ZINC000101708433 562811984 /nfs/dbraw/zinc/81/19/84/562811984.db2.gz JKGWMMAVDYUWPT-FPNNDXFKSA-N 1 1 532.725 6.284 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 ZINC000102810391 562813354 /nfs/dbraw/zinc/81/33/54/562813354.db2.gz VCZCVYJHOFNALJ-QUMGSSFMSA-N 1 1 531.667 6.090 1 0 KKAFMO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135087 562814460 /nfs/dbraw/zinc/81/44/60/562814460.db2.gz SYXAHSDAHIOHSU-HSZRJFAPSA-N 1 1 545.481 5.824 1 0 KKAFMO C/C=C1/CN2CCc3c4ccccc4n4c3C(=CN3c5ccccc5[C@]56CC[N@H+]7C/C(=C/C)[C@H](C[C@H]75)C(=C4)[C@H]36)[C@H]1CC2=O ZINC000103150710 562814522 /nfs/dbraw/zinc/81/45/22/562814522.db2.gz OSKKNZHUYWQWKZ-NGDISOSNSA-N 1 1 566.749 6.368 1 0 KKAFMO CN(C)c1ccc([NH+]=C(NCCCCCCCCc2ccc(C(C)(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103211859 562816746 /nfs/dbraw/zinc/81/67/46/562816746.db2.gz KJINCUXNCFYZBS-UHFFFAOYSA-N 1 1 549.756 6.683 1 0 KKAFMO CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225470 562817727 /nfs/dbraw/zinc/81/77/27/562817727.db2.gz OWOZPIGYQRDQRB-QHCPKHFHSA-N 1 1 500.565 5.335 1 0 KKAFMO CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000103225470 562817728 /nfs/dbraw/zinc/81/77/28/562817728.db2.gz OWOZPIGYQRDQRB-QHCPKHFHSA-N 1 1 500.565 5.335 1 0 KKAFMO COC(=O)c1ccc([C@@]2(C(N)=O)C[C@H]3CC[C@@H](C2)[N@@H+]3C(c2ccccc2Cl)c2ccccc2Cl)nc1 ZINC000103225814 562817744 /nfs/dbraw/zinc/81/77/44/562817744.db2.gz MTPFOKXOZBMPJU-FYYHFJLLSA-N 1 1 524.448 5.315 1 0 KKAFMO NC(=O)[C@]1(c2ncc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227225 562817927 /nfs/dbraw/zinc/81/79/27/562817927.db2.gz APSCTLSVGWMNTN-KQESFQHQSA-N 1 1 502.392 5.806 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@]1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000103235741 562818721 /nfs/dbraw/zinc/81/87/21/562818721.db2.gz ICSKIEUWVASLGU-FLWJLJKUSA-N 1 1 583.604 7.788 1 0 KKAFMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)N[C@H]1C(=O)N(C2CCCCC2)[C@H]1/C=C/c1ccccc1 ZINC000103236292 562818883 /nfs/dbraw/zinc/81/88/83/562818883.db2.gz CNVXIDGNBVQOCB-AFBQBGCHSA-N 1 1 518.061 5.225 1 0 KKAFMO Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2[nH]c3ccccc3[nH+]2)c2ccc(Cl)cn2)c1 ZINC000103261154 562821325 /nfs/dbraw/zinc/82/13/25/562821325.db2.gz VOCAUMUELJMEHG-HHHXNRCGSA-N 1 1 558.938 7.586 1 0 KKAFMO Cc1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264951 562822061 /nfs/dbraw/zinc/82/20/61/562822061.db2.gz BMOJETYKOWBJNF-FREGXXQWSA-N 1 1 616.688 6.791 1 0 KKAFMO COC(=O)[C@@](CCC[N@@H+]1CC=C(c2ccccc2OC)CC1)(c1ccc(Br)cc1)C(C)C ZINC000103265090 562822073 /nfs/dbraw/zinc/82/20/73/562822073.db2.gz VJNSKFRRVHJJRE-HHHXNRCGSA-N 1 1 500.477 6.094 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cncc(CC[NH+]2CCCC2)c1 ZINC000114034142 562826963 /nfs/dbraw/zinc/82/69/63/562826963.db2.gz KNHCAYUAOOHYLU-UHFFFAOYSA-N 1 1 504.993 6.379 1 0 KKAFMO [NH3+][C@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114033803 562826986 /nfs/dbraw/zinc/82/69/86/562826986.db2.gz GSHUXKBVBPAPPF-KRWDZBQOSA-N 1 1 518.980 5.064 1 0 KKAFMO CO[C@@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037377 562827110 /nfs/dbraw/zinc/82/71/10/562827110.db2.gz UCTVEWRBYCEHHU-LZBANZJXSA-N 1 1 554.518 6.951 1 0 KKAFMO CO[C@@H]1CC[N@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037377 562827111 /nfs/dbraw/zinc/82/71/11/562827111.db2.gz UCTVEWRBYCEHHU-LZBANZJXSA-N 1 1 554.518 6.951 1 0 KKAFMO C[NH+](C)CCc1cccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)c1 ZINC000114038198 562827262 /nfs/dbraw/zinc/82/72/62/562827262.db2.gz YKIWOPZLJKEOKV-UHFFFAOYSA-N 1 1 504.005 6.840 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099581 562827621 /nfs/dbraw/zinc/82/76/21/562827621.db2.gz HZDMBSQXOULJJV-RUZDIDTESA-N 1 1 508.106 6.054 1 0 KKAFMO COc1cc(F)ccc1C[N@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100118 562827675 /nfs/dbraw/zinc/82/76/75/562827675.db2.gz LCIDHVYSTRBEEO-JOCHJYFZSA-N 1 1 519.057 5.546 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114100343 562827728 /nfs/dbraw/zinc/82/77/28/562827728.db2.gz JEGSASNANGFZSV-NDEPHWFRSA-N 1 1 524.105 5.432 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3c2ccn3C)CCO1 ZINC000114100343 562827729 /nfs/dbraw/zinc/82/77/29/562827729.db2.gz JEGSASNANGFZSV-NDEPHWFRSA-N 1 1 524.105 5.432 1 0 KKAFMO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[N@H+]4CC[C@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755819 562828434 /nfs/dbraw/zinc/82/84/34/562828434.db2.gz YFIAGILPWYUJOO-DEOSSOPVSA-N 1 1 551.651 5.101 1 0 KKAFMO O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC000114979144 562828569 /nfs/dbraw/zinc/82/85/69/562828569.db2.gz MPWIOTFPHONUMI-YTTGMZPUSA-N 1 1 594.221 5.612 1 0 KKAFMO Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)ncc2C1 ZINC000118390055 562830245 /nfs/dbraw/zinc/83/02/45/562830245.db2.gz CZZVNONIDUMKCY-UHFFFAOYSA-N 1 1 629.687 5.750 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789034 562830563 /nfs/dbraw/zinc/83/05/63/562830563.db2.gz JHUAOSPKENTLLI-FAWRFRPBSA-N 1 1 618.262 8.070 1 0 KKAFMO O=C1CCN(CC(c2ccccc2)c2ccccc2)C[C@@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885486 562831103 /nfs/dbraw/zinc/83/11/03/562831103.db2.gz IGFCCVGOXSJNQX-BHVANESWSA-N 1 1 558.766 6.369 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCOc2ccc(NC(=O)c3cccc4c3Oc3ccccc3O4)cc2)cc1OC ZINC000136814367 562831296 /nfs/dbraw/zinc/83/12/96/562831296.db2.gz MDEQINWCRXTCBU-UHFFFAOYSA-N 1 1 540.616 6.407 1 0 KKAFMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136003 562831750 /nfs/dbraw/zinc/83/17/50/562831750.db2.gz JBJSKPUOTJATRE-HSZRJFAPSA-N 1 1 509.931 5.291 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000138610384 562832061 /nfs/dbraw/zinc/83/20/61/562832061.db2.gz NHBFDSAAENLDDM-AKLOJVPLSA-N 1 1 570.605 6.705 1 0 KKAFMO Cc1cc2occ(CN3CC[NH+](Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c(=O)c2cc1C ZINC000140214805 562832978 /nfs/dbraw/zinc/83/29/78/562832978.db2.gz HBUDZKAZALTXNS-UHFFFAOYSA-N 1 1 545.605 6.690 1 0 KKAFMO C[C@H]1CCCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)C5CCCC5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140653008 562833229 /nfs/dbraw/zinc/83/32/29/562833229.db2.gz WSNSLJODPHJFTE-DHLKQENFSA-N 1 1 560.705 5.694 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4ccnn4[C@H]4CCC[N@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000144273651 562836042 /nfs/dbraw/zinc/83/60/42/562836042.db2.gz WGRUESGNZJBCSB-FQEVSTJZSA-N 1 1 518.641 5.138 1 0 KKAFMO CC[N@H+]1C[C@H](F)[C@H](CN(C(=O)[C@@H]2CCCO2)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2cccc(F)c2)C(C)(C)OC)C1 ZINC000144554565 562836411 /nfs/dbraw/zinc/83/64/11/562836411.db2.gz BXBCAGBSQBGQLP-FYYOVZQQSA-N 1 1 617.688 5.174 1 0 KKAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2C ZINC000144982569 562836822 /nfs/dbraw/zinc/83/68/22/562836822.db2.gz UYYCHKFCCDPBMQ-AFYCESQPSA-N 1 1 548.687 5.753 1 0 KKAFMO c1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000145595918 562837389 /nfs/dbraw/zinc/83/73/89/562837389.db2.gz NCTUCHODDIOXLS-SANMLTNESA-N 1 1 514.651 5.523 1 0 KKAFMO Cc1[nH]nc2ccc(C)c(-c3nc4c(c(N5CC[C@@H]([NH+](C)C)C5)n3)CN(c3cc(C(C)C)ccc3C)CC4)c21 ZINC000146981480 562838986 /nfs/dbraw/zinc/83/89/86/562838986.db2.gz STYOIONWJKZSGL-XMMPIXPASA-N 1 1 523.729 5.772 1 0 KKAFMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1 ZINC000147813298 562839757 /nfs/dbraw/zinc/83/97/57/562839757.db2.gz XBJRIEWZTJLRLL-JOCHJYFZSA-N 1 1 520.555 5.578 1 0 KKAFMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1 ZINC000147813298 562839758 /nfs/dbraw/zinc/83/97/58/562839758.db2.gz XBJRIEWZTJLRLL-JOCHJYFZSA-N 1 1 520.555 5.578 1 0 KKAFMO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC([N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)nc21 ZINC000148317990 562840998 /nfs/dbraw/zinc/84/09/98/562840998.db2.gz PONGYJPNYYJVAO-OYRHEFFESA-N 1 1 599.740 5.088 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000148451458 562841362 /nfs/dbraw/zinc/84/13/62/562841362.db2.gz ULWOQYXTZAOOPO-SVBPBHIXSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000148451458 562841363 /nfs/dbraw/zinc/84/13/63/562841363.db2.gz ULWOQYXTZAOOPO-SVBPBHIXSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(OC)c(C[N@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148614469 562841574 /nfs/dbraw/zinc/84/15/74/562841574.db2.gz MKFNPMPQCHBNBZ-NRFANRHFSA-N 1 1 517.066 5.025 1 0 KKAFMO CCN[C@H](Cc1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)OCC ZINC000150591088 562846183 /nfs/dbraw/zinc/84/61/83/562846183.db2.gz RVNHZAFMVUUHKQ-MRXNPFEDSA-N 1 1 832.980 5.687 1 0 KKAFMO C[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606245 562847854 /nfs/dbraw/zinc/84/78/54/562847854.db2.gz JCRAXGYBNYHQTK-NHZFLZHXSA-N 1 1 664.892 5.428 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612093 562848542 /nfs/dbraw/zinc/84/85/42/562848542.db2.gz OWUNWYFBVXAWFX-OASGAIJMSA-N 1 1 639.789 7.179 1 0 KKAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)nc12 ZINC000167092668 562850646 /nfs/dbraw/zinc/85/06/46/562850646.db2.gz GVCNADNWQCTCHW-UHFFFAOYSA-N 1 1 620.664 5.996 1 0 KKAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)nc12 ZINC000167092668 562850647 /nfs/dbraw/zinc/85/06/47/562850647.db2.gz GVCNADNWQCTCHW-UHFFFAOYSA-N 1 1 620.664 5.996 1 0 KKAFMO FC(F)(F)c1ccc2nc(C3CC[NH+](Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1 ZINC000167411816 562850816 /nfs/dbraw/zinc/85/08/16/562850816.db2.gz FMMWMJJSOQLEJW-UHFFFAOYSA-N 1 1 552.604 7.338 1 0 KKAFMO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1OC ZINC000169291602 562851931 /nfs/dbraw/zinc/85/19/31/562851931.db2.gz PWHGDVUYVPECPZ-NJDXOATJSA-N 1 1 538.732 6.278 1 0 KKAFMO COC[C@@H](C)[NH2+]Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306756 562853584 /nfs/dbraw/zinc/85/35/84/562853584.db2.gz GXPZFRYBPOFRID-LJQANCHMSA-N 1 1 566.705 5.086 1 0 KKAFMO Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(C[NH2+]C(C)C)cs2)c1 ZINC000169306760 562853603 /nfs/dbraw/zinc/85/36/03/562853603.db2.gz QSZQGDHXEWWXQQ-UHFFFAOYSA-N 1 1 536.679 5.460 1 0 KKAFMO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310150 562854691 /nfs/dbraw/zinc/85/46/91/562854691.db2.gz UWULGUFSFZJDEY-OXYPMYLPSA-N 1 1 580.685 5.231 1 0 KKAFMO COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)n1 ZINC000169310612 562854869 /nfs/dbraw/zinc/85/48/69/562854869.db2.gz SQVQPFVHUAQBBA-UHFFFAOYSA-N 1 1 580.133 5.241 1 0 KKAFMO O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCC[N@@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000169311275 562855091 /nfs/dbraw/zinc/85/50/91/562855091.db2.gz ILECMSXDFSLYHA-XOXLXNDPSA-N 1 1 786.030 5.226 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169312092 562855281 /nfs/dbraw/zinc/85/52/81/562855281.db2.gz AQBIPWHIWZFQLT-FGZHOGPDSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169312092 562855282 /nfs/dbraw/zinc/85/52/82/562855282.db2.gz AQBIPWHIWZFQLT-FGZHOGPDSA-N 1 1 554.638 6.039 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000169317498 562855989 /nfs/dbraw/zinc/85/59/89/562855989.db2.gz AJUAJKZVPJDBSA-RCZVLFRGSA-N 1 1 538.404 6.350 1 0 KKAFMO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3Cl)CC2)c1 ZINC000169321688 562856714 /nfs/dbraw/zinc/85/67/14/562856714.db2.gz XUANIYXVGNIRBE-UHFFFAOYSA-N 1 1 581.091 7.387 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000169323758 562857121 /nfs/dbraw/zinc/85/71/21/562857121.db2.gz OOMMEXIQQKTAPW-UHFFFAOYSA-N 1 1 570.076 6.585 1 0 KKAFMO CC(C)c1cccc2c1NC(=O)[C@@]21[NH2+][C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000169336867 562859884 /nfs/dbraw/zinc/85/98/84/562859884.db2.gz WFOIUZJENBHFHE-VPZGHRDASA-N 1 1 541.695 6.552 1 0 KKAFMO CCOC(=O)CCC(=O)Nc1ccccc1CCC[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346309 562861775 /nfs/dbraw/zinc/86/17/75/562861775.db2.gz RUNBAWHYLOCEIN-BOBPPRSMSA-N 1 1 504.671 5.365 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@H](O)CN(C)CCC[N@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000169349363 562862502 /nfs/dbraw/zinc/86/25/02/562862502.db2.gz DUVCBEMHQGRCPF-FXZOGHEHSA-N 1 1 578.835 5.167 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@H](O)CN(C)CCC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000169349363 562862503 /nfs/dbraw/zinc/86/25/03/562862503.db2.gz DUVCBEMHQGRCPF-FXZOGHEHSA-N 1 1 578.835 5.167 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2OC)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000169707552 562870061 /nfs/dbraw/zinc/87/00/61/562870061.db2.gz IOGNPABAZCILJZ-YKSBVNFPSA-N 1 1 663.097 5.463 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](CCc2ccccc2)C1=O ZINC000195449609 562871899 /nfs/dbraw/zinc/87/18/99/562871899.db2.gz LVWYTEIVGDGPOX-FQLXRVMXSA-N 1 1 538.688 5.701 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnc(C)n4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428283 562874499 /nfs/dbraw/zinc/87/44/99/562874499.db2.gz DSQJCJALPOUQLS-HSZRJFAPSA-N 1 1 514.678 5.308 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@@H]4CCC[N@@H+](Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430470 562874537 /nfs/dbraw/zinc/87/45/37/562874537.db2.gz MOISIFKTLSDCMP-AREMUKBSSA-N 1 1 548.695 5.791 1 0 KKAFMO Cn1cnc(-c2ccnc(Nc3cc4cc(C(=O)Nc5ccc6c(c5)CC[N@H+](C)CC6)[nH]c4c(Cl)c3)n2)c1 ZINC000205651530 562875617 /nfs/dbraw/zinc/87/56/17/562875617.db2.gz SEWYXDNVYRPGBZ-UHFFFAOYSA-N 1 1 527.032 5.038 1 0 KKAFMO CCOC(=O)C1CCC(C[N@@H+](Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000206131034 562876321 /nfs/dbraw/zinc/87/63/21/562876321.db2.gz IZGCNCMZPRQSKF-LPXOAACNSA-N 1 1 592.733 5.091 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718747 562876539 /nfs/dbraw/zinc/87/65/39/562876539.db2.gz IBBMVDZVJHYHGH-QHCPKHFHSA-N 1 1 564.082 7.308 1 0 KKAFMO CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000219359689 562878145 /nfs/dbraw/zinc/87/81/45/562878145.db2.gz KBMPAIAXPCAIHA-HXUWFJFHSA-N 1 1 534.035 6.272 1 0 KKAFMO COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(C[NH+]4CCOCC4)c3n2C)cc1 ZINC000248089993 562881637 /nfs/dbraw/zinc/88/16/37/562881637.db2.gz UYQJRDUPAQZFMI-UHFFFAOYSA-N 1 1 546.593 6.533 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638456 562882469 /nfs/dbraw/zinc/88/24/69/562882469.db2.gz RCIMAYJLHGXJSS-NAOGDZDTSA-N 1 1 509.137 5.127 1 0 KKAFMO CC(C)[C@H](CC(=O)[C@H]1Cc2ccc(O)cc2CN1)C[N@H+]1CC[C@@](C)(c2cccc(Br)c2)[C@@H](C)C1 ZINC000299826767 562883980 /nfs/dbraw/zinc/88/39/80/562883980.db2.gz DZFUHLKZDAXDNL-ZDGQEMPXSA-N 1 1 527.547 5.700 1 0 KKAFMO CCOC(=O)c1cc(-c2c3c(c(OC)c4c2CC[N@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)ccc1Cl ZINC000299829523 562884908 /nfs/dbraw/zinc/88/49/08/562884908.db2.gz VLSXZEYSWXJJST-RPBOFIJWSA-N 1 1 596.032 5.379 1 0 KKAFMO CCOC(=O)c1cc(-c2c3c(c(OC)c4c2CC[N@@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)ccc1Cl ZINC000299829523 562884909 /nfs/dbraw/zinc/88/49/09/562884909.db2.gz VLSXZEYSWXJJST-RPBOFIJWSA-N 1 1 596.032 5.379 1 0 KKAFMO C[C@@H]1N[C@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833143 562886115 /nfs/dbraw/zinc/88/61/15/562886115.db2.gz HSQBZWURRKNSMR-LGGPFLRQSA-N 1 1 509.698 5.959 1 0 KKAFMO FC(F)(F)c1cc(-n2cc(CN3CC[NH+](Cc4ccccc4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299837507 562887498 /nfs/dbraw/zinc/88/74/98/562887498.db2.gz OVQPKZYPHJKGAE-UHFFFAOYSA-N 1 1 520.481 5.171 1 0 KKAFMO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299855406 562891648 /nfs/dbraw/zinc/89/16/48/562891648.db2.gz DYNDXOFIDKOAGV-UHFFFAOYSA-N 1 1 587.493 6.081 1 0 KKAFMO CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)Nc1cc(C)cc[nH+]1 ZINC000299864184 562894039 /nfs/dbraw/zinc/89/40/39/562894039.db2.gz QRAZQEQUYOEZHI-HSZRJFAPSA-N 1 1 524.061 6.619 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299869482 562895305 /nfs/dbraw/zinc/89/53/05/562895305.db2.gz USINGHGVMDUYQA-LABVJWKOSA-N 1 1 573.693 5.172 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299869483 562895316 /nfs/dbraw/zinc/89/53/16/562895316.db2.gz USINGHGVMDUYQA-SVBGJNGRSA-N 1 1 573.693 5.172 1 0 KKAFMO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3[N@@H+](C)C[C@H]2c1ccccc1)OCO4 ZINC000473085186 562896941 /nfs/dbraw/zinc/89/69/41/562896941.db2.gz VOXGFSUNUJCBDG-UIOOFZCWSA-N 1 1 570.483 7.107 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2c(C=O)c(C)cc(Cl)c2O1 ZINC000473085467 562896962 /nfs/dbraw/zinc/89/69/62/562896962.db2.gz WSNOTOOAAHPYDR-HHHXNRCGSA-N 1 1 604.494 6.179 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(OC)ccc2O1 ZINC000473085554 562896992 /nfs/dbraw/zinc/89/69/92/562896992.db2.gz XUVUTNUZTQKSEA-NDEPHWFRSA-N 1 1 558.038 5.413 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NC(=O)Nc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088051 562897290 /nfs/dbraw/zinc/89/72/90/562897290.db2.gz HQTIHJAAPQTVCG-PMERELPUSA-N 1 1 564.686 5.806 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NC(=O)Nc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088051 562897291 /nfs/dbraw/zinc/89/72/91/562897291.db2.gz HQTIHJAAPQTVCG-PMERELPUSA-N 1 1 564.686 5.806 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3Cl)c(=O)n2C)cc1F ZINC000473088596 562897365 /nfs/dbraw/zinc/89/73/65/562897365.db2.gz ISZWBTOGMFFOKI-UHFFFAOYSA-N 1 1 689.188 5.895 1 0 KKAFMO O=S(=O)(c1ccc(-c2ccc3[nH+]ccc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)cc1)N1CCOCC1 ZINC000473089356 562897437 /nfs/dbraw/zinc/89/74/37/562897437.db2.gz LCCKTDARRGJWHX-UHFFFAOYSA-N 1 1 586.113 6.321 1 0 KKAFMO CN1CCN(S(=O)(=O)c2ccc(-c3ccc4c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)cc[nH+]c4c3)cc2)CC1 ZINC000473094014 562897838 /nfs/dbraw/zinc/89/78/38/562897838.db2.gz UWWZXZWAMAMKHE-UHFFFAOYSA-N 1 1 617.146 6.953 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 ZINC000473111603 562898630 /nfs/dbraw/zinc/89/86/30/562898630.db2.gz AQTIPNCIMOFYSH-SDUSCBPUSA-N 1 1 503.609 5.062 1 0 KKAFMO COc1cc2oc(-c3ccc(OCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114904 562899006 /nfs/dbraw/zinc/89/90/06/562899006.db2.gz PIWGCLAVDQQKGT-UHFFFAOYSA-N 1 1 544.648 5.073 1 0 KKAFMO CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)C[C@H](OCc2ccccc2)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129475 562900017 /nfs/dbraw/zinc/90/00/17/562900017.db2.gz HCEKERAQUTWNGZ-XIWYQXSXSA-N 1 1 599.791 7.996 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473134834 562900535 /nfs/dbraw/zinc/90/05/35/562900535.db2.gz IREVCLFNTSPJTR-XOSCKEEYSA-N 1 1 501.667 5.049 1 0 KKAFMO Cc1c(NC(=O)c2ccc(N(C)C)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CC[NH+](C)CC4)ccc3c21 ZINC000473136451 562901100 /nfs/dbraw/zinc/90/11/00/562901100.db2.gz RQOFQIPITSJVEP-UHFFFAOYSA-N 1 1 588.712 5.101 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 562902556 /nfs/dbraw/zinc/90/25/56/562902556.db2.gz FTSIBSIBBMRFMJ-OPXMRZJTSA-N 1 1 577.169 5.891 1 0 KKAFMO CCN(c1cc(-c2ccc(C[N@H+]3CCC[C@@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000473179732 562903437 /nfs/dbraw/zinc/90/34/37/562903437.db2.gz NYIQADRVZZYULE-GDLZYMKVSA-N 1 1 588.768 6.249 1 0 KKAFMO C[NH+](C)[C@H]1CC[C@H](CNc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473201100 562903820 /nfs/dbraw/zinc/90/38/20/562903820.db2.gz WCUMPWPVSHRFOL-UKIBZPOASA-N 1 1 512.481 6.461 1 0 KKAFMO O=C([O-])C[NH+]1CCC(c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215498 562904047 /nfs/dbraw/zinc/90/40/47/562904047.db2.gz SKCXZBWOEKNYLV-ZZFHCKFTSA-N 1 1 518.746 6.217 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000473243946 562904781 /nfs/dbraw/zinc/90/47/81/562904781.db2.gz FVOCMDWBLIDMCB-QFIPXVFZSA-N 1 1 516.690 6.471 1 0 KKAFMO CCN(c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000473245112 562904916 /nfs/dbraw/zinc/90/49/16/562904916.db2.gz VIAIEQMSVTZQEI-WXUXXXNLSA-N 1 1 613.851 5.155 1 0 KKAFMO CCOC(=O)CCCCCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608976 562905519 /nfs/dbraw/zinc/90/55/19/562905519.db2.gz NEUPPLFOBVIXPQ-JGCGQSQUSA-N 1 1 602.772 6.055 1 0 KKAFMO CCOC(=O)CCCCCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608976 562905520 /nfs/dbraw/zinc/90/55/20/562905520.db2.gz NEUPPLFOBVIXPQ-JGCGQSQUSA-N 1 1 602.772 6.055 1 0 KKAFMO CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)(C)C)ccc3C2)cc1 ZINC000474609996 562905788 /nfs/dbraw/zinc/90/57/88/562905788.db2.gz YSXOQVIXVIMTHG-UHFFFAOYSA-N 1 1 533.738 5.027 1 0 KKAFMO Cn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(C)c5c(-c5ccccc5)n4)CC3)nc(-c3ccccc3)c21 ZINC000653714836 562908435 /nfs/dbraw/zinc/90/84/35/562908435.db2.gz VPWKFXOYKNHDSJ-UHFFFAOYSA-N 1 1 626.808 8.418 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4ccc(OC(F)(F)F)cc4)nn3)cc1)CC2 ZINC000653717542 562908577 /nfs/dbraw/zinc/90/85/77/562908577.db2.gz PPKSHBCIGCDTAM-UHFFFAOYSA-N 1 1 554.569 5.363 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccccc3F)c2=O)cc1F ZINC000653723516 562908906 /nfs/dbraw/zinc/90/89/06/562908906.db2.gz IASVNFGRGZYSFE-UHFFFAOYSA-N 1 1 727.164 7.625 1 0 KKAFMO CN(c1ccc(OCC[NH+]2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653737741 562909864 /nfs/dbraw/zinc/90/98/64/562909864.db2.gz NDXKOVCFXNMDSY-UHFFFAOYSA-N 1 1 544.143 6.545 1 0 KKAFMO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[NH+](CCOCCO)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653752989 562910786 /nfs/dbraw/zinc/91/07/86/562910786.db2.gz YLOWBOQOLOGXTB-DEOSSOPVSA-N 1 1 593.732 5.268 1 0 KKAFMO CO[C@H]1CC[N@@H+](Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762404 562911452 /nfs/dbraw/zinc/91/14/52/562911452.db2.gz WYUKVGVZYSCCDJ-SANMLTNESA-N 1 1 559.066 5.584 1 0 KKAFMO CN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)cc2)CC1 ZINC000653786072 562912407 /nfs/dbraw/zinc/91/24/07/562912407.db2.gz JPSUCMIPAVEJSU-UHFFFAOYSA-N 1 1 520.012 5.557 1 0 KKAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1 ZINC000653795111 562912980 /nfs/dbraw/zinc/91/29/80/562912980.db2.gz IMTICVASEJSMDW-OAQYLSRUSA-N 1 1 530.576 5.107 1 0 KKAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2nnco2)cc1 ZINC000653795111 562912981 /nfs/dbraw/zinc/91/29/81/562912981.db2.gz IMTICVASEJSMDW-OAQYLSRUSA-N 1 1 530.576 5.107 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823877 562914344 /nfs/dbraw/zinc/91/43/44/562914344.db2.gz XCUHFBQSGFOCNR-IBGZPJMESA-N 1 1 590.559 7.403 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3Cl)nn2)cc1F ZINC000653895427 562917346 /nfs/dbraw/zinc/91/73/46/562917346.db2.gz IYLQROBNYWLPKN-UHFFFAOYSA-N 1 1 633.080 5.762 1 0 KKAFMO Cc1cc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nc(Nc2ccc(Br)cc2)n1 ZINC000653895809 562917377 /nfs/dbraw/zinc/91/73/77/562917377.db2.gz YCQZEBKTDINTQC-UHFFFAOYSA-N 1 1 509.839 5.819 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085507925 565132320 /nfs/dbraw/zinc/13/23/20/565132320.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085507925 565132325 /nfs/dbraw/zinc/13/23/25/565132325.db2.gz MYHQIVSWYXBWOC-URLMMPGGSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532205 565137635 /nfs/dbraw/zinc/13/76/35/565137635.db2.gz WWQAFEIKGOBHTG-FNUGPXMYSA-N 1 1 631.810 5.016 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCC3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532552 565137860 /nfs/dbraw/zinc/13/78/60/565137860.db2.gz KQTDFGGKAPHBAY-BRANVLFOSA-N 1 1 603.844 7.611 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CCCC(C)C)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532530 565137922 /nfs/dbraw/zinc/13/79/22/565137922.db2.gz GUIOJHIMIUQTSG-JFCXEZHISA-N 1 1 605.860 7.857 1 0 biogenic,in-vitro KKAFMO Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)[C@@H]3CCC[C@H]4CCc5[nH]ccc5[C@H]4C3)ccc2O)Cc2ccc[nH]2)cc[nH+]1 ZINC000085631935 565165978 /nfs/dbraw/zinc/16/59/78/565165978.db2.gz YKMWYLUDBUHKJB-JOQZFTRQSA-N 1 1 610.799 5.974 1 0 biogenic,in-vitro KKAFMO COc1ccc(C=O)cc1Oc1ccc(C[C@@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CC[N@@H+]2C)cc1 ZINC000085850886 565170369 /nfs/dbraw/zinc/17/03/69/565170369.db2.gz ZYINZEUJUZRZKV-MUUNZHRXSA-N 1 1 636.701 6.229 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000095913466 565182820 /nfs/dbraw/zinc/18/28/20/565182820.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 1 1 606.719 6.454 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)OCOc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000095913466 565182826 /nfs/dbraw/zinc/18/28/26/565182826.db2.gz OUVZTALNXQHCLW-WDYNHAJCSA-N 1 1 606.719 6.454 1 0 biogenic,in-vitro KKAFMO O=C1NCc2nc(Sc3ccc(F)cc3F)c(N3C[C@H]4C[C@@H]3C[N@H+]4C3CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026662177 581099568 /nfs/dbraw/zinc/09/95/68/581099568.db2.gz BVWOUNUDMYJKNG-IAGOWNOFSA-N 1 1 574.484 6.604 1 0 KKAFMO Cc1sc2c(cc(Cl)cc2Cl)c1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000001494078 561676458 /nfs/dbraw/zinc/67/64/58/561676458.db2.gz CDCONTWJOGMNAX-UHFFFAOYSA-N 1 1 507.468 5.275 1 0 KKAFMO O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000003940626 561689352 /nfs/dbraw/zinc/68/93/52/561689352.db2.gz VWBQUAMKHIBZSG-JGCGQSQUSA-N 1 1 622.854 5.442 1 0 KKAFMO Cc1cc2c([nH+]c1C)CCCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965568 561691540 /nfs/dbraw/zinc/69/15/40/561691540.db2.gz NHRUTWPZSPCVEX-HSZRJFAPSA-N 1 1 521.503 5.479 1 0 KKAFMO COc1ccc(CNc2nccc(-c3nc(C4CC[NH2+]CC4)[nH]c3-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004617901 561695107 /nfs/dbraw/zinc/69/51/07/561695107.db2.gz BAEFMUUEJBUVJL-UHFFFAOYSA-N 1 1 508.548 5.640 1 0 KKAFMO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCOc2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2)c(Cl)c1 ZINC000004963480 561695558 /nfs/dbraw/zinc/69/55/58/561695558.db2.gz RAJHPEZTXURJCC-UHFFFAOYSA-N 1 1 606.532 5.185 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586102 561705948 /nfs/dbraw/zinc/70/59/48/561705948.db2.gz GILJITCPTQRDDJ-SPOSYKFASA-N 1 1 603.084 8.229 3 0 KKAFMO c1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000008690093 561707658 /nfs/dbraw/zinc/70/76/58/561707658.db2.gz SDNPBPTXZWQBPW-TWXDRBSDSA-N 1 1 518.704 8.437 3 0 KKAFMO CC[C@@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435672 553960168 /nfs/dbraw/zinc/96/01/68/553960168.db2.gz REMYYYICRNOILH-VZPHFUHGSA-N 1 1 507.675 5.218 2 0 KKAFMO Cc1[nH]c(=O)c2c3c(ccc2c1CCC[NH+]1CCOCC1)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494047 561716757 /nfs/dbraw/zinc/71/67/57/561716757.db2.gz NQTQEWNBVNKQNH-UHFFFAOYSA-N 1 1 500.430 5.038 1 0 KKAFMO O=C(CNC(=O)OCc1ccccc1)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1 ZINC000013588328 561720955 /nfs/dbraw/zinc/72/09/55/561720955.db2.gz WJIZWWMYIHVOAM-NDEPHWFRSA-N 1 1 514.670 5.133 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000013661187 561723513 /nfs/dbraw/zinc/72/35/13/561723513.db2.gz PODNXBRQMKYVOI-QPPBQGQZSA-N 1 1 535.681 6.526 3 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781687 561729436 /nfs/dbraw/zinc/72/94/36/561729436.db2.gz GHSNSSFMFKJXPT-LJAQVGFWSA-N 1 1 542.786 6.143 1 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812902 561731762 /nfs/dbraw/zinc/73/17/62/561731762.db2.gz UOFOKNBGWSHUMG-HXUOFSJXSA-N 1 1 510.603 7.789 3 0 KKAFMO COc1ccc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000013813868 561731991 /nfs/dbraw/zinc/73/19/91/561731991.db2.gz KENWXTARKXNQII-DEOSSOPVSA-N 1 1 515.606 5.340 3 0 KKAFMO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013829991 561733220 /nfs/dbraw/zinc/73/32/20/561733220.db2.gz LIPXDRRTIGUPAP-AREMUKBSSA-N 1 1 523.540 5.930 1 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@@H+]3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl ZINC000013860006 561734427 /nfs/dbraw/zinc/73/44/27/561734427.db2.gz UFARQGNCEDRJRW-IBYOELKQSA-N 1 1 520.460 6.649 1 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@H+]3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl ZINC000013860006 561734429 /nfs/dbraw/zinc/73/44/29/561734429.db2.gz UFARQGNCEDRJRW-IBYOELKQSA-N 1 1 520.460 6.649 1 0 KKAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@H+](C)C[C@@H](O)c3cc4ccccc4o3)sc21 ZINC000014192244 561737673 /nfs/dbraw/zinc/73/76/73/561737673.db2.gz WQNORAHNWIBJOX-HSZRJFAPSA-N 1 1 536.053 5.095 1 0 KKAFMO Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](O)c3cc4ccccc4o3)sc21 ZINC000014192244 561737675 /nfs/dbraw/zinc/73/76/75/561737675.db2.gz WQNORAHNWIBJOX-HSZRJFAPSA-N 1 1 536.053 5.095 1 0 KKAFMO CCCCCc1ccc(CN(C(=[NH+]c2ccc(OC)cc2OC)C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255606 561738632 /nfs/dbraw/zinc/73/86/32/561738632.db2.gz ZKYRVPCHADANOH-DEOSSOPVSA-N 1 1 580.766 7.367 1 0 KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@H+]4CCC[C@H]4CO)cc3F)cc12 ZINC000014951149 561746032 /nfs/dbraw/zinc/74/60/32/561746032.db2.gz HRFLXDHXKFKMKT-FQEVSTJZSA-N 1 1 594.569 5.630 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CC[NH+](C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000014965444 561749597 /nfs/dbraw/zinc/74/95/97/561749597.db2.gz QQVSOFKHHODIKB-UHFFFAOYSA-N 1 1 628.730 5.960 1 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545863 561756166 /nfs/dbraw/zinc/75/61/66/561756166.db2.gz WDNBAIVCBMDRDB-SVBPBHIXSA-N 1 1 560.691 5.074 3 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000017577464 561756644 /nfs/dbraw/zinc/75/66/44/561756644.db2.gz PZIHXYQJOBGJEU-FDEXCQADSA-N 1 1 586.701 9.456 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000017577539 561756730 /nfs/dbraw/zinc/75/67/30/561756730.db2.gz KKIRKDBZBVQYSD-ANUHUJQCSA-N 1 1 575.752 8.829 3 0 KKAFMO COc1cc(OC)c2c(c1[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655025 561757783 /nfs/dbraw/zinc/75/77/83/561757783.db2.gz SVGCVFQVDCWGPY-HGLPBTONSA-N 1 1 585.789 6.531 1 0 KKAFMO COc1ccc([C@@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(OC)cc2)cc1 ZINC000017655105 561757944 /nfs/dbraw/zinc/75/79/44/561757944.db2.gz PBFJDRPERMLIIX-FTJBHMTQSA-N 1 1 547.648 5.016 1 0 KKAFMO O[C@H](CSCc1ccccc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022444456 561759075 /nfs/dbraw/zinc/75/90/75/561759075.db2.gz SVRLSZPXGSBDMH-LJAQVGFWSA-N 1 1 510.694 5.789 1 0 KKAFMO Cc1cncc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927055 561759833 /nfs/dbraw/zinc/75/98/33/561759833.db2.gz ZFUXAIFGGCQFFK-VXKWHMMOSA-N 1 1 502.625 5.479 1 0 KKAFMO Cc1cccc(O)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941899 561761207 /nfs/dbraw/zinc/76/12/07/561761207.db2.gz MUZZKZIHYIHBGE-SFTDATJTSA-N 1 1 503.609 5.481 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000025964452 561763019 /nfs/dbraw/zinc/76/30/19/561763019.db2.gz DKTFEUJGLCUSHM-IOGUJBTOSA-N 1 1 586.754 6.780 1 0 KKAFMO COc1c(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc21 ZINC000026173028 561770406 /nfs/dbraw/zinc/77/04/06/561770406.db2.gz LGTFCCLATINIEE-UHFFFAOYSA-N 1 1 565.339 6.250 1 0 KKAFMO CCCN(CCC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026184753 561772418 /nfs/dbraw/zinc/77/24/18/561772418.db2.gz MPHVSAOSKNRUSS-CZFRINIUSA-N 1 1 506.734 7.620 1 0 KKAFMO COc1ccc([C@@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SC(C)(C)C)cc1OC ZINC000026274513 561777925 /nfs/dbraw/zinc/77/79/25/561777925.db2.gz GINSMERMFDOMOV-MUUNZHRXSA-N 1 1 501.733 6.913 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2cccc(C(F)(F)F)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275245 561778084 /nfs/dbraw/zinc/77/80/84/561778084.db2.gz OTRHDMANIYRABG-UHFFFAOYSA-N 1 1 655.696 7.423 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2cccc(C(F)(F)F)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026275245 561778087 /nfs/dbraw/zinc/77/80/87/561778087.db2.gz OTRHDMANIYRABG-UHFFFAOYSA-N 1 1 655.696 7.423 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c(-c5ccccc5)c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026156805 561768289 /nfs/dbraw/zinc/76/82/89/561768289.db2.gz NEFZIEFFQVCRSS-QWWNLRCWSA-N 1 1 516.641 5.753 1 0 KKAFMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(N[C@H](Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12 ZINC000026469304 561790127 /nfs/dbraw/zinc/79/01/27/561790127.db2.gz SUONVKFDJJYYME-JOCIVYRRSA-N 1 1 665.798 7.101 1 0 KKAFMO CCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]cc(C(C)C)[nH+]1)C(C)C ZINC000026484228 561792262 /nfs/dbraw/zinc/79/22/62/561792262.db2.gz QGRGDPUQQAHWKX-JMZGFNRRSA-N 1 1 548.728 5.109 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccccc1 ZINC000026491532 561793366 /nfs/dbraw/zinc/79/33/66/561793366.db2.gz XGKYCEASROUNNF-UHFFFAOYSA-N 1 1 530.093 7.125 1 0 KKAFMO CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CC[NH+](CCn2cc(I)cn2)CC1 ZINC000026506140 561796625 /nfs/dbraw/zinc/79/66/25/561796625.db2.gz AGSMYKHBBRBZQU-UHFFFAOYSA-N 1 1 546.428 5.061 1 0 KKAFMO Cn1cc(Cc2cn(CC(=O)N(CCC[NH+]3CCN(C)CC3)Cc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000026578097 561802827 /nfs/dbraw/zinc/80/28/27/561802827.db2.gz UYBIRMFTNJZIJL-UHFFFAOYSA-N 1 1 728.338 5.986 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NCc5ccccn5)cc4)c3Cl)c2[nH+]1 ZINC000026579569 561804978 /nfs/dbraw/zinc/80/49/78/561804978.db2.gz QIZIETSDBZDUOK-QGOAFFKASA-N 1 1 711.650 6.612 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N5CCCC5)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026637810 561806107 /nfs/dbraw/zinc/80/61/07/561806107.db2.gz ZYVGRSMNLXINTB-LFIBNONCSA-N 1 1 660.602 6.181 1 0 KKAFMO O=C([O-])[C@@H](c1ccccc1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823837 561821616 /nfs/dbraw/zinc/82/16/16/561821616.db2.gz HIMJKDLIRVULLJ-OJDZSJEKSA-N 1 1 512.694 5.378 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026729833 561816692 /nfs/dbraw/zinc/81/66/92/561816692.db2.gz SSFSWVIFTITAGI-BESSAKRQSA-N 1 1 506.602 5.365 1 0 KKAFMO COc1c(C(C)(C)C)cc([C@@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836303 561824376 /nfs/dbraw/zinc/82/43/76/561824376.db2.gz WEGQVYKRFYKPBT-LJAQVGFWSA-N 1 1 556.769 5.994 1 0 KKAFMO CC(C)[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026842519 561825985 /nfs/dbraw/zinc/82/59/85/561825985.db2.gz IJZQNIBRFABISG-SSEXGKCCSA-N 1 1 570.796 6.469 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843714 561826139 /nfs/dbraw/zinc/82/61/39/561826139.db2.gz QRZABLVSQLMLCO-GDLZYMKVSA-N 1 1 723.337 6.798 1 0 KKAFMO COc1cc(OC)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026845891 561826489 /nfs/dbraw/zinc/82/64/89/561826489.db2.gz ANCRAJKTKYCZOD-HKBQPEDESA-N 1 1 625.597 5.291 1 0 KKAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(C(=O)[C@H](N)Cc4c[nH]c5ccccc45)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026936704 561827514 /nfs/dbraw/zinc/82/75/14/561827514.db2.gz PAHVPEPWQTXJBD-CWTKIQHKSA-N 1 1 689.688 5.268 1 0 KKAFMO CCC[N@@H+](CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@H]1CCc2c(O)cccc2C1 ZINC000026965656 561829927 /nfs/dbraw/zinc/82/99/27/561829927.db2.gz GUYDMNDOMIQYML-LJAQVGFWSA-N 1 1 713.856 7.992 1 0 KKAFMO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@@H+](CCCc3ccccc3)C[C@@H]2C)cc1 ZINC000026968501 561830206 /nfs/dbraw/zinc/83/02/06/561830206.db2.gz FBWUFLYPVWIVGR-OEYLZLLESA-N 1 1 527.753 6.294 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000026971456 561830463 /nfs/dbraw/zinc/83/04/63/561830463.db2.gz IKTCQXBLEMUSIF-HYBUGGRVSA-N 1 1 545.558 5.408 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)N[C@]12CCC(=O)[C@@H]3Oc4c5c(ccc4OCC4CC4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027092498 561837424 /nfs/dbraw/zinc/83/74/24/561837424.db2.gz NCTBMRDHRHPUBF-TVGHXLIYSA-N 1 1 559.106 5.099 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4nc(NC[C@H]5CCCO5)cc[nH+]4)cc3)o1)C(C)(C)CCC2(C)C ZINC000027187526 561842834 /nfs/dbraw/zinc/84/28/34/561842834.db2.gz GSGVGURZTOYHSG-SSEXGKCCSA-N 1 1 621.826 7.451 1 0 KKAFMO CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC[N@@H+](C)CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027191357 561843496 /nfs/dbraw/zinc/84/34/96/561843496.db2.gz LDCWRCFCYHTIGC-UHFFFAOYSA-N 1 1 580.666 7.019 1 0 KKAFMO O=C([O-])[C@H](CC1CC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083355 561835686 /nfs/dbraw/zinc/83/56/86/561835686.db2.gz BYTINRYNDVFJIV-AWCRTANDSA-N 1 1 529.750 5.882 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](C2CCCC2)C1=O ZINC000027199244 561844754 /nfs/dbraw/zinc/84/47/54/561844754.db2.gz KKFBTFCVHZOBSO-SHQCIBLASA-N 1 1 502.655 5.258 1 0 KKAFMO O=C(Cc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000027208137 561846433 /nfs/dbraw/zinc/84/64/33/561846433.db2.gz HHCJCDRJLOXERL-UHFFFAOYSA-N 1 1 510.461 5.024 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2)C1C(=O)OC ZINC000027209310 561846697 /nfs/dbraw/zinc/84/66/97/561846697.db2.gz BCRJYBZKKYLRPH-GTPRLXIXSA-N 1 1 644.600 6.138 1 0 KKAFMO C[N@@H+](CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323212 561853014 /nfs/dbraw/zinc/85/30/14/561853014.db2.gz OAXCAPTYJDLJCD-UHFFFAOYSA-N 1 1 510.487 6.872 1 0 KKAFMO CCCC[C@@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1-c1ccccc1C ZINC000027441981 561860823 /nfs/dbraw/zinc/86/08/23/561860823.db2.gz NHQNXUAJLTWRDQ-IRPSRAIASA-N 1 1 550.769 6.038 1 0 KKAFMO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517538 561861295 /nfs/dbraw/zinc/86/12/95/561861295.db2.gz SIRMQLLMKUZYMJ-XZWHSSHBSA-N 1 1 609.699 7.382 1 0 KKAFMO CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519603 561863108 /nfs/dbraw/zinc/86/31/08/561863108.db2.gz AGKOFSMXHVZNDI-NLJYJMBESA-N 1 1 627.918 6.555 1 0 KKAFMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)C[C@@H]1C ZINC000027520763 561863738 /nfs/dbraw/zinc/86/37/38/561863738.db2.gz CAZKDDQXONGRTE-ROUUACIJSA-N 1 1 543.461 6.169 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526620 561866401 /nfs/dbraw/zinc/86/64/01/561866401.db2.gz HXUMKMQRTFHLCC-LJAQVGFWSA-N 1 1 577.638 7.256 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)cc1F ZINC000027547128 561867079 /nfs/dbraw/zinc/86/70/79/561867079.db2.gz ZOBKHHUMXIJHCW-LJAQVGFWSA-N 1 1 567.677 5.564 1 0 KKAFMO COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547793 561867222 /nfs/dbraw/zinc/86/72/22/561867222.db2.gz LFRFMZVSPPXQJD-SSEXGKCCSA-N 1 1 514.691 6.782 1 0 KKAFMO COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547793 561867223 /nfs/dbraw/zinc/86/72/23/561867223.db2.gz LFRFMZVSPPXQJD-SSEXGKCCSA-N 1 1 514.691 6.782 1 0 KKAFMO CCOc1ccc(-c2nc3ccc(-c4nc5cc(N6CC[NH+](C)CC6)ccc5[nH]4)cc3[nH]2)cc1I ZINC000027548349 561867495 /nfs/dbraw/zinc/86/74/95/561867495.db2.gz UZLHHXZKHRNPOE-UHFFFAOYSA-N 1 1 578.458 5.528 1 0 KKAFMO CC[NH+](CC)CCCCCCCCCCCCNc1ccnc2cc(I)ccc21 ZINC000027551369 561868055 /nfs/dbraw/zinc/86/80/55/561868055.db2.gz BJVAGPVZXOXNPO-UHFFFAOYSA-N 1 1 509.520 7.494 1 0 KKAFMO COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552447 561868306 /nfs/dbraw/zinc/86/83/06/561868306.db2.gz FXOJKPLALHHTKM-JGCGQSQUSA-N 1 1 555.744 6.555 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552349 561868320 /nfs/dbraw/zinc/86/83/20/561868320.db2.gz RUYAQBZRWRWQHR-LJAQVGFWSA-N 1 1 515.679 6.608 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3C(=O)c3ccccc3)cc1)CC2 ZINC000027657015 561877946 /nfs/dbraw/zinc/87/79/46/561877946.db2.gz KZSWNDHPBHRMFS-UHFFFAOYSA-N 1 1 520.629 5.788 1 0 KKAFMO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)C(C)=O ZINC000027850912 561886103 /nfs/dbraw/zinc/88/61/03/561886103.db2.gz RMRCMPQTTCGZTG-PMERELPUSA-N 1 1 550.703 5.042 1 0 KKAFMO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)C(C)=O ZINC000027850912 561886104 /nfs/dbraw/zinc/88/61/04/561886104.db2.gz RMRCMPQTTCGZTG-PMERELPUSA-N 1 1 550.703 5.042 1 0 KKAFMO Clc1ccc2c(c1Cl)CN(CCCCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862038 561887108 /nfs/dbraw/zinc/88/71/08/561887108.db2.gz LTCRDAMONOLRGW-UHFFFAOYSA-N 1 1 500.341 7.667 1 0 KKAFMO Clc1ccc2c(c1Cl)CN(CCCCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027862038 561887109 /nfs/dbraw/zinc/88/71/09/561887109.db2.gz LTCRDAMONOLRGW-UHFFFAOYSA-N 1 1 500.341 7.667 1 0 KKAFMO CCN(CCCCC1CC[NH+](CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 ZINC000027884593 561889315 /nfs/dbraw/zinc/88/93/15/561889315.db2.gz MBPOELUZVMXXFK-UHFFFAOYSA-N 1 1 678.780 7.475 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(I)c3ccccc13)CC[N@@H+](Cc1ccccc1)C2 ZINC000027887916 561889666 /nfs/dbraw/zinc/88/96/66/561889666.db2.gz SDFHJRSALOHSMW-UHFFFAOYSA-N 1 1 524.427 5.877 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(I)c3ccccc13)CC[N@H+](Cc1ccccc1)C2 ZINC000027887916 561889668 /nfs/dbraw/zinc/88/96/68/561889668.db2.gz SDFHJRSALOHSMW-UHFFFAOYSA-N 1 1 524.427 5.877 1 0 KKAFMO CCN(CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 ZINC000027890057 561889825 /nfs/dbraw/zinc/88/98/25/561889825.db2.gz YGSXHXIKDSYAGK-UHFFFAOYSA-N 1 1 556.682 6.101 1 0 KKAFMO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017180 561897551 /nfs/dbraw/zinc/89/75/51/561897551.db2.gz UIXOOGQAQVUYHU-FWWQNHDYSA-N 1 1 658.903 7.740 1 0 KKAFMO CCc1cc(CCc2ccccc2)nn1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028016740 561897571 /nfs/dbraw/zinc/89/75/71/561897571.db2.gz CZTSJVHNDALIPA-BTLFPPEZSA-N 1 1 582.833 6.617 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028005899 561895496 /nfs/dbraw/zinc/89/54/96/561895496.db2.gz MVLFEXABAZSRER-KCTCJIHVSA-N 1 1 540.752 5.642 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006751 561895622 /nfs/dbraw/zinc/89/56/22/561895622.db2.gz AXEFQHJHLHVSPB-RZBJZMOUSA-N 1 1 613.605 7.451 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028007430 561895783 /nfs/dbraw/zinc/89/57/83/561895783.db2.gz PFQMJEOTSDKJES-RKKDRKJOSA-N 1 1 540.752 5.929 1 0 KKAFMO CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017739 561897744 /nfs/dbraw/zinc/89/77/44/561897744.db2.gz ZBCNRLKCRTZWSZ-NNYJQHGCSA-N 1 1 630.727 6.536 1 0 KKAFMO O=C(Cc1ccccc1)Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1 ZINC000028108076 561902678 /nfs/dbraw/zinc/90/26/78/561902678.db2.gz QJPSGDXCCOBLIC-XNMGPUDCSA-N 1 1 530.632 5.177 1 0 KKAFMO CCn1nc(Cc2ccccc2F)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088919 561899543 /nfs/dbraw/zinc/89/95/43/561899543.db2.gz AMEANAGWRYNMDA-SBAONXBNSA-N 1 1 578.748 6.166 1 0 KKAFMO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093198 561900398 /nfs/dbraw/zinc/90/03/98/561900398.db2.gz FQDAIOFBLYFMHL-DCLZWXHWSA-N 1 1 622.829 7.304 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000028124741 561904790 /nfs/dbraw/zinc/90/47/90/561904790.db2.gz DPIMUOJRFNNAHL-XZWHSSHBSA-N 1 1 584.727 6.615 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)C1 ZINC000028124733 561904804 /nfs/dbraw/zinc/90/48/04/561904804.db2.gz DPIMUOJRFNNAHL-LOYHVIPDSA-N 1 1 584.727 6.615 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)Nc2ccc(-c3ccccc3)cc2)C1)[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000028128393 561905304 /nfs/dbraw/zinc/90/53/04/561905304.db2.gz JTXBXFTVOCSXTB-JSOSNVBQSA-N 1 1 574.169 6.304 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(OC)cc1 ZINC000028133486 561906222 /nfs/dbraw/zinc/90/62/22/561906222.db2.gz MIRVXAPXRDRQMT-UHFFFAOYSA-N 1 1 538.850 8.287 1 0 KKAFMO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136650 561906686 /nfs/dbraw/zinc/90/66/86/561906686.db2.gz SXVLTSDSQOWRHK-VSGBNLITSA-N 1 1 569.190 5.308 1 0 KKAFMO C[N@H+]1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 ZINC000028372890 561918559 /nfs/dbraw/zinc/91/85/59/561918559.db2.gz IOOCNUDRIJJIAZ-DEOSSOPVSA-N 1 1 574.216 5.024 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028384429 561920799 /nfs/dbraw/zinc/92/07/99/561920799.db2.gz UEYNPXHRIVDTQZ-BHVANESWSA-N 1 1 659.787 5.586 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028386641 561921202 /nfs/dbraw/zinc/92/12/02/561921202.db2.gz SYHPRKMTOXGCJT-YTTGMZPUSA-N 1 1 688.623 5.195 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028386636 561921206 /nfs/dbraw/zinc/92/12/06/561921206.db2.gz SYHPRKMTOXGCJT-JGCGQSQUSA-N 1 1 688.623 5.195 1 0 KKAFMO CCCCOc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)CC3)nc(N)c2cc1OCCCC ZINC000028394560 561922942 /nfs/dbraw/zinc/92/29/42/561922942.db2.gz QJNWWZPODZKBSD-UHFFFAOYSA-N 1 1 589.762 5.748 1 0 KKAFMO Cc1cc(Cl)c2cc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)ccc2n1 ZINC000028455607 561923609 /nfs/dbraw/zinc/92/36/09/561923609.db2.gz AFMIYSIQIPKOSA-BHVANESWSA-N 1 1 709.247 5.942 1 0 KKAFMO CCc1c(C)nc2ccc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)cc2c1Cl ZINC000028456261 561923848 /nfs/dbraw/zinc/92/38/48/561923848.db2.gz ITVJGPQRNBWHLA-LHEWISCISA-N 1 1 737.301 6.505 1 0 KKAFMO COc1ccc(C[C@@H]2[C@H](OC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H](O)CN2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000028462278 561925509 /nfs/dbraw/zinc/92/55/09/561925509.db2.gz JTRGWAQDIPKDLT-FVIDNIPMSA-N 1 1 620.750 5.551 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cnnc2ccccc21 ZINC000028471833 561927115 /nfs/dbraw/zinc/92/71/15/561927115.db2.gz QNOFODRHUMZNBU-FQEVSTJZSA-N 1 1 512.485 5.043 1 0 KKAFMO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028474829 561927745 /nfs/dbraw/zinc/92/77/45/561927745.db2.gz WCKZXUZPEYGEII-SFTDATJTSA-N 1 1 525.524 6.209 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ccccc2c1 ZINC000028474822 561927770 /nfs/dbraw/zinc/92/77/70/561927770.db2.gz DKULALWWMCGWHM-JOCHJYFZSA-N 1 1 510.509 6.253 1 0 KKAFMO Cc1ccc(C[N@@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN2CCN(c3ccncc3)C2=O)cc1 ZINC000028475995 561928154 /nfs/dbraw/zinc/92/81/54/561928154.db2.gz WODLZXWJLATVAU-UHFFFAOYSA-N 1 1 541.095 6.534 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028477698 561928654 /nfs/dbraw/zinc/92/86/54/561928654.db2.gz VOOFRZVJPLENBV-IBGZPJMESA-N 1 1 525.480 5.288 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028477701 561928684 /nfs/dbraw/zinc/92/86/84/561928684.db2.gz VOOFRZVJPLENBV-LJQANCHMSA-N 1 1 525.480 5.288 1 0 KKAFMO O=S(=O)(c1ccc(Br)s1)n1cc([C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000028526554 561932210 /nfs/dbraw/zinc/93/22/10/561932210.db2.gz ZHYYDISGIDQJTN-SFHVURJKSA-N 1 1 501.471 5.692 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCCC[N@@H+](C)CCCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639248 561942554 /nfs/dbraw/zinc/94/25/54/561942554.db2.gz RTCSYCRCCXZAIT-WUKNDPDISA-N 1 1 645.790 6.204 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028639245 561942591 /nfs/dbraw/zinc/94/25/91/561942591.db2.gz XSJLCPGPJJOXCK-FMQUCBEESA-N 1 1 615.767 6.897 1 0 KKAFMO OC1(c2ccccc2)CC[NH+](C(c2ccccc2Br)c2ccccc2Br)CC1 ZINC000028708225 561950318 /nfs/dbraw/zinc/95/03/18/561950318.db2.gz SZRDKDPGVLBEJJ-UHFFFAOYSA-N 1 1 501.262 6.285 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702896 561947432 /nfs/dbraw/zinc/94/74/32/561947432.db2.gz DJZGCVPXKKXFCC-POGNPZRZSA-N 1 1 712.760 8.530 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702914 561947494 /nfs/dbraw/zinc/94/74/94/561947494.db2.gz QWNVTHCYECOXOH-JXWWNXESSA-N 1 1 713.748 7.925 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028703992 561948095 /nfs/dbraw/zinc/94/80/95/561948095.db2.gz UAKDPJAUOVRMIX-JVRHDVHHSA-N 1 1 550.587 7.206 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704016 561948103 /nfs/dbraw/zinc/94/81/03/561948103.db2.gz JZQUTVIGHZYROK-JBNUINKBSA-N 1 1 590.652 7.986 1 0 KKAFMO COC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704031 561948123 /nfs/dbraw/zinc/94/81/23/561948123.db2.gz BZZXSUHOLOFNJP-JEDUBMGFSA-N 1 1 580.613 6.832 1 0 KKAFMO COC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704036 561948142 /nfs/dbraw/zinc/94/81/42/561948142.db2.gz BZZXSUHOLOFNJP-JHYPHSFXSA-N 1 1 580.613 6.832 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@@](CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704076 561948276 /nfs/dbraw/zinc/94/82/76/561948276.db2.gz CDCVHCPYWPPPPI-LQDGZOJUSA-N 1 1 554.672 7.496 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NCCc3[nH]cc[nH+]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCCCC1 ZINC000028711883 561952417 /nfs/dbraw/zinc/95/24/17/561952417.db2.gz CVJTZQISSHZNGD-UHFFFAOYSA-N 1 1 586.784 8.178 1 0 KKAFMO CC[N@H+]1CCC[C@@H](CCn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2OC)C1 ZINC000028711912 561952426 /nfs/dbraw/zinc/95/24/26/561952426.db2.gz XLXKUHJSJAEFMA-NRFANRHFSA-N 1 1 502.058 6.515 1 0 KKAFMO Fc1ccc(C(OCC[N@@H+]2C[C@H]3C[C@@H](C2)N3C/C=C/c2ccc3ccccc3c2)c2ccc(F)cc2)cc1 ZINC000028713799 561954163 /nfs/dbraw/zinc/95/41/63/561954163.db2.gz XEDMXCZQRHSJSF-MHGGUPSASA-N 1 1 510.628 6.696 1 0 KKAFMO CC(=O)Nc1ccc(Cn2c3ccccc3c3c2[C@@H]2Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]52[C@@]4(O)C3)cc1 ZINC000028762569 561958443 /nfs/dbraw/zinc/95/84/43/561958443.db2.gz VTEOPMPNIMOFCE-OGICNVKRSA-N 1 1 561.682 5.053 1 0 KKAFMO OC1(c2ccc(Br)cc2)CC[NH+](Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822121 561966536 /nfs/dbraw/zinc/96/65/36/561966536.db2.gz SLOFYNKFMWLYJA-UHFFFAOYSA-N 1 1 565.733 6.928 1 0 KKAFMO Clc1ccc2c(NCCCCCCNc3nc(Cc4ccccc4)c(N4CCOCC4)o3)cc[nH+]c2c1 ZINC000028824121 561969021 /nfs/dbraw/zinc/96/90/21/561969021.db2.gz NWRRVIYLSGCPOW-UHFFFAOYSA-N 1 1 520.077 6.388 1 0 KKAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCC[N@H+]1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864207 561972817 /nfs/dbraw/zinc/97/28/17/561972817.db2.gz OVDCJBUZBMVLSU-MHZLTWQESA-N 1 1 620.144 5.040 1 0 KKAFMO COc1ccccc1[C@H](c1ccccc1)[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869852 561973873 /nfs/dbraw/zinc/97/38/73/561973873.db2.gz GUWMGLWQORYQFJ-PMERELPUSA-N 1 1 513.707 5.827 1 0 KKAFMO O=C(Nc1ccccc1C(=O)Nc1ccc(CC[N@H+]2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 ZINC000028877213 561975897 /nfs/dbraw/zinc/97/58/97/561975897.db2.gz JCKRZMGEVAGHHV-UHFFFAOYSA-N 1 1 526.640 6.340 1 0 in-vivo KKAFMO O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCCc1ccc(c(N3CCCC3)[nH+]1)CCCCn1cc2c2ccccc21 ZINC000028882018 561977084 /nfs/dbraw/zinc/97/70/84/561977084.db2.gz YFADCEWQWSRECW-UHFFFAOYSA-N 1 1 583.736 6.518 1 0 KKAFMO CN1CCN(C(=O)c2cc3c4ccccc4n(C[C@@H]4CC[N@@H+](C)C[C@H]4F)c3c(Oc3ccc(Cl)cc3)c2)CC1 ZINC000028889659 561978027 /nfs/dbraw/zinc/97/80/27/561978027.db2.gz MZINAXOPBUWVQD-KDYSTLNUSA-N 1 1 549.090 5.918 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccc2)n1C ZINC000028897636 561979396 /nfs/dbraw/zinc/97/93/96/561979396.db2.gz AZTSGCZWMJWVIL-UHFFFAOYSA-N 1 1 579.091 5.766 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CC[NH+](C)CC4)cc3)c3ccccc23)cc1 ZINC000028899794 561979665 /nfs/dbraw/zinc/97/96/65/561979665.db2.gz VFEHODIZKYENNZ-UHFFFAOYSA-N 1 1 586.784 7.690 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(OC)cc2F)CC1 ZINC000029043274 561991982 /nfs/dbraw/zinc/99/19/82/561991982.db2.gz NCLQWDCIPKHQBS-UNRZKBSHSA-N 1 1 572.165 6.295 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(Cl)cc2F)CC1 ZINC000029043364 561992069 /nfs/dbraw/zinc/99/20/69/561992069.db2.gz PWADIMGJQZHREF-GKRYNVPLSA-N 1 1 576.584 6.940 1 0 KKAFMO c1ccc(-c2cc3ccncc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029048929 561993765 /nfs/dbraw/zinc/99/37/65/561993765.db2.gz UHKBJJRMTMPHQL-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO c1ccc(-c2cc3ccncc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000029048929 561993768 /nfs/dbraw/zinc/99/37/68/561993768.db2.gz UHKBJJRMTMPHQL-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048895 561993834 /nfs/dbraw/zinc/99/38/34/561993834.db2.gz JMLWCBSCGWGRCK-DGPALRBDSA-N 1 1 525.052 6.279 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126961 561999151 /nfs/dbraw/zinc/99/91/51/561999151.db2.gz RCVHDPWYXTVRFR-QJJDOSOUSA-N 1 1 554.488 5.786 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CCc4ccc5oc(C(F)(F)F)nc5c4CC3)n2C)s1 ZINC000029127012 561999359 /nfs/dbraw/zinc/99/93/59/561999359.db2.gz AGHXSXMZVMLSGU-UHFFFAOYSA-N 1 1 522.622 5.298 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029127231 561999675 /nfs/dbraw/zinc/99/96/75/561999675.db2.gz RKDBVDKLNHXCIZ-UHFFFAOYSA-N 1 1 580.680 6.780 1 0 KKAFMO Cc1nc2cc3c(c(C)c2o1)CC[N@@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127363 561999759 /nfs/dbraw/zinc/99/97/59/561999759.db2.gz BFIAPIAYPVHYPQ-UHFFFAOYSA-N 1 1 526.710 6.070 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCCC[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127414 561999798 /nfs/dbraw/zinc/99/97/98/561999798.db2.gz JQVYPXIHEOFUGD-UHFFFAOYSA-N 1 1 554.764 5.676 1 0 KKAFMO CCc1nc2cc3c(c(C)c2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127468 561999822 /nfs/dbraw/zinc/99/98/22/561999822.db2.gz SVBOCVYSHIJYID-UHFFFAOYSA-N 1 1 526.710 5.934 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4ccc5nc(C(C)(F)F)oc5c4CC3)n2C)n1 ZINC000029127523 561999909 /nfs/dbraw/zinc/99/99/09/561999909.db2.gz IWYNZVSUMFYFCF-UHFFFAOYSA-N 1 1 548.663 6.175 1 0 KKAFMO COc1c(C)c(CCCCCC(=O)N(CCNc2cc[nH+]c3cc(Cl)ccc23)C(C)C)c(OC)c2ccccc21 ZINC000029135223 562004542 /nfs/dbraw/zinc/00/45/42/562004542.db2.gz KWRUNURAGQVNHB-UHFFFAOYSA-N 1 1 562.154 7.819 1 0 KKAFMO COc1ccc(C[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4n(C)c3C(C)C)cc2)cc1OC ZINC000029216458 562006654 /nfs/dbraw/zinc/00/66/54/562006654.db2.gz CMJRWSASBHPYNF-UHFFFAOYSA-N 1 1 550.721 6.053 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4n(C)c3C(C)C)cc2)cc1OC ZINC000029216458 562006655 /nfs/dbraw/zinc/00/66/55/562006655.db2.gz CMJRWSASBHPYNF-UHFFFAOYSA-N 1 1 550.721 6.053 1 0 KKAFMO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@@H]([NH3+])C(C)C)c1=O ZINC000029233828 562009527 /nfs/dbraw/zinc/00/95/27/562009527.db2.gz GBJKRPKDDDAEQA-DEOSSOPVSA-N 1 1 501.410 5.218 1 0 KKAFMO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@H+](C)CCc4ccccc4)n3c2=O)c1 ZINC000029473917 562026065 /nfs/dbraw/zinc/02/60/65/562026065.db2.gz SRDSQYNPSWUEFX-UHFFFAOYSA-N 1 1 566.721 6.639 1 0 KKAFMO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[N@@H+](C)CCc4ccccc4)n3c2=O)c1 ZINC000029473917 562026067 /nfs/dbraw/zinc/02/60/67/562026067.db2.gz SRDSQYNPSWUEFX-UHFFFAOYSA-N 1 1 566.721 6.639 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](Cc4ccccc4)[C@H]2N3Cc2ccccc2)cc1 ZINC000029544950 562029492 /nfs/dbraw/zinc/02/94/92/562029492.db2.gz VUWBYSXJTSFIKC-LRHLLKFHSA-N 1 1 531.700 7.931 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](Cc4ccccc4)[C@H]2N3Cc2ccccc2)cc1 ZINC000029544950 562029494 /nfs/dbraw/zinc/02/94/94/562029494.db2.gz VUWBYSXJTSFIKC-LRHLLKFHSA-N 1 1 531.700 7.931 1 0 KKAFMO Cc1oc2c(c1C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560610 562033083 /nfs/dbraw/zinc/03/30/83/562033083.db2.gz RAFQPUGTCFMNKH-DLKLHXKQSA-N 1 1 596.749 7.613 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029550178 562030836 /nfs/dbraw/zinc/03/08/36/562030836.db2.gz JXHBQZRXZKSNND-GDLZYMKVSA-N 1 1 550.677 5.404 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2c(OC)cccc2OC)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556189 562032058 /nfs/dbraw/zinc/03/20/58/562032058.db2.gz FOHPCRQSIZLSLN-LJAQVGFWSA-N 1 1 552.693 5.302 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2cc(OC)cc(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556633 562032220 /nfs/dbraw/zinc/03/22/20/562032220.db2.gz DYHQEOVEHIOOKX-GDLZYMKVSA-N 1 1 552.693 5.302 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563589 562033816 /nfs/dbraw/zinc/03/38/16/562033816.db2.gz HFVUTJSHZQSUHO-MUUNZHRXSA-N 1 1 552.718 5.814 1 0 KKAFMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000033865155 562037666 /nfs/dbraw/zinc/03/76/66/562037666.db2.gz LXABGYAXHNLPEO-OAQYLSRUSA-N 1 1 501.030 5.999 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)cc4)c3c2)o1 ZINC000034800114 562040869 /nfs/dbraw/zinc/04/08/69/562040869.db2.gz RZEMPBRXCDBLDH-UHFFFAOYSA-N 1 1 546.624 5.486 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 ZINC000034801077 562041158 /nfs/dbraw/zinc/04/11/58/562041158.db2.gz FFNDTETUPMNYNN-UHFFFAOYSA-N 1 1 531.941 5.620 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2cccc(Br)c2)[nH+]c2ccccn21 ZINC000035077616 562044733 /nfs/dbraw/zinc/04/47/33/562044733.db2.gz YAQHFYRHPZZWBG-UHFFFAOYSA-N 1 1 520.471 7.610 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3sccc3-c3ccccc3)c3ccccc32)CC1 ZINC000036089371 562046919 /nfs/dbraw/zinc/04/69/19/562046919.db2.gz VLPMRGUATFBEPH-UHFFFAOYSA-N 1 1 528.081 6.191 1 0 KKAFMO C[NH+]1CCN(C2=Nc3ccccc3N(NC(=O)c3ccccc3I)c3ccc(Cl)cc32)CC1 ZINC000036089499 562047080 /nfs/dbraw/zinc/04/70/80/562047080.db2.gz LSBNVDGHJXSXAB-UHFFFAOYSA-N 1 1 571.850 5.067 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000036177576 562049463 /nfs/dbraw/zinc/04/94/63/562049463.db2.gz HWNUEXICYPJHRL-UXBLZVDNSA-N 1 1 572.364 6.840 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Br)cc2)[nH+]c2ccccn21 ZINC000035419127 562045228 /nfs/dbraw/zinc/04/52/28/562045228.db2.gz TZWUVSMOPUAPTB-UHFFFAOYSA-N 1 1 520.471 7.610 1 0 KKAFMO c1csc(CNc2ccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)n1 ZINC000036241932 562052099 /nfs/dbraw/zinc/05/20/99/562052099.db2.gz QMUJWFWCDUXRJK-UHFFFAOYSA-N 1 1 512.687 5.630 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)cc1)c1ccc(F)cc1 ZINC000036338411 562057021 /nfs/dbraw/zinc/05/70/21/562057021.db2.gz JUFZAZPBSPFLIO-OZXSUGGESA-N 1 1 534.595 5.387 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351477 562058336 /nfs/dbraw/zinc/05/83/36/562058336.db2.gz CZSUCMAQMLGPBX-CONSDPRKSA-N 1 1 627.151 6.931 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC000036351478 562058354 /nfs/dbraw/zinc/05/83/54/562058354.db2.gz DPIMUOJRFNNAHL-IHLOFXLRSA-N 1 1 584.727 6.615 1 0 KKAFMO CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000036351496 562058486 /nfs/dbraw/zinc/05/84/86/562058486.db2.gz TYCHPBQYNABPSC-KYJUHHDHSA-N 1 1 590.690 6.161 1 0 KKAFMO CC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351507 562058532 /nfs/dbraw/zinc/05/85/32/562058532.db2.gz MPNTZIOEROTOBG-WOEHHYBBSA-N 1 1 542.099 5.029 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc5c(N)noc5c4)C[C@H]23)CC1 ZINC000036351577 562058735 /nfs/dbraw/zinc/05/87/35/562058735.db2.gz XLHNDXFCDIKZCH-MBEZDYHHSA-N 1 1 574.623 5.160 1 0 KKAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NCCC[NH+]3CCOCC3)ncc2c1 ZINC000036758599 562061413 /nfs/dbraw/zinc/06/14/13/562061413.db2.gz PNPBIVBXLHZEEY-UHFFFAOYSA-N 1 1 563.624 6.319 1 0 KKAFMO Cc1ccccc1/C=C/C[N@@H+]1C[C@H](C)[C@@]2(c3cccc(O)c3)C[C@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@H]1C2 ZINC000038147753 562065542 /nfs/dbraw/zinc/06/55/42/562065542.db2.gz ADQGIQSGEOKLRL-RAGWYKPHSA-N 1 1 548.771 7.153 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccsc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147755 562065546 /nfs/dbraw/zinc/06/55/46/562065546.db2.gz YVEPUFDZPRBZKX-POBAWSAGSA-N 1 1 542.789 6.825 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147764 562065568 /nfs/dbraw/zinc/06/55/68/562065568.db2.gz RAZMIDKOXTUBLK-XALKRQMTSA-N 1 1 564.814 7.544 1 0 KKAFMO CC(C)CC[N@@H+]1[C@@H](C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)OC(C)(C)C)CCC[C@@H]1C ZINC000038150641 562066435 /nfs/dbraw/zinc/06/64/35/562066435.db2.gz KQBOOGKXOGILHG-MXSCXNJPSA-N 1 1 536.713 5.564 1 0 KKAFMO CC(C)CC[N@H+]1CCC[C@@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150648 562066460 /nfs/dbraw/zinc/06/64/60/562066460.db2.gz SIZIBPAHPIUMOL-UIUQJESISA-N 1 1 536.713 5.421 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152419 562067270 /nfs/dbraw/zinc/06/72/70/562067270.db2.gz HBMQRAUFUVCBQD-UFCSOYEJSA-N 1 1 575.775 5.388 1 0 KKAFMO Fc1cc2[nH]c(C(c3ccc(-c4cncnc4)cc3)=C3CC[NH+](CC4CC4)CC3)nc2cc1C(F)(F)F ZINC000038157853 562069591 /nfs/dbraw/zinc/06/95/91/562069591.db2.gz XKXIPIIMLKOLPF-UHFFFAOYSA-N 1 1 507.535 6.486 1 0 KKAFMO Cc1cc(NC(=O)C[NH+]2CCCCC2)c2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 ZINC000040395824 562074567 /nfs/dbraw/zinc/07/45/67/562074567.db2.gz LDGNUMXYUMBQMP-UHFFFAOYSA-N 1 1 519.955 5.706 1 0 KKAFMO CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(NCCO)c(N)[nH+]2)cc1 ZINC000038246362 562070653 /nfs/dbraw/zinc/07/06/53/562070653.db2.gz JUOGTZUVNDFPCE-UHFFFAOYSA-N 1 1 505.062 6.474 1 0 KKAFMO C[NH+]1CCN(CCCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000038377662 562071633 /nfs/dbraw/zinc/07/16/33/562071633.db2.gz MUHZTXDQFRVJAS-LJAQVGFWSA-N 1 1 706.456 5.938 1 0 KKAFMO CCC[N@H+]1CCc2cc(OC)c(OCc3ccccc3)cc2[C@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845991 562080264 /nfs/dbraw/zinc/08/02/64/562080264.db2.gz NYESNMHWIMDRIF-JGCGQSQUSA-N 1 1 507.674 7.405 1 0 KKAFMO CCC[N@H+]1CCc2cc(OC)c(OCc3ccccc3)cc2[C@@H]1Cc1ccc(OCc2ccccc2)cc1 ZINC000040845989 562080315 /nfs/dbraw/zinc/08/03/15/562080315.db2.gz NYESNMHWIMDRIF-YTTGMZPUSA-N 1 1 507.674 7.405 1 0 KKAFMO O=C(NC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl)C1CC1 ZINC000040875449 562081993 /nfs/dbraw/zinc/08/19/93/562081993.db2.gz IQKRJMYITRFRAP-ONCRSHKTSA-N 1 1 505.489 7.131 1 0 KKAFMO COC(=O)[C@@](CCC[N@@H+](C)CCCc1nc2cc(OC)ccc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082619 /nfs/dbraw/zinc/08/26/19/562082619.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 1 1 530.507 5.746 1 0 KKAFMO COC(=O)[C@@](CCC[N@H+](C)CCCc1nc2ccc(OC)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082621 /nfs/dbraw/zinc/08/26/21/562082621.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 1 1 530.507 5.746 1 0 KKAFMO COC(=O)[C@@](CCC[N@@H+](C)CCCc1nc2ccc(OC)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880608 562082623 /nfs/dbraw/zinc/08/26/23/562082623.db2.gz FHNVQVDXVFHHAO-HHHXNRCGSA-N 1 1 530.507 5.746 1 0 KKAFMO C[N@H+](CCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040893343 562082908 /nfs/dbraw/zinc/08/29/08/562082908.db2.gz OYHKEVDVHJCFKU-UHFFFAOYSA-N 1 1 507.600 5.879 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCCC1 ZINC000040951819 562086120 /nfs/dbraw/zinc/08/61/20/562086120.db2.gz KIMKESVEZODZRF-UPVQGACJSA-N 1 1 526.690 6.012 1 0 KKAFMO COc1cc2nccc(C[N@@H+]3CCc4c(cccc4C(=O)Nc4ccc(C(C)(C)C)cc4)C3)c2cc1OC ZINC000040956033 562086547 /nfs/dbraw/zinc/08/65/47/562086547.db2.gz ZCWVUXPDHXDPGX-UHFFFAOYSA-N 1 1 509.650 6.360 1 0 KKAFMO COc1cc2nccc(C[N@H+]3CCc4c(cccc4C(=O)Nc4ccc(C(C)(C)C)cc4)C3)c2cc1OC ZINC000040956033 562086548 /nfs/dbraw/zinc/08/65/48/562086548.db2.gz ZCWVUXPDHXDPGX-UHFFFAOYSA-N 1 1 509.650 6.360 1 0 KKAFMO C=CC(=O)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974824 562087070 /nfs/dbraw/zinc/08/70/70/562087070.db2.gz ABVNRCMHGLYMGT-SSEXGKCCSA-N 1 1 519.636 5.971 1 0 KKAFMO CC(=O)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040975804 562087201 /nfs/dbraw/zinc/08/72/01/562087201.db2.gz BOLNQVYXWUWJJK-SSEXGKCCSA-N 1 1 507.625 5.805 1 0 KKAFMO CCC(=O)O[C@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040976246 562087227 /nfs/dbraw/zinc/08/72/27/562087227.db2.gz RHRXILJKQSDOMT-SSEXGKCCSA-N 1 1 521.652 6.195 1 0 KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532291 560072826 /nfs/dbraw/zinc/07/28/26/560072826.db2.gz FATNPLVJZXRSKC-PWIYQFHYSA-N 1 1 599.812 7.071 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCC[N@H+]2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(CO)=C2OC)[C@H]4C)c1 ZINC000085532440 560072841 /nfs/dbraw/zinc/07/28/41/560072841.db2.gz DNJWWMARGYGXRV-DHBJIFIXSA-N 1 1 591.789 5.974 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532413 560072870 /nfs/dbraw/zinc/07/28/70/560072870.db2.gz KQBPWRJCTAAHJI-WALNCYHXSA-N 1 1 587.801 7.049 1 0 biogenic,in-vitro KKAFMO CC(=O)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000043063438 562645241 /nfs/dbraw/zinc/64/52/41/562645241.db2.gz HQPISMGZXLHBTG-PKZQBKLLSA-N 1 1 560.774 5.129 1 0 KKAFMO CC(=O)N(C[C@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000043063438 562645242 /nfs/dbraw/zinc/64/52/42/562645242.db2.gz HQPISMGZXLHBTG-PKZQBKLLSA-N 1 1 560.774 5.129 1 0 KKAFMO COc1cc2c(cc1OCCCCN1CC[NH+](CCCCN3C(=O)c4cccc5cccc(c54)C3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000043103414 562645982 /nfs/dbraw/zinc/64/59/82/562645982.db2.gz VWEVKSRTTAUEOH-MHZLTWQESA-N 1 1 637.781 5.022 1 0 KKAFMO O=C(/C=C/C[N@H+]1CCCOCC1)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1 ZINC000043203721 562647025 /nfs/dbraw/zinc/64/70/25/562647025.db2.gz IXUDUNWMTNELOE-GORDUTHDSA-N 1 1 532.497 5.295 1 0 KKAFMO O=C1c2ccccc2S[C@H](c2c(Cl)cccc2Cl)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000043543917 562649541 /nfs/dbraw/zinc/64/95/41/562649541.db2.gz IFDQMQAZGNHOSA-HHHXNRCGSA-N 1 1 542.919 8.334 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544029 562649594 /nfs/dbraw/zinc/64/95/94/562649594.db2.gz DSQXPFNDAOHWMU-NNUTVPELSA-N 1 1 577.773 6.722 1 0 KKAFMO CCc1c(C)c2[nH]c1=Cc1[nH]c(c(CC)c1CC)C=c1[nH]c(c(C)c1CC)=CC1=[NH+]C(=C(c3ccccc3)[C@@H]3C=CC(=N3)C=2)C=C1 ZINC000044053339 562651974 /nfs/dbraw/zinc/65/19/74/562651974.db2.gz INLCMQQTJHFEPY-DQLHWQBXSA-N 1 1 605.830 5.871 1 0 KKAFMO O=C1[C@@H]2CCCCCCN2[C@@H]2[C@]13C[N@@H+]1CC[C@H]3C(c3nccc4c5cc(O)ccc5[nH]c43)=C[C@@]2(O)CC/C=C\CCCC1 ZINC000044280275 562652850 /nfs/dbraw/zinc/65/28/50/562652850.db2.gz VBDZCMDPJQQKOS-GMGIBDNWSA-N 1 1 580.773 5.964 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2 ZINC000044281452 562653106 /nfs/dbraw/zinc/65/31/06/562653106.db2.gz KDWOPADIGXTVPB-BZLZRHATSA-N 1 1 562.751 5.253 1 0 KKAFMO C[C@@H]1C[N@H+](CCCc2nc3cc(-c4ncccc4C(F)(F)F)ccc3c(Nc3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000044281578 562653149 /nfs/dbraw/zinc/65/31/49/562653149.db2.gz SZVWUSQUZGMZCK-KDURUIRLSA-N 1 1 589.584 7.515 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3N(C)C[C@@H]3CCC[N@@H+]3CC(C)C)ncn2)s1 ZINC000044305714 562653533 /nfs/dbraw/zinc/65/35/33/562653533.db2.gz JYMCZJUIPAODTN-NRFANRHFSA-N 1 1 598.695 7.079 1 0 KKAFMO COc1ccc2c3c1O[C@H]1c4c(c5c6c(ccc5C(F)(F)F)CCCn64)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000044351379 562654641 /nfs/dbraw/zinc/65/46/41/562654641.db2.gz SDHVXCJESUGXLK-RYCXQYRLSA-N 1 1 536.594 5.314 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000044405361 562656668 /nfs/dbraw/zinc/65/66/68/562656668.db2.gz GMZOGMORLAJOAZ-INOCPDNRSA-N 1 1 530.709 5.894 1 0 KKAFMO CCC[N@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC(C)C)c2)C1 ZINC000044417798 562657209 /nfs/dbraw/zinc/65/72/09/562657209.db2.gz LLJQAOJWAQJFPC-UHFFFAOYSA-N 1 1 543.647 5.969 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3cc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)o2)CC1 ZINC000044418656 562657351 /nfs/dbraw/zinc/65/73/51/562657351.db2.gz MFBTVPWNHQVGPL-UHFFFAOYSA-N 1 1 564.086 6.814 1 0 KKAFMO O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccncc34)CC2)CC1 ZINC000045188933 562658333 /nfs/dbraw/zinc/65/83/33/562658333.db2.gz GUUVZAGGNNOHMN-XBXARRHUSA-N 1 1 511.497 6.438 1 0 KKAFMO COc1cccc([C@@H]2CCC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000045191161 562658535 /nfs/dbraw/zinc/65/85/35/562658535.db2.gz MLJFSDZNUOCAJI-RUZDIDTESA-N 1 1 520.073 5.991 1 0 KKAFMO O=C(NCCC[NH+]1CCOCC1)c1cccc(Nc2nccc(Nc3ccc(Oc4ccccc4)cc3)n2)c1 ZINC000045190776 562658538 /nfs/dbraw/zinc/65/85/38/562658538.db2.gz RGDJRIFMXHLNBX-UHFFFAOYSA-N 1 1 524.625 5.208 1 0 KKAFMO Cc1cc(C(=O)Nc2ccc3c(ccn3[C@@H]3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192987 562658714 /nfs/dbraw/zinc/65/87/14/562658714.db2.gz REMGAUDCEZSMLC-JOCHJYFZSA-N 1 1 514.523 6.575 1 0 KKAFMO COc1ccc(C[N@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000045193977 562658737 /nfs/dbraw/zinc/65/87/37/562658737.db2.gz YFCIETOSZVTIMA-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO COc1ccc(CN2CCC[N@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000045193977 562658738 /nfs/dbraw/zinc/65/87/38/562658738.db2.gz YFCIETOSZVTIMA-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO COc1ccc(CN2CCC[N@@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1 ZINC000045193977 562658739 /nfs/dbraw/zinc/65/87/39/562658739.db2.gz YFCIETOSZVTIMA-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO O=C(NC1CCC(CC[N@H+]2CCc3ccc(-c4cnccn4)cc3CC2)CC1)c1cccc(-n2cccn2)c1 ZINC000045194424 562658793 /nfs/dbraw/zinc/65/87/93/562658793.db2.gz IDMNMVGWXAIOQD-UHFFFAOYSA-N 1 1 520.681 5.109 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)s3)cc2)c1 ZINC000045201057 562658972 /nfs/dbraw/zinc/65/89/72/562658972.db2.gz LNGQTQJNQIXADS-UHFFFAOYSA-N 1 1 508.622 7.659 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5cccc(C)c5[nH]4)s3)c2)c1 ZINC000045201639 562659034 /nfs/dbraw/zinc/65/90/34/562659034.db2.gz ZWQFHZZYEGYMJB-UHFFFAOYSA-N 1 1 504.659 7.828 1 0 KKAFMO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CCN(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045202284 562659136 /nfs/dbraw/zinc/65/91/36/562659136.db2.gz ZBDZEYAECHAHIP-NDEPHWFRSA-N 1 1 528.697 6.130 1 0 KKAFMO O=C(NCc1ccccn1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045211434 562659337 /nfs/dbraw/zinc/65/93/37/562659337.db2.gz ZNKBXKUQVCYCOP-YTTGMZPUSA-N 1 1 516.645 5.593 1 0 KKAFMO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045227508 562659448 /nfs/dbraw/zinc/65/94/48/562659448.db2.gz NVRNQHZXZBJFCW-UHFFFAOYSA-N 1 1 516.955 5.561 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4ccccc4F)CC2)CC3)on1 ZINC000045231324 562659690 /nfs/dbraw/zinc/65/96/90/562659690.db2.gz NMXJVMVLGRCFHO-JLHYYAGUSA-N 1 1 501.646 5.968 1 0 KKAFMO C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc13 ZINC000045259630 562660014 /nfs/dbraw/zinc/66/00/14/562660014.db2.gz PNKGWKXKIPIROR-BGWNEDDSSA-N 1 1 501.412 5.623 1 0 in-vivo KKAFMO Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](CC2CC2)CC4)cc1 ZINC000045261788 562660069 /nfs/dbraw/zinc/66/00/69/562660069.db2.gz JVNZGKUQEQMIMB-WYMJOSIYSA-N 1 1 512.479 6.372 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CN5CCN(c6cc[nH+]cc6)CC5)c4)cc3)nc2c1 ZINC000045334516 562661294 /nfs/dbraw/zinc/66/12/94/562661294.db2.gz UHBKHVADSVTRRB-UHFFFAOYSA-N 1 1 513.567 6.633 1 0 KKAFMO CS(=O)(=O)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045335519 562661404 /nfs/dbraw/zinc/66/14/04/562661404.db2.gz BICGDHPZYSFRLM-SBUREZEXSA-N 1 1 516.922 5.182 1 0 KKAFMO C[C@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338443 562661467 /nfs/dbraw/zinc/66/14/67/562661467.db2.gz FZYZAZVPXUZVPL-QINZWAKZSA-N 1 1 530.112 5.657 1 0 KKAFMO COc1ccc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338301 562661481 /nfs/dbraw/zinc/66/14/81/562661481.db2.gz JVWHWSLDYNLZMV-PMERELPUSA-N 1 1 520.073 5.069 1 0 KKAFMO COc1ccc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045338301 562661482 /nfs/dbraw/zinc/66/14/82/562661482.db2.gz JVWHWSLDYNLZMV-PMERELPUSA-N 1 1 520.073 5.069 1 0 KKAFMO CCCCCc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045371133 562662250 /nfs/dbraw/zinc/66/22/50/562662250.db2.gz FVWQJVUVKIKRPL-UHFFFAOYSA-N 1 1 525.737 8.888 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000045371750 562662262 /nfs/dbraw/zinc/66/22/62/562662262.db2.gz AGDOTHDBWYNHAX-UHFFFAOYSA-N 1 1 536.742 5.027 1 0 KKAFMO Cc1[nH+]ccn1CCCCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000045495543 562662607 /nfs/dbraw/zinc/66/26/07/562662607.db2.gz ZAFKNKCSHJBEFA-UHFFFAOYSA-N 1 1 502.080 5.271 1 0 KKAFMO CC(C)(CNC(=O)C1CC[NH+](CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000048307310 562662933 /nfs/dbraw/zinc/66/29/33/562662933.db2.gz IGIQWYQARIIWKF-UHFFFAOYSA-N 1 1 550.147 6.184 1 0 KKAFMO C[C@H](CNC(=O)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604944 562665141 /nfs/dbraw/zinc/66/51/41/562665141.db2.gz NNNAYENYEMNISJ-QYTMHSNXSA-N 1 1 543.711 6.801 1 0 KKAFMO O=C(/C=C/c1ccccc1)NCCC[C@@H]1CCC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049605123 562665415 /nfs/dbraw/zinc/66/54/15/562665415.db2.gz MTIBFGQHSSIDCG-BAKYTSDKSA-N 1 1 556.578 6.615 1 0 KKAFMO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000049605492 562665972 /nfs/dbraw/zinc/66/59/72/562665972.db2.gz RLPUHILFDIWVSJ-JLHYYAGUSA-N 1 1 537.026 5.898 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCC[C@H]3CCC[N@H+]3C)nc21 ZINC000049605603 562666069 /nfs/dbraw/zinc/66/60/69/562666069.db2.gz GIMUQLCVOVKVCW-LJQANCHMSA-N 1 1 556.568 5.728 1 0 KKAFMO O=C(N[C@H]1CCN(Cc2ccc(OC3CC[NH+](Cc4ccccc4)CC3)cc2)C1)c1ccc(Cl)c(Cl)c1 ZINC000049605820 562666354 /nfs/dbraw/zinc/66/63/54/562666354.db2.gz JMWAICNUPCOKSO-VWLOTQADSA-N 1 1 538.519 6.041 1 0 KKAFMO CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000049614240 562666535 /nfs/dbraw/zinc/66/65/35/562666535.db2.gz ICKAEBJBMGMPQE-XIFFEERXSA-N 1 1 707.878 5.605 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCC3CCCCC3)c2)CC1 ZINC000049615369 562666624 /nfs/dbraw/zinc/66/66/24/562666624.db2.gz SPWXVBHPNBMVMF-UHFFFAOYSA-N 1 1 658.707 5.982 1 0 KKAFMO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3nccc(N4CC[N@H+]5CCC[C@H]5C4)c3cc21 ZINC000049625669 562666848 /nfs/dbraw/zinc/66/68/48/562666848.db2.gz VLCKOBXVABWMGU-IBGZPJMESA-N 1 1 548.474 5.992 1 0 KKAFMO CN(CC[N@@H+](C)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(C(=O)NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000049695047 562670127 /nfs/dbraw/zinc/67/01/27/562670127.db2.gz NEKOXQMHQMJFTR-UHFFFAOYSA-N 1 1 609.429 6.658 1 0 KKAFMO CCCCCC(=O)N1CCO[C@](CC[N@H+]2CCc3c(c4ccccc4n3C)C2)(c2ccc(Cl)c(Cl)c2)C1 ZINC000049710512 562671683 /nfs/dbraw/zinc/67/16/83/562671683.db2.gz VCZBPJOANUSAGW-PMERELPUSA-N 1 1 542.551 6.568 1 0 KKAFMO CS(=O)(=O)Nc1ccc2[nH]cc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000049722514 562672133 /nfs/dbraw/zinc/67/21/33/562672133.db2.gz PVKUHSPWHYTXPL-VLMCNOTKSA-N 1 1 629.654 6.945 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000049722741 562672436 /nfs/dbraw/zinc/67/24/36/562672436.db2.gz TVOYCNZPGKHXCR-NRFANRHFSA-N 1 1 537.648 5.528 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049722732 562672454 /nfs/dbraw/zinc/67/24/54/562672454.db2.gz YFJABXWNYRHAQJ-JLQMKUNGSA-N 1 1 621.074 8.083 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000049722859 562672598 /nfs/dbraw/zinc/67/25/98/562672598.db2.gz MWKSTRQXWPVVMJ-ZRDIBKRKSA-N 1 1 585.498 6.942 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CCCNC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049723327 562673259 /nfs/dbraw/zinc/67/32/59/562673259.db2.gz JYXSCEONQOQFOF-DDCFWYMVSA-N 1 1 613.552 7.626 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000049744751 562673494 /nfs/dbraw/zinc/67/34/94/562673494.db2.gz CQMBANNXWQESSI-PKNBQFBNSA-N 1 1 553.987 6.351 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)c(OCC[NH+]5CCCC5)c4)cc3)c(C)c2)no1 ZINC000049746025 562674218 /nfs/dbraw/zinc/67/42/18/562674218.db2.gz QPAASAWBABHLGD-UHFFFAOYSA-N 1 1 608.480 6.352 1 0 KKAFMO COc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746087 562674257 /nfs/dbraw/zinc/67/42/57/562674257.db2.gz YCICRBGKZHPFJT-QNLPTKCRSA-N 1 1 548.127 5.705 1 0 KKAFMO COc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746087 562674258 /nfs/dbraw/zinc/67/42/58/562674258.db2.gz YCICRBGKZHPFJT-QNLPTKCRSA-N 1 1 548.127 5.705 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5cc(C(F)(F)F)ccc5s4)cc3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049756669 562675185 /nfs/dbraw/zinc/67/51/85/562675185.db2.gz AXMDZPQSJQHLHJ-UHFFFAOYSA-N 1 1 608.690 6.694 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(F)c1 ZINC000049756920 562675317 /nfs/dbraw/zinc/67/53/17/562675317.db2.gz ZUXFIRWLAQBCCS-UHFFFAOYSA-N 1 1 558.683 5.814 1 0 KKAFMO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757079 562675494 /nfs/dbraw/zinc/67/54/94/562675494.db2.gz XMPYIUOBUKKWGS-RBBQXQBVSA-N 1 1 608.179 5.722 1 0 KKAFMO COc1cc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000049757079 562675495 /nfs/dbraw/zinc/67/54/95/562675495.db2.gz XMPYIUOBUKKWGS-RBBQXQBVSA-N 1 1 608.179 5.722 1 0 KKAFMO Cc1cc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@H+](CCC3(c4ccccc4)CN(C(=O)C4CCC(F)(F)CC4)C3)C[C@@H]2C1 ZINC000049757308 562675833 /nfs/dbraw/zinc/67/58/33/562675833.db2.gz KPURTNMKRQFRJT-PLQXJYEYSA-N 1 1 618.691 5.717 1 0 KKAFMO COc1cc(/C=C2\OC(=O)C=C2C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)ccc1O ZINC000049766497 562677057 /nfs/dbraw/zinc/67/70/57/562677057.db2.gz PULSJWKOSGSTDT-MBTHVWNTSA-N 1 1 541.047 5.970 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777796 562680522 /nfs/dbraw/zinc/68/05/22/562680522.db2.gz BMGSGSGMLBHZCA-FAKWYAOSSA-N 1 1 556.531 5.123 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)C[N@H+](Cc1ccncc1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793698 562685106 /nfs/dbraw/zinc/68/51/06/562685106.db2.gz LZXPGRRYRBSCOY-KYJUHHDHSA-N 1 1 656.834 5.872 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c4c(cc(OC)c3OC)-c3c(OC)c(OC)c(OC)c5c3[C@H](C4)N(C)CC5)cc1)[N@@H+](C)CC2 ZINC000049881872 562691197 /nfs/dbraw/zinc/69/11/97/562691197.db2.gz RRKYSGHTIGWTJQ-CONSDPRKSA-N 1 1 696.841 7.063 1 0 KKAFMO CNC(=O)N1CC[NH+](Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049889337 562692007 /nfs/dbraw/zinc/69/20/07/562692007.db2.gz WOBLFEIWTSKVMT-UHFFFAOYSA-N 1 1 679.778 6.826 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917561 562693563 /nfs/dbraw/zinc/69/35/63/562693563.db2.gz DPBDEJSHFAVZAV-NHCUHLMSSA-N 1 1 603.488 6.781 1 0 KKAFMO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917591 562693631 /nfs/dbraw/zinc/69/36/31/562693631.db2.gz GGIHBVOKRSMNKK-ISJGIBHGSA-N 1 1 543.539 5.768 1 0 KKAFMO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCN(Cc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000049917584 562693638 /nfs/dbraw/zinc/69/36/38/562693638.db2.gz IKEZPWSTUBREGN-WBAOKVOOSA-N 1 1 622.851 5.212 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049917601 562693643 /nfs/dbraw/zinc/69/36/43/562693643.db2.gz JONSCBPGWJVBSH-WNOXWKSXSA-N 1 1 670.766 6.108 1 0 KKAFMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917613 562693651 /nfs/dbraw/zinc/69/36/51/562693651.db2.gz HOZWLRIMHVJKNF-ZCNNSNEGSA-N 1 1 605.916 6.952 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917696 562693806 /nfs/dbraw/zinc/69/38/06/562693806.db2.gz CVACZFYQVUKCCT-PZGXJGMVSA-N 1 1 562.076 5.814 1 0 KKAFMO CC(C)Cn1cc(C2CCN(CC[NH+]3CCC(CNC(=O)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4)CC3)CC2)c2ccccc21 ZINC000049917734 562693839 /nfs/dbraw/zinc/69/38/39/562693839.db2.gz FRTOQSVKWOYHMS-UHFFFAOYSA-N 1 1 654.299 7.524 1 0 KKAFMO C[N@@H+](Cc1ccc(NC(=O)NC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1)C1CCOCC1 ZINC000049917775 562693873 /nfs/dbraw/zinc/69/38/73/562693873.db2.gz DVNODNRLYMITPH-WEVVVXLNSA-N 1 1 545.511 5.430 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917855 562694003 /nfs/dbraw/zinc/69/40/03/562694003.db2.gz DJGWKTWKRTXWLC-SFTDATJTSA-N 1 1 619.943 7.295 1 0 KKAFMO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCC[N@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694098 /nfs/dbraw/zinc/69/40/98/562694098.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 1 1 600.594 8.951 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCCC[N@@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694099 /nfs/dbraw/zinc/69/40/99/562694099.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 1 1 600.594 8.951 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCCC[N@H+]4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 562694100 /nfs/dbraw/zinc/69/41/00/562694100.db2.gz QNFKCDNHIDMEBE-JOCHJYFZSA-N 1 1 600.594 8.951 1 0 KKAFMO O=c1cc(NCC[C@@H](C[NH2+]Cc2ccc(Br)o2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049917932 562694156 /nfs/dbraw/zinc/69/41/56/562694156.db2.gz MOWMGWIMHWQDLU-IBGZPJMESA-N 1 1 653.213 6.159 1 0 KKAFMO COc1ccc(CNc2nc(NCc3ccc(C(F)(F)F)cc3)c3cc(OC)c(OC)cc3[nH+]2)cc1OC ZINC000049917964 562694222 /nfs/dbraw/zinc/69/42/22/562694222.db2.gz FGOXWPMCAGMUHH-UHFFFAOYSA-N 1 1 528.531 5.907 1 0 KKAFMO CC(C)(C)c1ccc(C(=O)NC2CCC(CC[N@H+]3CCc4ccc(S(C)(=O)=O)cc4CC3)CC2)cc1C(F)(F)F ZINC000049918039 562694331 /nfs/dbraw/zinc/69/43/31/562694331.db2.gz GKQNEFCNUSWAMR-UHFFFAOYSA-N 1 1 578.741 6.186 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2cccc3ccccc32)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049918132 562694506 /nfs/dbraw/zinc/69/45/06/562694506.db2.gz VOPIXGFAIRZWQB-HKFHRXRESA-N 1 1 644.728 5.594 1 0 KKAFMO Cc1cn2cc(C[C@H](C)C[N@H+]3C[C@@H]4CCCC[C@@H]4[C@H](C(=O)N4CCN(c5ccc(F)c(F)c5)CC4)C3)ccc2n1 ZINC000049952310 562695764 /nfs/dbraw/zinc/69/57/64/562695764.db2.gz JDSZHODNCMSGLL-LBDANMEMSA-N 1 1 549.710 5.187 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260351 562696934 /nfs/dbraw/zinc/69/69/34/562696934.db2.gz IIBJTLJAZGFEHF-AWJLRTIGSA-N 1 1 542.736 6.518 1 0 KKAFMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-n2ccnc2Nc2cc(Nc3ccc(OC(F)(F)F)cc3)nc(C)n2)c1 ZINC000053297061 562697441 /nfs/dbraw/zinc/69/74/41/562697441.db2.gz FAIUHYZCSXCGFU-QHCPKHFHSA-N 1 1 580.615 5.571 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC)c(OC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000055646833 562697742 /nfs/dbraw/zinc/69/77/42/562697742.db2.gz RJVRDLDDCGQDGE-GTRCSXEUSA-N 1 1 620.810 6.044 1 0 KKAFMO CCOc1cc(C[N@H+]2CCC[C@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000058487664 562698210 /nfs/dbraw/zinc/69/82/10/562698210.db2.gz XOKQXPCDCRWFMF-SANMLTNESA-N 1 1 505.634 5.778 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCC1 ZINC000058547191 562699049 /nfs/dbraw/zinc/69/90/49/562699049.db2.gz HMYAEJVTRKONJY-GGAORHGYSA-N 1 1 512.663 5.622 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)c(C)c(C)n6C)c4)CC3)CC2)CC1 ZINC000058554543 562699200 /nfs/dbraw/zinc/69/92/00/562699200.db2.gz GNIRGEIMVRMPCV-UHFFFAOYSA-N 1 1 660.863 5.531 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000058576688 562699731 /nfs/dbraw/zinc/69/97/31/562699731.db2.gz NHBFDSAAENLDDM-KKNAZMBSSA-N 1 1 570.605 6.705 1 0 KKAFMO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058593565 562700686 /nfs/dbraw/zinc/70/06/86/562700686.db2.gz UMVQRVFLSLPAEH-FKBYEOEOSA-N 1 1 521.464 5.419 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(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 562700869 /nfs/dbraw/zinc/70/08/69/562700869.db2.gz HLKCUDXXFULFRD-VOTWKOMSSA-N 1 1 654.891 6.200 1 0 KKAFMO CC(C)N(C[C@H](C1CCCCC1)N1CCN(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 562700870 /nfs/dbraw/zinc/70/08/70/562700870.db2.gz HLKCUDXXFULFRD-VOTWKOMSSA-N 1 1 654.891 6.200 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000058609175 562700998 /nfs/dbraw/zinc/70/09/98/562700998.db2.gz LAMVCVCMNGYVFR-WIIGKZCBSA-N 1 1 579.160 6.331 1 0 KKAFMO CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000059033284 562701643 /nfs/dbraw/zinc/70/16/43/562701643.db2.gz LGVRWYKMQHXANZ-RUZDIDTESA-N 1 1 580.766 7.223 1 0 KKAFMO O=C(N[C@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061907143 562703069 /nfs/dbraw/zinc/70/30/69/562703069.db2.gz GJAOXVPKYSOYFT-MUUNZHRXSA-N 1 1 504.461 6.659 3 0 KKAFMO O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923947 562703525 /nfs/dbraw/zinc/70/35/25/562703525.db2.gz OLUKHOPUUWMDEI-ZONZVBGPSA-N 1 1 509.050 5.218 3 0 KKAFMO CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447951 562705459 /nfs/dbraw/zinc/70/54/59/562705459.db2.gz KXODPPGRRVGQDI-GOTSBHOMSA-N 1 1 576.655 6.199 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c2ccccc21 ZINC000064448105 562705462 /nfs/dbraw/zinc/70/54/62/562705462.db2.gz FFURISGHTWLMMF-GOTSBHOMSA-N 1 1 548.654 6.048 1 0 KKAFMO Cc1cnc(C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)o1 ZINC000064513598 562706451 /nfs/dbraw/zinc/70/64/51/562706451.db2.gz VNUBQNKDVWXUFW-GKRYNVPLSA-N 1 1 624.216 8.062 1 0 KKAFMO CC1(C)COC(CCC[N@H+]2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559933 562708454 /nfs/dbraw/zinc/70/84/54/562708454.db2.gz KGQQZJWWWKYPSC-SSEXGKCCSA-N 1 1 519.657 6.002 1 0 KKAFMO CC1([NH+]2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066066087 562709237 /nfs/dbraw/zinc/70/92/37/562709237.db2.gz QXHNFTXJKOORIT-UHFFFAOYSA-N 1 1 621.440 6.802 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073969 562709624 /nfs/dbraw/zinc/70/96/24/562709624.db2.gz RXIFDJMCJKEING-MGBGTMOVSA-N 1 1 606.815 5.653 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000066073983 562709679 /nfs/dbraw/zinc/70/96/79/562709679.db2.gz RZZCRJFYHDAULL-YAZNYETNSA-N 1 1 548.722 6.970 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCCCC3)n2)CC1 ZINC000066074077 562709702 /nfs/dbraw/zinc/70/97/02/562709702.db2.gz VGYVNPSRBQKVQY-UHFFFAOYSA-N 1 1 544.107 5.693 1 0 KKAFMO C[C@H]1C[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074276 562709768 /nfs/dbraw/zinc/70/97/68/562709768.db2.gz NLIKRVUFEZIMOB-NRFANRHFSA-N 1 1 554.085 5.118 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3ccccc3C)n2)CC1 ZINC000066076368 562710110 /nfs/dbraw/zinc/71/01/10/562710110.db2.gz WVVIHQFAMBXNCK-UHFFFAOYSA-N 1 1 566.113 6.754 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(F)c(F)c3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066099301 562711061 /nfs/dbraw/zinc/71/10/61/562711061.db2.gz KXOXGMSSGWQNPP-FQEVSTJZSA-N 1 1 588.530 5.772 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(F)c(F)c3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066099301 562711062 /nfs/dbraw/zinc/71/10/62/562711062.db2.gz KXOXGMSSGWQNPP-FQEVSTJZSA-N 1 1 588.530 5.772 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000066128536 562712764 /nfs/dbraw/zinc/71/27/64/562712764.db2.gz ACSVFUACEODJDN-BRUQSJHLSA-N 1 1 594.712 5.478 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000066165988 562714023 /nfs/dbraw/zinc/71/40/23/562714023.db2.gz NXXFVICVKMKDAU-VIPXIGFPSA-N 1 1 636.749 6.078 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000066166904 562714166 /nfs/dbraw/zinc/71/41/66/562714166.db2.gz HBRBWGLNHPGTIF-YDPTYEFTSA-N 1 1 628.009 6.270 3 0 KKAFMO CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@H]1CCC[N@@H+](C)C1 ZINC000066259001 562715165 /nfs/dbraw/zinc/71/51/65/562715165.db2.gz GBYAZONQWPEDEC-FQEVSTJZSA-N 1 1 579.593 5.788 1 0 KKAFMO O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000068204924 562716002 /nfs/dbraw/zinc/71/60/02/562716002.db2.gz ZUIDVYFPBJVTSC-UHFFFAOYSA-N 1 1 543.711 5.529 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245722 562716066 /nfs/dbraw/zinc/71/60/66/562716066.db2.gz SEFCGYCHSOJILP-DEOSSOPVSA-N 1 1 526.589 5.287 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071280825 562716599 /nfs/dbraw/zinc/71/65/99/562716599.db2.gz HTCRWUGPSVKEOD-BETPUDKTSA-N 1 1 600.729 7.796 1 0 KKAFMO CNc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281441 562716672 /nfs/dbraw/zinc/71/66/72/562716672.db2.gz DJZPIUMKFAGORF-BWMKXQIXSA-N 1 1 547.747 6.510 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071281785 562716772 /nfs/dbraw/zinc/71/67/72/562716772.db2.gz VWICMIXPVPBSFH-BETPUDKTSA-N 1 1 567.177 7.430 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000071294444 562716848 /nfs/dbraw/zinc/71/68/48/562716848.db2.gz RHNDDANSHAHRMU-BETPUDKTSA-N 1 1 550.722 6.916 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000071294387 562716855 /nfs/dbraw/zinc/71/68/55/562716855.db2.gz IYGVPYIYKUYUKP-ULJKERAFSA-N 1 1 568.712 7.055 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071296427 562717509 /nfs/dbraw/zinc/71/75/09/562717509.db2.gz SCBFPLDUOJGCDI-RPLLCQBOSA-N 1 1 523.073 5.444 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCCN(C)S(=O)(=O)c3ccccc3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296450 562717533 /nfs/dbraw/zinc/71/75/33/562717533.db2.gz TWNPKIQHYYMCGF-NEKDWFFYSA-N 1 1 556.128 5.104 1 0 KKAFMO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCC(n4c5ccccc5[nH]c4=O)CC3)cc2)cc1 ZINC000071297080 562717691 /nfs/dbraw/zinc/71/76/91/562717691.db2.gz KHXUDLHKQASZJR-UHFFFAOYSA-N 1 1 588.752 6.299 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)N(C)c2cccc(Cl)c2)cc1 ZINC000071316678 562718013 /nfs/dbraw/zinc/71/80/13/562718013.db2.gz VODDIVRAKXDCSW-WNCULLNHSA-N 1 1 523.073 5.677 1 0 KKAFMO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340502 562719788 /nfs/dbraw/zinc/71/97/88/562719788.db2.gz NGOUBZNVARCMNU-YHHBSCGTSA-N 1 1 509.009 6.114 1 0 KKAFMO COc1cc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000071341831 562720042 /nfs/dbraw/zinc/72/00/42/562720042.db2.gz JJZIVINBRAZEBB-VCEZEUKISA-N 1 1 603.741 5.111 1 0 KKAFMO COc1ccc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000071342007 562720085 /nfs/dbraw/zinc/72/00/85/562720085.db2.gz UDJFXWAYBUHRBB-WNVMKCEGSA-N 1 1 543.689 5.093 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCCF)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107614 562721309 /nfs/dbraw/zinc/72/13/09/562721309.db2.gz LGKPLVADHFYFMD-REUBFRLUSA-N 1 1 632.211 6.900 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCCC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110026 562721741 /nfs/dbraw/zinc/72/17/41/562721741.db2.gz PFJSCXYDDKLLFK-LXQNXJGFSA-N 1 1 640.259 7.437 1 0 KKAFMO C[C@@H]1CN(Cc2ccccc2C(F)(F)F)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112252 562722045 /nfs/dbraw/zinc/72/20/45/562722045.db2.gz FBOIRBIXZYHAQS-BLYXRRLCSA-N 1 1 574.772 6.943 1 0 KKAFMO CNC(=O)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072112672 562722164 /nfs/dbraw/zinc/72/21/64/562722164.db2.gz LHZFPIBNQGHULX-ZWEKWIFMSA-N 1 1 600.194 6.560 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072119606 562723813 /nfs/dbraw/zinc/72/38/13/562723813.db2.gz DQMSHBPWTQYHPD-NWWGNFDPSA-N 1 1 690.631 7.202 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072121491 562724289 /nfs/dbraw/zinc/72/42/89/562724289.db2.gz LRORJSKSVZGRTN-LGVUCKNBSA-N 1 1 573.553 5.017 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123705 562724885 /nfs/dbraw/zinc/72/48/85/562724885.db2.gz NFGNNHZUGBVANR-ZQWQDMLBSA-N 1 1 720.021 6.031 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127031 562725592 /nfs/dbraw/zinc/72/55/92/562725592.db2.gz RYDIFBSRXOKUDD-ZYADHFCISA-N 1 1 730.057 6.233 3 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)Cc6cccc(C(F)(F)F)c6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072128780 562726363 /nfs/dbraw/zinc/72/63/63/562726363.db2.gz WOMHDKBUDDJYHQ-NGZBDLKASA-N 1 1 644.888 8.265 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(C(C)C)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129820 562726404 /nfs/dbraw/zinc/72/64/04/562726404.db2.gz KQEPGXKTWQOWGB-BCFRNYDHSA-N 1 1 688.338 7.201 1 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)CCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129933 562726601 /nfs/dbraw/zinc/72/66/01/562726601.db2.gz JEZIOZMCMPTLRQ-RKYOAFJVSA-N 1 1 659.937 6.342 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(F)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129960 562726668 /nfs/dbraw/zinc/72/66/68/562726668.db2.gz IAOKTLFQWXBFIY-ZVBBVAIHSA-N 1 1 698.692 6.870 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000072133460 562727028 /nfs/dbraw/zinc/72/70/28/562727028.db2.gz NIQNUTWSSZLHED-RRRPKEFSSA-N 1 1 643.891 5.795 3 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134159 562727263 /nfs/dbraw/zinc/72/72/63/562727263.db2.gz SBLSCNQSOAHLKU-JEFKESASSA-N 1 1 662.856 6.867 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134196 562727266 /nfs/dbraw/zinc/72/72/66/562727266.db2.gz UHQCOWSGJCJWSA-HQPLKVBUSA-N 1 1 712.042 6.369 3 0 KKAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2cccc3ccccc32)CC1 ZINC000072135815 562727566 /nfs/dbraw/zinc/72/75/66/562727566.db2.gz JPYVCINAAAYMTQ-ZDVLLTGQSA-N 1 1 544.659 5.007 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137972 562728549 /nfs/dbraw/zinc/72/85/49/562728549.db2.gz OPEGQSWCUZCCSS-BQYLNSIHSA-N 1 1 714.058 6.528 3 0 KKAFMO O=C(N[C@@H](c1ccc(-c2ccccc2)cc1)c1cnccn1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000072139435 562728920 /nfs/dbraw/zinc/72/89/20/562728920.db2.gz RQAQGPBQCLJWKA-LJAQVGFWSA-N 1 1 531.487 6.568 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000072139483 562728986 /nfs/dbraw/zinc/72/89/86/562728986.db2.gz FDDMFJKLVOMWML-ZHBPACGQSA-N 1 1 703.683 7.704 3 0 KKAFMO O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173166 562730828 /nfs/dbraw/zinc/73/08/28/562730828.db2.gz WZHDTIWURQJJTP-RLDRVVDPSA-N 1 1 691.499 5.700 1 0 KKAFMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000072173234 562730838 /nfs/dbraw/zinc/73/08/38/562730838.db2.gz MDBJKEVTZVRTPR-LDLOPFEMSA-N 1 1 547.696 5.537 1 0 KKAFMO Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1C[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182177 562732848 /nfs/dbraw/zinc/73/28/48/562732848.db2.gz SBFIOSDRDYETRF-FQEVSTJZSA-N 1 1 515.498 5.458 1 0 KKAFMO CC[N@@H+](CCO)CCCOc1cc2ncnc(Nc3ccc4sc(C(=O)Nc5c(C)cccc5Cl)cc4c3)c2cc1OC ZINC000073158487 562733969 /nfs/dbraw/zinc/73/39/69/562733969.db2.gz AYLODKCAMSITQA-UHFFFAOYSA-N 1 1 620.175 6.894 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](CCc2ccccc2)C1=O ZINC000073198374 562735688 /nfs/dbraw/zinc/73/56/88/562735688.db2.gz LVWYTEIVGDGPOX-WDYNHAJCSA-N 1 1 538.688 5.701 1 0 KKAFMO COc1cc(Oc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082138006 562739105 /nfs/dbraw/zinc/73/91/05/562739105.db2.gz JGGXGLYMIBMQAT-UHFFFAOYSA-N 1 1 632.488 6.440 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157524 562740936 /nfs/dbraw/zinc/74/09/36/562740936.db2.gz UUJNEICCDMYHRP-HJIQQCSTSA-N 1 1 705.889 5.419 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165079 562741356 /nfs/dbraw/zinc/74/13/56/562741356.db2.gz QXSAFGQAHODVKD-FJQKOURKSA-N 1 1 726.307 5.764 1 0 KKAFMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1OC ZINC000082185545 562742271 /nfs/dbraw/zinc/74/22/71/562742271.db2.gz UEKRHVIBSZVFQN-IHLOFXLRSA-N 1 1 726.867 7.072 1 0 KKAFMO C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000084425541 562743047 /nfs/dbraw/zinc/74/30/47/562743047.db2.gz DXBUCGZOLYBZDE-JHOBJCJYSA-N 1 1 510.122 5.829 1 0 KKAFMO C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000084425541 562743048 /nfs/dbraw/zinc/74/30/48/562743048.db2.gz DXBUCGZOLYBZDE-JHOBJCJYSA-N 1 1 510.122 5.829 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2)n1 ZINC000084618031 562745002 /nfs/dbraw/zinc/74/50/02/562745002.db2.gz UBXRKHNWPBAFAR-IZZNHLLZSA-N 1 1 541.086 6.332 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(F)ccc2Cl)n1 ZINC000084635286 562746146 /nfs/dbraw/zinc/74/61/46/562746146.db2.gz NZCXBQMJNJEBOM-BJKOFHAPSA-N 1 1 559.076 6.472 1 0 KKAFMO Nc1ncc(-c2cnn(CCC[N@H+]3CC[C@@H](O)C3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c21 ZINC000084635538 562746178 /nfs/dbraw/zinc/74/61/78/562746178.db2.gz OASNOJDJXITQNB-XMMPIXPASA-N 1 1 571.682 5.649 1 0 KKAFMO COc1c(C(C)(C)C)cc(C(=O)NC[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084669046 562747856 /nfs/dbraw/zinc/74/78/56/562747856.db2.gz GQBISTGDMBIUFI-MHZLTWQESA-N 1 1 618.853 9.013 1 0 KKAFMO CNC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000084671916 562748684 /nfs/dbraw/zinc/74/86/84/562748684.db2.gz PWTAINSHJVUOOY-UHFFFAOYSA-N 1 1 651.739 6.591 1 0 KKAFMO CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084690059 562749468 /nfs/dbraw/zinc/74/94/68/562749468.db2.gz IDTHBOAJLCSPNU-XFAFFCHDSA-N 1 1 620.782 6.180 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 ZINC000084690649 562749721 /nfs/dbraw/zinc/74/97/21/562749721.db2.gz HLDXKIWINKORMJ-XFAFFCHDSA-N 1 1 618.766 6.249 1 0 KKAFMO C[NH+]1CCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000084757732 562752481 /nfs/dbraw/zinc/75/24/81/562752481.db2.gz FYUZCRBDIVYHQW-UHFFFAOYSA-N 1 1 670.078 7.325 1 0 KKAFMO COc1cc(CNC[C@@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758694 562752725 /nfs/dbraw/zinc/75/27/25/562752725.db2.gz YHGLBPUDIFJMHI-DEOSSOPVSA-N 1 1 552.706 6.795 1 0 KKAFMO COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@@H]5C2)OCO4)CC[N@H+]1C ZINC000084858031 562753068 /nfs/dbraw/zinc/75/30/68/562753068.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[NH+](C)[C@@H]5C2)OCO4)CC[N@@H+]1C ZINC000084858031 562753069 /nfs/dbraw/zinc/75/30/69/562753069.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@@H]5C2)OCO4)CCN1C ZINC000084858031 562753071 /nfs/dbraw/zinc/75/30/71/562753071.db2.gz HSVFYEXGVUYSRN-WDYNHAJCSA-N 1 1 606.719 6.874 1 0 KKAFMO O=C1N(CCO)CN(c2ccccc2)C12CC[NH+](C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000084899117 562753121 /nfs/dbraw/zinc/75/31/21/562753121.db2.gz CIMPTCWBNSBNEP-UHFFFAOYSA-N 1 1 510.465 5.216 1 0 KKAFMO CN(CCNC(=O)CCCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536866 562754205 /nfs/dbraw/zinc/75/42/05/562754205.db2.gz YZRINCXVZSNLME-UHFFFAOYSA-N 1 1 805.767 6.082 1 0 KKAFMO CN(CCNC(=O)CCCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536866 562754206 /nfs/dbraw/zinc/75/42/06/562754206.db2.gz YZRINCXVZSNLME-UHFFFAOYSA-N 1 1 805.767 6.082 1 0 KKAFMO O=C(N[C@@H]1CCCC[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550057 562759918 /nfs/dbraw/zinc/75/99/18/562759918.db2.gz RFKDBORJIKLFCM-UYVQAEDUSA-N 1 1 767.030 9.005 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095556875 562761969 /nfs/dbraw/zinc/76/19/69/562761969.db2.gz RLJYSFMWNSHSPL-UHFFFAOYSA-N 1 1 798.429 6.955 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1ccccc1 ZINC000095557726 562762210 /nfs/dbraw/zinc/76/22/10/562762210.db2.gz MZWIKZYUQSQKFN-HLEXSIARSA-N 1 1 620.812 6.045 1 0 KKAFMO CCCCc1nc(-c2ccc(OC[C@H]3CCC[N@@H+](CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558459 562762434 /nfs/dbraw/zinc/76/24/34/562762434.db2.gz JUZYFJPCVFWDLS-DEOSSOPVSA-N 1 1 561.191 9.376 1 0 KKAFMO CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000095562127 562763596 /nfs/dbraw/zinc/76/35/96/562763596.db2.gz NNBNYIRKIWKPQO-DEOSSOPVSA-N 1 1 561.191 9.376 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095564709 562764424 /nfs/dbraw/zinc/76/44/24/562764424.db2.gz HOPYMWLRLXEYET-CDHXPAGGSA-N 1 1 708.816 5.175 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095564821 562764475 /nfs/dbraw/zinc/76/44/75/562764475.db2.gz STCNQGKHPZHYJD-KTYLLXISSA-N 1 1 711.826 6.096 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095565379 562764623 /nfs/dbraw/zinc/76/46/23/562764623.db2.gz PEUKOTPXCYQHOA-DOKVQHETSA-N 1 1 690.848 7.657 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566417 562764972 /nfs/dbraw/zinc/76/49/72/562764972.db2.gz WUSLFCKOLHKAFM-BQYLNSIHSA-N 1 1 654.006 6.423 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567070 562765460 /nfs/dbraw/zinc/76/54/60/562765460.db2.gz QMWRRMYICQUONI-PDTNBVABSA-N 1 1 627.807 5.435 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567298 562765673 /nfs/dbraw/zinc/76/56/73/562765673.db2.gz AXAKNSSSVDKLRR-RROHFTNDSA-N 1 1 599.772 6.350 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095567407 562765773 /nfs/dbraw/zinc/76/57/73/562765773.db2.gz RXIJSVCALBVVES-VBEKBXFHSA-N 1 1 706.733 6.722 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567471 562765790 /nfs/dbraw/zinc/76/57/90/562765790.db2.gz DTGXRBNGNVLSQA-ITCLNTCFSA-N 1 1 672.911 7.791 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095567414 562765831 /nfs/dbraw/zinc/76/58/31/562765831.db2.gz RZMKFQMJULYPIX-XUJRGEPCSA-N 1 1 657.833 5.444 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567747 562765999 /nfs/dbraw/zinc/76/59/99/562765999.db2.gz DOYVPIVJJALYPS-KERYWQKISA-N 1 1 604.714 6.011 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095567762 562766086 /nfs/dbraw/zinc/76/60/86/562766086.db2.gz PKQAAOKAAVIVOG-ZLEIESQFSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567891 562766159 /nfs/dbraw/zinc/76/61/59/562766159.db2.gz QDRBVCQGVAHXBS-TZNXZYKKSA-N 1 1 641.813 5.392 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095567975 562766252 /nfs/dbraw/zinc/76/62/52/562766252.db2.gz RBDGKEGTWTXSMS-PHVLTXCSSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095568181 562766394 /nfs/dbraw/zinc/76/63/94/562766394.db2.gz GQVRJEGSXSCMGQ-SNCSJZQCSA-N 1 1 650.780 5.517 1 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095568370 562766591 /nfs/dbraw/zinc/76/65/91/562766591.db2.gz WFUNTFJZTRFJFT-BBACVFHCSA-N 1 1 662.026 6.467 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095568403 562766610 /nfs/dbraw/zinc/76/66/10/562766610.db2.gz JQAVPWYOCCRIFQ-RHDOBMPUSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095568534 562766757 /nfs/dbraw/zinc/76/67/57/562766757.db2.gz CDSRJXSQDFLFIY-GJCZEXATSA-N 1 1 583.773 6.225 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568674 562766781 /nfs/dbraw/zinc/76/67/81/562766781.db2.gz HTBVGGFTFZKUKZ-VCEFOFBQSA-N 1 1 651.635 5.947 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568844 562766921 /nfs/dbraw/zinc/76/69/21/562766921.db2.gz JQXCVRFSCSGTFT-MWXNICTNSA-N 1 1 634.626 5.384 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569000 562767076 /nfs/dbraw/zinc/76/70/76/562767076.db2.gz AYTPHXXENYRUGZ-ZYADHFCISA-N 1 1 646.027 6.761 3 0 KKAFMO FC(F)(F)c1cccc(C[C@H]2C[N@@H+](Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569032 562767117 /nfs/dbraw/zinc/76/71/17/562767117.db2.gz OFGKYXXVDCFLBX-NDEPHWFRSA-N 1 1 541.444 8.777 3 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095569600 562767525 /nfs/dbraw/zinc/76/75/25/562767525.db2.gz VEYXNSARLJIJRR-GLBCCIBASA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569899 562767751 /nfs/dbraw/zinc/76/77/51/562767751.db2.gz RIKKTKCVINKHQI-SGHJWQDXSA-N 1 1 667.556 6.937 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569914 562767770 /nfs/dbraw/zinc/76/77/70/562767770.db2.gz HMCLAGFKTYIJCB-PYAKLNENSA-N 1 1 648.726 6.784 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570164 562767997 /nfs/dbraw/zinc/76/79/97/562767997.db2.gz IXNRSUPNSZLJQC-VUHQHAHBSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095570623 562768336 /nfs/dbraw/zinc/76/83/36/562768336.db2.gz XOJDVVMUWTXSDO-UXVOWUFOSA-N 1 1 670.855 5.256 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095570783 562768491 /nfs/dbraw/zinc/76/84/91/562768491.db2.gz UEDLRIRBQUSIHX-LPBFERMMSA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095571082 562768760 /nfs/dbraw/zinc/76/87/60/562768760.db2.gz SWHQDKJXWQFGPY-KVJLEPHUSA-N 1 1 643.568 5.647 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571106 562768794 /nfs/dbraw/zinc/76/87/94/562768794.db2.gz KPNIWBUOMWGGPJ-XNSHOJTPSA-N 1 1 698.692 6.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095571358 562768999 /nfs/dbraw/zinc/76/89/99/562768999.db2.gz NGQWRAJVXVPGQM-BCWKHWSNSA-N 1 1 668.770 5.656 1 0 KKAFMO COc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)c2)c1OC ZINC000095574305 562769934 /nfs/dbraw/zinc/76/99/34/562769934.db2.gz AMBLFDLOEOETKY-UHFFFAOYSA-N 1 1 591.748 8.809 1 0 KKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095575139 562770208 /nfs/dbraw/zinc/77/02/08/562770208.db2.gz YYSCTYIWGJPHIQ-OUDZLNJNSA-N 1 1 537.059 6.251 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095577954 562771115 /nfs/dbraw/zinc/77/11/15/562771115.db2.gz JQVPXABUZCLODH-DBIYYAQASA-N 1 1 534.741 5.256 1 0 KKAFMO CCN(CCCCNc1c2ccccc2[nH+]c2c1CCCC2)CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000095580080 562771746 /nfs/dbraw/zinc/77/17/46/562771746.db2.gz SWNXUFFUARZIDF-UHFFFAOYSA-N 1 1 548.156 7.043 1 0 KKAFMO C[C@@H](OCc1ccccc1)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095582608 562772661 /nfs/dbraw/zinc/77/26/61/562772661.db2.gz TUCXULKCFZVWCR-HIRMOPAZSA-N 1 1 543.752 5.027 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC(C)C)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095585990 562773856 /nfs/dbraw/zinc/77/38/56/562773856.db2.gz PZIUGDXJYBYDIU-UHFFFAOYSA-N 1 1 571.600 6.628 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095589166 562774897 /nfs/dbraw/zinc/77/48/97/562774897.db2.gz GJCIZLCOLGPOTH-VTRXWXBFSA-N 1 1 515.694 5.001 1 0 KKAFMO COc1ccc2cc3[n+](cc2c1OCCN(CCn1cncn1)Cc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000095593761 562776322 /nfs/dbraw/zinc/77/63/22/562776322.db2.gz LJPZHNSFIRHOCI-UHFFFAOYSA-N 1 1 619.529 5.567 1 0 KKAFMO O=C(N[C@H](C(=O)Nc1cc([C@@H](CO)[NH2+]Cc2ccccc2)ccc1C(=O)c1ccccc1)c1ccccc1)OCc1ccccc1 ZINC000095595647 562776770 /nfs/dbraw/zinc/77/67/70/562776770.db2.gz LKLJXPROGULUMH-GPOMZPHUSA-N 1 1 613.714 6.347 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC[C@H]4CC[N@H+](C)C4)c(C)c3oc2=O)ccc1OC(C)=O ZINC000095596262 562776908 /nfs/dbraw/zinc/77/69/08/562776908.db2.gz WFDZHDAVQXLZFZ-NRFANRHFSA-N 1 1 518.610 5.118 1 0 KKAFMO 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)NC3CCCCC3)cc2C1=O ZINC000095599392 562778062 /nfs/dbraw/zinc/77/80/62/562778062.db2.gz ZGZURALGAMDSDO-FBTROWELSA-N 1 1 690.848 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599477 562778130 /nfs/dbraw/zinc/77/81/30/562778130.db2.gz ZKPAWGOFKUDAFA-BEXWAKDESA-N 1 1 685.788 6.672 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095600510 562778962 /nfs/dbraw/zinc/77/89/62/562778962.db2.gz OCOAZZWZFVYNQI-SUCLBKFRSA-N 1 1 670.678 7.173 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095600538 562778967 /nfs/dbraw/zinc/77/89/67/562778967.db2.gz OCOAZZWZFVYNQI-FXRKCPOXSA-N 1 1 670.678 7.173 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600634 562779069 /nfs/dbraw/zinc/77/90/69/562779069.db2.gz ZBBNPLMVFVREHD-FCSDHKMCSA-N 1 1 719.867 6.742 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600726 562779173 /nfs/dbraw/zinc/77/91/73/562779173.db2.gz VXNFDAPCMDSUMH-GTKRZRNESA-N 1 1 710.070 7.053 3 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600954 562779368 /nfs/dbraw/zinc/77/93/68/562779368.db2.gz UQRVVYXDOOLUAO-QZCKSCMDSA-N 1 1 723.830 6.573 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095601248 562779479 /nfs/dbraw/zinc/77/94/79/562779479.db2.gz DICSNASCOVLQDJ-JALBGMRZSA-N 1 1 664.819 6.406 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095602283 562779984 /nfs/dbraw/zinc/77/99/84/562779984.db2.gz JUEHVKXRGUAEIX-VXRITMHMSA-N 1 1 753.690 8.584 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095602748 562780170 /nfs/dbraw/zinc/78/01/70/562780170.db2.gz KTOLAWMRFLMANX-FCSDHKMCSA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095603115 562780353 /nfs/dbraw/zinc/78/03/53/562780353.db2.gz MKMSHMRQNRVEBK-BUEREQSYSA-N 1 1 584.639 5.702 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604573 562781112 /nfs/dbraw/zinc/78/11/12/562781112.db2.gz ZBBNPLMVFVREHD-JCLAXVLHSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095604642 562781137 /nfs/dbraw/zinc/78/11/37/562781137.db2.gz TWIGAEAIANFZGS-JVAFGIKQSA-N 1 1 602.629 5.841 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095604895 562781266 /nfs/dbraw/zinc/78/12/66/562781266.db2.gz RPQNKPQYAVBHIP-BTHRYZMCSA-N 1 1 630.830 6.621 1 0 KKAFMO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095607659 562782934 /nfs/dbraw/zinc/78/29/34/562782934.db2.gz FUGOXCDTEZQMSW-UHFFFAOYSA-N 1 1 520.654 6.533 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc3c2OCCCO3)OCc2ccccc2-c2ccccc2C1=O ZINC000095661327 562788053 /nfs/dbraw/zinc/78/80/53/562788053.db2.gz MEBNTFIGGVDNJI-OVMXQCPESA-N 1 1 544.692 5.005 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000095661087 562788081 /nfs/dbraw/zinc/78/80/81/562788081.db2.gz XKRZACQUEFCCIM-DQCZWYHMSA-N 1 1 572.731 5.555 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095666110 562788195 /nfs/dbraw/zinc/78/81/95/562788195.db2.gz DXNHWVNJBJSZGC-ZTNZZFSWSA-N 1 1 541.692 5.041 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095754514 562788922 /nfs/dbraw/zinc/78/89/22/562788922.db2.gz DOYVPIVJJALYPS-BXOOBUKZSA-N 1 1 604.714 6.011 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095773325 562789039 /nfs/dbraw/zinc/78/90/39/562789039.db2.gz XGMQKVJTWVADHD-NUNJUMJCSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809964 562789232 /nfs/dbraw/zinc/78/92/32/562789232.db2.gz AOGINIYPPPQZNW-VUHQHAHBSA-N 1 1 702.856 5.546 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095834396 562789402 /nfs/dbraw/zinc/78/94/02/562789402.db2.gz GQPLODGYDYCVNT-FNFPNEPISA-N 1 1 650.625 5.084 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000095842787 562789438 /nfs/dbraw/zinc/78/94/38/562789438.db2.gz LBPNOXZKBSBBPT-UHFFFAOYSA-N 1 1 620.619 7.588 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095850749 562789568 /nfs/dbraw/zinc/78/95/68/562789568.db2.gz ZBSMIXMEGWTGMY-XIWHWFKQSA-N 1 1 583.773 6.225 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869149 562789964 /nfs/dbraw/zinc/78/99/64/562789964.db2.gz RZBAHHBRQVWZMS-KXLVQTRWSA-N 1 1 617.790 7.128 1 0 KKAFMO CN(C)C(=O)C[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169885 562790868 /nfs/dbraw/zinc/79/08/68/562790868.db2.gz HNOXCOFDLMQHTF-UHFFFAOYSA-N 1 1 570.591 5.210 1 0 KKAFMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174012 562791576 /nfs/dbraw/zinc/79/15/76/562791576.db2.gz SZTWINYCQZKHJN-QHCPKHFHSA-N 1 1 507.642 5.134 1 0 KKAFMO Clc1ccc2nc(CC[NH2+]Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)[nH]c2c1 ZINC000096174138 562791750 /nfs/dbraw/zinc/79/17/50/562791750.db2.gz HIMCWBMLZSYSQQ-UHFFFAOYSA-N 1 1 519.012 5.915 1 0 KKAFMO CC[N@H+]1CC[C@H](c2ccc(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)C1 ZINC000096177931 562792449 /nfs/dbraw/zinc/79/24/49/562792449.db2.gz FWJVMXXJENXGCP-FQEVSTJZSA-N 1 1 519.675 5.140 1 0 KKAFMO CC(C)Oc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(=O)N(C1CCN(C(=O)[C@H]3CCC[N@H+]3C)CC1)C2 ZINC000096177896 562792453 /nfs/dbraw/zinc/79/24/53/562792453.db2.gz OXHQSLVSULVZQB-GDLZYMKVSA-N 1 1 710.301 5.628 1 0 KKAFMO CC[N@H+]1CC[C@@H](c2ccc(Nc3nc4n[nH]c(C)c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2)C1 ZINC000096177932 562792543 /nfs/dbraw/zinc/79/25/43/562792543.db2.gz FWJVMXXJENXGCP-HXUWFJFHSA-N 1 1 519.675 5.140 1 0 KKAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)[nH]n3)cc2)CC1 ZINC000096270658 562793327 /nfs/dbraw/zinc/79/33/27/562793327.db2.gz TULDPDLFHDYJMU-UHFFFAOYSA-N 1 1 556.671 5.006 1 0 KKAFMO CC[NH+](CC)Cc1ccc2nc(-c3n[nH]cc3Nc3cc(Cl)nc(Sc4ccc(NC(=O)C5CC5)cc4)n3)[nH]c2c1 ZINC000096271626 562793852 /nfs/dbraw/zinc/79/38/52/562793852.db2.gz CXKZYGHFQYYGMN-UHFFFAOYSA-N 1 1 588.141 6.482 1 0 KKAFMO CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903986 562798078 /nfs/dbraw/zinc/79/80/78/562798078.db2.gz QGPWJPTUKNQFRA-GCFSYYHISA-N 1 1 622.776 6.840 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909585 562799601 /nfs/dbraw/zinc/79/96/01/562799601.db2.gz FFMSWJVJSMAVEL-RBISFHTESA-N 1 1 522.089 6.111 1 0 KKAFMO O=C1C[C@@H](c2c[nH]c3ccccc32)C(=O)N1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000096909805 562799762 /nfs/dbraw/zinc/79/97/62/562799762.db2.gz HFZJXDJGOXFFIC-QHCPKHFHSA-N 1 1 501.030 5.715 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3)ccn2)cc1F ZINC000096932308 562803331 /nfs/dbraw/zinc/80/33/31/562803331.db2.gz ZFWMISSSYWICDR-UHFFFAOYSA-N 1 1 608.670 6.590 1 0 KKAFMO O=C1C(CC(F)(F)F)=C[C@@](O)(CSc2ccc(F)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939397 562804764 /nfs/dbraw/zinc/80/47/64/562804764.db2.gz JBUVRNAJMZDOCD-HSZRJFAPSA-N 1 1 525.955 5.641 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2cccc(F)c2)C1 ZINC000100076304 562806599 /nfs/dbraw/zinc/80/65/99/562806599.db2.gz YYKDOSVRRGZVAV-RLPLKTQASA-N 1 1 572.729 5.840 1 0 KKAFMO CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000100760396 562807683 /nfs/dbraw/zinc/80/76/83/562807683.db2.gz ZYJSDERZORMBNJ-VZRBIBDDSA-N 1 1 509.738 7.325 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@@H]1[C@H](c1ccc(Br)cc1)[C@@]21CC[C@H]2c3ccccc3N[C@H]2C1=O ZINC000101141164 562809417 /nfs/dbraw/zinc/80/94/17/562809417.db2.gz RCVHDPWYXTVRFR-ASZYYYDVSA-N 1 1 554.488 5.786 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)s2)CC1 ZINC000101193595 562809883 /nfs/dbraw/zinc/80/98/83/562809883.db2.gz QBGFOGSWODCRIX-JVPIYLDOSA-N 1 1 603.232 7.477 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)s2)CC1 ZINC000101193595 562809884 /nfs/dbraw/zinc/80/98/84/562809884.db2.gz QBGFOGSWODCRIX-JVPIYLDOSA-N 1 1 603.232 7.477 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000101193587 562809886 /nfs/dbraw/zinc/80/98/86/562809886.db2.gz QOMFGNPECFGGMF-JRLXJTRMSA-N 1 1 606.767 6.491 1 0 KKAFMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(F)c(F)c1 ZINC000101338085 562810361 /nfs/dbraw/zinc/81/03/61/562810361.db2.gz RSRHMLHYZXKQPI-JNXJTYLLSA-N 1 1 506.584 5.059 1 0 KKAFMO O=C(OCC1=CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000101645228 562811542 /nfs/dbraw/zinc/81/15/42/562811542.db2.gz ZAZGMTKMFFNBAG-NDEPHWFRSA-N 1 1 522.645 5.231 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2C[C@]3(C[S@@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000101812236 562812196 /nfs/dbraw/zinc/81/21/96/562812196.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000101812236 562812197 /nfs/dbraw/zinc/81/21/97/562812197.db2.gz RCEGLXVYHHYXSF-PEANNFLOSA-N 1 1 510.744 6.321 1 0 KKAFMO COc1cc(CCC(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806991 562813310 /nfs/dbraw/zinc/81/33/10/562813310.db2.gz JXCYICKXOWATCA-HDDLTCNGSA-N 1 1 643.774 5.625 1 0 KKAFMO Cc1nnc(C2CC2)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000102810395 562813374 /nfs/dbraw/zinc/81/33/74/562813374.db2.gz OQPPVJOMNLVBLC-QUMGSSFMSA-N 1 1 511.661 5.705 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844644 562813420 /nfs/dbraw/zinc/81/34/20/562813420.db2.gz YXRDNZPSJLPOPW-LGKQTMLJSA-N 1 1 505.751 5.874 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000103103035 562814319 /nfs/dbraw/zinc/81/43/19/562814319.db2.gz GYWUGKYGQVCSEZ-JWDWKAQJSA-N 1 1 641.758 5.706 1 0 KKAFMO Brc1ccc(-c2nnc(SCCC[NH+]3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103178812 562815195 /nfs/dbraw/zinc/81/51/95/562815195.db2.gz IDFRYPHILJWNFY-UHFFFAOYSA-N 1 1 516.490 5.413 1 0 KKAFMO CN(C[C@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745636 562849731 /nfs/dbraw/zinc/84/97/31/562849731.db2.gz PWIBKSRNGJCKTO-HNNXBMFYSA-N 1 1 679.093 6.792 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@H]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000103218559 562817304 /nfs/dbraw/zinc/81/73/04/562817304.db2.gz JVGYQPLXCUBDBY-BVRKHOPBSA-N 1 1 640.821 7.838 1 0 KKAFMO NC(=O)[C@]1(c2ccc(C(F)(F)F)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225808 562817799 /nfs/dbraw/zinc/81/77/99/562817799.db2.gz BPUFWGCLVZVQFP-JSCPRHNGSA-N 1 1 534.409 6.547 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227180 562817878 /nfs/dbraw/zinc/81/78/78/562817878.db2.gz KLDQNAOVPPWNBT-UUROJUAVSA-N 1 1 541.731 6.168 1 0 KKAFMO NC(=O)C[C@]1(Cc2ccc(F)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229881 562818089 /nfs/dbraw/zinc/81/80/89/562818089.db2.gz UTHLEDHUMJNQMN-ISRMLTCMSA-N 1 1 511.468 6.953 1 0 KKAFMO Clc1ccccc1C(c1ccccc1Cl)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1Br)C2 ZINC000103229898 562818092 /nfs/dbraw/zinc/81/80/92/562818092.db2.gz ADHVGVWDKXMVQG-BCDXTJNWSA-N 1 1 502.283 7.651 1 0 KKAFMO Clc1ccccc1C(c1ccccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ncccc1Br)C2 ZINC000103229898 562818093 /nfs/dbraw/zinc/81/80/93/562818093.db2.gz ADHVGVWDKXMVQG-BCDXTJNWSA-N 1 1 502.283 7.651 1 0 KKAFMO CN(C(=O)c1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)C1CCCCC1 ZINC000103233194 562818483 /nfs/dbraw/zinc/81/84/83/562818483.db2.gz UFXNOQYBARMPKV-WFPVAPATSA-N 1 1 527.684 6.309 1 0 KKAFMO Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264940 562822019 /nfs/dbraw/zinc/82/20/19/562822019.db2.gz NAEJNSBWOZOTJY-UHFFFAOYSA-N 1 1 629.708 8.275 1 0 KKAFMO Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264940 562822020 /nfs/dbraw/zinc/82/20/20/562822020.db2.gz NAEJNSBWOZOTJY-UHFFFAOYSA-N 1 1 629.708 8.275 1 0 KKAFMO Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264943 562822086 /nfs/dbraw/zinc/82/20/86/562822086.db2.gz NTXAORZHWVUPBL-MKPDMIMOSA-N 1 1 601.673 7.887 1 0 KKAFMO CCOC(=O)[C@@]12C[N@@H+](C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000105484965 562825314 /nfs/dbraw/zinc/82/53/14/562825314.db2.gz JKJUPHVYTNXPOR-FXCXHTNFSA-N 1 1 571.714 5.452 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC000114035118 562826996 /nfs/dbraw/zinc/82/69/96/562826996.db2.gz NZSZHFYWNIRTCK-LJQANCHMSA-N 1 1 532.019 6.295 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CCC[C@H](CC[NH+](C)C)C1 ZINC000114037335 562827099 /nfs/dbraw/zinc/82/70/99/562827099.db2.gz RBIUKSNOCNBWKG-XLIONFOSSA-N 1 1 500.470 7.039 1 0 KKAFMO [NH3+][C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038110 562827215 /nfs/dbraw/zinc/82/72/15/562827215.db2.gz DUCVDAMLKWEHIL-GOSISDBHSA-N 1 1 517.992 5.669 1 0 KKAFMO C[NH+]1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000114039160 562827408 /nfs/dbraw/zinc/82/74/08/562827408.db2.gz LKBNIFQBLUAWMO-UHFFFAOYSA-N 1 1 520.008 6.199 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099217 562827654 /nfs/dbraw/zinc/82/76/54/562827654.db2.gz TUPQMRFXFANGOP-AREMUKBSSA-N 1 1 522.133 6.444 1 0 KKAFMO COc1cc(F)ccc1C[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100444 562827705 /nfs/dbraw/zinc/82/77/05/562827705.db2.gz CUWXIGJERCHVDB-OAQYLSRUSA-N 1 1 505.030 5.156 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000114101083 562827765 /nfs/dbraw/zinc/82/77/65/562827765.db2.gz ZVFDAHHZJSBMQX-HSZRJFAPSA-N 1 1 510.078 5.879 1 0 KKAFMO CC[NH2+][C@@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115942725 562829112 /nfs/dbraw/zinc/82/91/12/562829112.db2.gz DFGKFQWBYFTPQH-SANMLTNESA-N 1 1 595.096 6.700 1 0 KKAFMO CC(C)[N@@H+](C)Cc1ccc(Nc2cc(-c3cc(F)cc(N4CCc5c6c(sc5C4=O)CCCC6)c3CO)cn(C)c2=O)nc1 ZINC000116055705 562829233 /nfs/dbraw/zinc/82/92/33/562829233.db2.gz DIEHSSBQFAFZHG-UHFFFAOYSA-N 1 1 615.775 5.806 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118788942 562830553 /nfs/dbraw/zinc/83/05/53/562830553.db2.gz OXJJQMUURYIRHE-GECAFNLLSA-N 1 1 590.164 6.430 1 0 KKAFMO CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCCC[NH+]1CCOCC1)C(=O)C2 ZINC000118796396 562830686 /nfs/dbraw/zinc/83/06/86/562830686.db2.gz KBSIRPIXPFGKMT-XIFFEERXSA-N 1 1 579.137 6.226 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@H+](Cc3ccccc3)[C@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O ZINC000118921609 562830984 /nfs/dbraw/zinc/83/09/84/562830984.db2.gz HDSBPWALSVPVOL-ZIUSTAAASA-N 1 1 539.760 7.007 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)C[N@@H+](Cc3ccccc3)[C@H](Cc3ccccc3)C(=O)O5)[C@@H]1CCC2=O ZINC000118921609 562830985 /nfs/dbraw/zinc/83/09/85/562830985.db2.gz HDSBPWALSVPVOL-ZIUSTAAASA-N 1 1 539.760 7.007 1 0 KKAFMO C[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=S)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139667795 562832706 /nfs/dbraw/zinc/83/27/06/562832706.db2.gz SUSUTCJYDCBBIL-QWIPUYGYSA-N 1 1 541.705 5.794 1 0 KKAFMO CC(C)C[C@@H]1C(=O)O[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)C[N@H+]1Cc1ccccc1 ZINC000141828827 562833768 /nfs/dbraw/zinc/83/37/68/562833768.db2.gz ZXNGALYTDXDNJO-QMVLBYHBSA-N 1 1 505.743 6.811 1 0 KKAFMO CC(C)C[C@@H]1C(=O)O[C@@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)C[N@@H+]1Cc1ccccc1 ZINC000141828827 562833769 /nfs/dbraw/zinc/83/37/69/562833769.db2.gz ZXNGALYTDXDNJO-QMVLBYHBSA-N 1 1 505.743 6.811 1 0 KKAFMO Clc1cnc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000143004867 562834508 /nfs/dbraw/zinc/83/45/08/562834508.db2.gz JGVMJJLMUPHTRV-UHFFFAOYSA-N 1 1 519.012 5.496 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143094298 562834581 /nfs/dbraw/zinc/83/45/81/562834581.db2.gz NAACULNRHQOKEJ-JOCHJYFZSA-N 1 1 614.150 5.031 1 0 KKAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@@H]6CCOc7ccccc76)ccn5)n4)ccc3[nH]2)CC1 ZINC000144287310 562836024 /nfs/dbraw/zinc/83/60/24/562836024.db2.gz ZTGCMZLZERITCF-SSEXGKCCSA-N 1 1 561.646 5.054 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@]56c5ccccc5NC6=O)ccc34)cc2)C[C@H](C)N1C ZINC000145003383 562836851 /nfs/dbraw/zinc/83/68/51/562836851.db2.gz URVYHEBYZIZVST-LCXZTEIGSA-N 1 1 517.677 5.635 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@]56c5ccccc5NC6=O)ccc34)cc2)C[C@H](C)[N@H+]1C ZINC000145003383 562836852 /nfs/dbraw/zinc/83/68/52/562836852.db2.gz URVYHEBYZIZVST-LCXZTEIGSA-N 1 1 517.677 5.635 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(C=Cc3n[nH]c4cc([C@@H]5C[C@]56c5ccccc5NC6=O)ccc34)cc2)C[C@H](C)[N@@H+]1C ZINC000145003383 562836853 /nfs/dbraw/zinc/83/68/53/562836853.db2.gz URVYHEBYZIZVST-LCXZTEIGSA-N 1 1 517.677 5.635 1 0 KKAFMO Cc1nc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)no1 ZINC000145283929 562836953 /nfs/dbraw/zinc/83/69/53/562836953.db2.gz IRGFNBRYIWLUOO-AWNIVKPZSA-N 1 1 502.634 5.363 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000145950713 562837765 /nfs/dbraw/zinc/83/77/65/562837765.db2.gz LCLJUGQQFWCBGK-KPOBHBOGSA-N 1 1 603.482 5.247 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000145950713 562837766 /nfs/dbraw/zinc/83/77/66/562837766.db2.gz LCLJUGQQFWCBGK-KPOBHBOGSA-N 1 1 603.482 5.247 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957565 562837826 /nfs/dbraw/zinc/83/78/26/562837826.db2.gz QKCSOFLQSGMOTA-RTBURBONSA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957565 562837827 /nfs/dbraw/zinc/83/78/27/562837827.db2.gz QKCSOFLQSGMOTA-RTBURBONSA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145961047 562837860 /nfs/dbraw/zinc/83/78/60/562837860.db2.gz LYNGPWZAZYWOKX-OAHLLOKOSA-N 1 1 575.975 5.256 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980234 562837916 /nfs/dbraw/zinc/83/79/16/562837916.db2.gz ALEQWEZEIXUEON-MOPGFXCFSA-N 1 1 623.007 5.051 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980234 562837917 /nfs/dbraw/zinc/83/79/17/562837917.db2.gz ALEQWEZEIXUEON-MOPGFXCFSA-N 1 1 623.007 5.051 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000146031184 562837964 /nfs/dbraw/zinc/83/79/64/562837964.db2.gz UQSVGDCSKQKNMX-INIZCTEOSA-N 1 1 605.017 5.103 1 0 KKAFMO O=S(=O)(Nc1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2CC[NH2+]CC2)C1 ZINC000146943487 562838930 /nfs/dbraw/zinc/83/89/30/562838930.db2.gz NZVPKFNBCUVMIZ-UHFFFAOYSA-N 1 1 540.608 5.150 1 0 KKAFMO CCOc1ccccc1C[N@H+]1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148619256 562841549 /nfs/dbraw/zinc/84/15/49/562841549.db2.gz FYBDLDRPZFWUMY-QHCPKHFHSA-N 1 1 501.067 5.407 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000148835655 562841848 /nfs/dbraw/zinc/84/18/48/562841848.db2.gz OQQYUUDNHQHZFJ-DEOSSOPVSA-N 1 1 524.105 5.890 1 0 KKAFMO COc1ccccc1Cc1nc2cc(-c3nn([C@H]4CC[C@@H]([NH+]5CCN(CC6CC6)CC5)CC4)c4ncnc(N)c34)ccc2[nH]1 ZINC000148885212 562841947 /nfs/dbraw/zinc/84/19/47/562841947.db2.gz BJSZKHZJEOKFJO-DIVCQZSQSA-N 1 1 591.764 5.063 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000148916258 562841957 /nfs/dbraw/zinc/84/19/57/562841957.db2.gz YPCHAJDITZHKOA-SANMLTNESA-N 1 1 524.149 5.944 1 0 KKAFMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148939134 562841968 /nfs/dbraw/zinc/84/19/68/562841968.db2.gz GZHUKRDKTDCKQD-NRFANRHFSA-N 1 1 505.030 5.156 1 0 KKAFMO COc1ccc(C(OC(=O)[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150556641 562844766 /nfs/dbraw/zinc/84/47/66/562844766.db2.gz NTQAMCUPIBQLDW-VEILRNNESA-N 1 1 701.857 7.626 1 0 KKAFMO CN1CCC([N@@H+](C)C[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c2ccccc2)CC1 ZINC000164745636 562849730 /nfs/dbraw/zinc/84/97/30/562849730.db2.gz PWIBKSRNGJCKTO-HNNXBMFYSA-N 1 1 679.093 6.792 1 0 KKAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(-n6cnc(C)c6)cc(C(F)(F)F)c5)ccc4C)c3n2)CC1 ZINC000165279390 562850046 /nfs/dbraw/zinc/85/00/46/562850046.db2.gz RLRYMLOEMUFYME-UHFFFAOYSA-N 1 1 646.678 5.005 1 0 KKAFMO Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](NC(=O)c4cc(F)cnc4Oc4cccc(-c5ccc(O)cc5C[N@H+]5CCCOCC5)c4)CC3)cn21 ZINC000166567958 562850454 /nfs/dbraw/zinc/85/04/54/562850454.db2.gz ZZQVIKMAVDANAH-RNPORBBMSA-N 1 1 692.792 6.035 1 0 KKAFMO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5cc(Cl)ccn5)n4)CC3)cc2)cc1 ZINC000166788173 562850497 /nfs/dbraw/zinc/85/04/97/562850497.db2.gz XAYQCXQTWXNAEH-UHFFFAOYSA-N 1 1 606.109 6.688 1 0 KKAFMO Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5cc(Cl)ccn5)n[nH]4)CC3)cc2)cc1 ZINC000166788173 562850498 /nfs/dbraw/zinc/85/04/98/562850498.db2.gz XAYQCXQTWXNAEH-UHFFFAOYSA-N 1 1 606.109 6.688 1 0 KKAFMO Brc1cnc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167321643 562850723 /nfs/dbraw/zinc/85/07/23/562850723.db2.gz YUJQWKDHWHVRHF-UHFFFAOYSA-N 1 1 563.463 5.605 1 0 KKAFMO Cc1cccc(-c2nc(C3C[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)C3)n[nH]2)n1 ZINC000167561329 562850950 /nfs/dbraw/zinc/85/09/50/562850950.db2.gz LUGSGIZADRPGGK-UHFFFAOYSA-N 1 1 557.637 5.563 1 0 KKAFMO CC(C)c1ccc(Cn2c3ccccc3[nH+]c2Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)cc1 ZINC000169133698 562851638 /nfs/dbraw/zinc/85/16/38/562851638.db2.gz VYXMUKXJBJICHA-UHFFFAOYSA-N 1 1 518.661 8.033 1 0 KKAFMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290917 562851802 /nfs/dbraw/zinc/85/18/02/562851802.db2.gz LREBZSFQVNJDOZ-UHIXBXOBSA-N 1 1 547.696 5.251 1 0 KKAFMO CN(Cc1ccccc1)C(=S)SC[C@H](O)C[N@@H+](C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000169293474 562852092 /nfs/dbraw/zinc/85/20/92/562852092.db2.gz RRXLVZYMIDIHBC-XNMGPUDCSA-N 1 1 562.723 6.658 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297218 562852509 /nfs/dbraw/zinc/85/25/09/562852509.db2.gz DSCWQEVYSNSKRA-KMYPOQQFSA-N 1 1 585.487 6.712 1 0 KKAFMO C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310153 562854677 /nfs/dbraw/zinc/85/46/77/562854677.db2.gz UWULGUFSFZJDEY-ISTJGCCRSA-N 1 1 580.685 5.231 1 0 KKAFMO CC[NH+](CC)CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 ZINC000169310609 562854834 /nfs/dbraw/zinc/85/48/34/562854834.db2.gz NJQUPDARRLBPKF-UHFFFAOYSA-N 1 1 568.122 5.097 1 0 KKAFMO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc([O-])c(Cl)c3)CC2)ccc1O ZINC000169323322 562856981 /nfs/dbraw/zinc/85/69/81/562856981.db2.gz QKMFQEAWWXOBAM-BHVANESWSA-N 1 1 731.356 7.247 1 0 KKAFMO COC(=O)C1=C(C)N(C)C(=O)N(C(=O)NCCCCNc2cc[nH+]c3cc(Cl)ccc23)[C@@H]1c1ccc(OC)cc1 ZINC000169323735 562857124 /nfs/dbraw/zinc/85/71/24/562857124.db2.gz NYIWBRBYVTUQOT-AREMUKBSSA-N 1 1 566.058 5.354 1 0 KKAFMO COc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)c1 ZINC000169323794 562857157 /nfs/dbraw/zinc/85/71/57/562857157.db2.gz AYPAISSLPNQCRC-UHFFFAOYSA-N 1 1 612.138 6.447 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3ccc(OC)cc3)n2)CC1 ZINC000169323798 562857177 /nfs/dbraw/zinc/85/71/77/562857177.db2.gz GDDSDYZAGYEKQE-UHFFFAOYSA-N 1 1 582.112 6.455 1 0 KKAFMO Clc1ccc2c(c1)nccc2Nc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(N3CCCc4ccccc43)n2)cc1 ZINC000169323823 562857208 /nfs/dbraw/zinc/85/72/08/562857208.db2.gz MDFQBNGKUVMXOV-UHFFFAOYSA-N 1 1 622.177 6.779 1 0 KKAFMO O[C@@H](c1ccccc1)[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330916 562858854 /nfs/dbraw/zinc/85/88/54/562858854.db2.gz KTWPPHPCLMIACC-ZWXJPIIXSA-N 1 1 513.081 6.512 1 0 KKAFMO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169332003 562859083 /nfs/dbraw/zinc/85/90/83/562859083.db2.gz OOOQWLNJRCYLFI-AOBJZNIWSA-N 1 1 578.510 6.191 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338641 562860299 /nfs/dbraw/zinc/86/02/99/562860299.db2.gz JCBJUGDFHYQCQX-JTTXIWGLSA-N 1 1 522.085 5.178 1 0 KKAFMO C[C@@H]([N@H+]1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343637 562861206 /nfs/dbraw/zinc/86/12/06/562861206.db2.gz VWMWQLLSZVYPKC-OYLFLEFRSA-N 1 1 535.542 5.033 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(=O)cc2C)cc1F ZINC000169350396 562862840 /nfs/dbraw/zinc/86/28/40/562862840.db2.gz FPBYLFNVVGRAHD-UHFFFAOYSA-N 1 1 675.664 5.661 1 0 KKAFMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2CC2CCCC2)c1C(C)C ZINC000169353312 562863455 /nfs/dbraw/zinc/86/34/55/562863455.db2.gz WXDAPKXJPLCTGT-UHFFFAOYSA-N 1 1 505.710 8.081 1 0 KKAFMO Cc1[nH+]ccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2Cc2ccccc2)c1C(C)C ZINC000169353313 562863462 /nfs/dbraw/zinc/86/34/62/562863462.db2.gz UDHNPYZXHSINNV-UHFFFAOYSA-N 1 1 513.689 7.939 1 0 KKAFMO CC[N@@H+](CC[C@]1(c2ccc(Cl)c(Cl)c2)CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCO1)[C@@H]1C[C@@H]2c3ccccc3C[C@H]12 ZINC000169358097 562863973 /nfs/dbraw/zinc/86/39/73/562863973.db2.gz KSSAHRFJMYPTHU-CEUBKNRQSA-N 1 1 639.620 6.828 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@](C)(c4ccccc4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169361036 562864187 /nfs/dbraw/zinc/86/41/87/562864187.db2.gz YCNIGXYIMOZCSI-LRVWMBPMSA-N 1 1 658.792 5.656 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169362670 562864267 /nfs/dbraw/zinc/86/42/67/562864267.db2.gz GRZGPYMYCGWTKZ-KEKPKEOLSA-N 1 1 536.713 5.421 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+]([C@H](Cc4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000169723203 562871330 /nfs/dbraw/zinc/87/13/30/562871330.db2.gz ZQRFTSWTVBQPMZ-ZHAMFGDSSA-N 1 1 545.727 8.144 1 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000201981554 562873599 /nfs/dbraw/zinc/87/35/99/562873599.db2.gz NEFWYBQTGGELJS-AECJBDNTSA-N 1 1 623.823 5.516 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4c[nH]nc4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204426865 562874447 /nfs/dbraw/zinc/87/44/47/562874447.db2.gz PAECUBUJXZVOQS-OAQYLSRUSA-N 1 1 500.651 5.068 1 0 KKAFMO C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205011874 562874761 /nfs/dbraw/zinc/87/47/61/562874761.db2.gz JIPBJMCBJJQEKV-APWZRJJASA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000205011874 562874762 /nfs/dbraw/zinc/87/47/62/562874762.db2.gz JIPBJMCBJJQEKV-APWZRJJASA-N 1 1 517.605 5.411 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N1CCC(C2CC[NH2+]CC2)CC1)C1CC1 ZINC000219389045 562878169 /nfs/dbraw/zinc/87/81/69/562878169.db2.gz PVNZQGZWEUSTSQ-UHFFFAOYSA-N 1 1 524.492 6.723 1 0 KKAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2csc(-c3ccncc3)n2)c1 ZINC000220407737 562878415 /nfs/dbraw/zinc/87/84/15/562878415.db2.gz KOMIJRXCEMHXKU-JYFHCDHNSA-N 1 1 600.770 5.081 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(-c5ccccc5)s4)ccc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221769263 562879247 /nfs/dbraw/zinc/87/92/47/562879247.db2.gz JVGVPCAEURBLKO-MOHJPFBDSA-N 1 1 522.674 5.907 1 0 KKAFMO C[C@H]1N[C@H](C(=O)NCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)Cc2c3ccccc3[nH]c21 ZINC000299833603 562886226 /nfs/dbraw/zinc/88/62/26/562886226.db2.gz HSQBZWURRKNSMR-PBBNMVCDSA-N 1 1 509.698 5.959 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(Cl)c(C)cc34)cc2)c1C ZINC000299834705 562886520 /nfs/dbraw/zinc/88/65/20/562886520.db2.gz VEXWDYQHJDYFMJ-UHFFFAOYSA-N 1 1 575.113 5.106 1 0 KKAFMO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+][C@H](c3ccc(C(F)(F)F)cc3)P(=O)(Oc3ccccc3)Oc3ccccc3)CCC[C@]21C ZINC000299835223 562886768 /nfs/dbraw/zinc/88/67/68/562886768.db2.gz KZLWUOLAOQDXQG-BTSKBWHGSA-N 1 1 675.772 11.479 1 0 KKAFMO CC(C)(C)C[N@H+]1CCC[C@@H]1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 ZINC000299835242 562886826 /nfs/dbraw/zinc/88/68/26/562886826.db2.gz WNPYNZDVDUMJBN-WJOKGBTCSA-N 1 1 606.786 9.455 1 0 KKAFMO Cc1c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cccc1-c1cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c(=O)n(C)c1 ZINC000299840958 562888702 /nfs/dbraw/zinc/88/87/02/562888702.db2.gz XABLCCBGJBNQGU-UHFFFAOYSA-N 1 1 561.734 6.092 1 0 KKAFMO O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(-c4ccc(C[NH+]5CCOCC5)cc4)cc32)c1CO ZINC000299857450 562892260 /nfs/dbraw/zinc/89/22/60/562892260.db2.gz CXNFFFGNHMIMLT-UHFFFAOYSA-N 1 1 601.682 5.937 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859216 562892629 /nfs/dbraw/zinc/89/26/29/562892629.db2.gz FMRSUYVTBKFLDM-HHHXNRCGSA-N 1 1 620.581 7.839 1 0 KKAFMO CO[C@H]1CCC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862928 562893705 /nfs/dbraw/zinc/89/37/05/562893705.db2.gz KIIVFPPAZKVFDP-MHZLTWQESA-N 1 1 549.502 7.351 1 0 KKAFMO CCn1c(C)cc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848938 562896507 /nfs/dbraw/zinc/89/65/07/562896507.db2.gz QOQDLOGWNNVPTB-UHFFFAOYSA-O 1 1 532.672 5.670 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473084543 562896900 /nfs/dbraw/zinc/89/69/00/562896900.db2.gz RKCAZSONNBZBAN-MHZLTWQESA-N 1 1 528.012 5.404 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)cc(Br)c2O1 ZINC000473084548 562896910 /nfs/dbraw/zinc/89/69/10/562896910.db2.gz RLLCLKPXUCOREW-SANMLTNESA-N 1 1 685.804 6.929 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3C(F)(F)F)c(=O)n2C)cc1F ZINC000473090923 562897631 /nfs/dbraw/zinc/89/76/31/562897631.db2.gz QIYZTXDAIQBDKE-UHFFFAOYSA-N 1 1 722.740 6.260 1 0 KKAFMO CC[N@@H+](CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473111984 562898634 /nfs/dbraw/zinc/89/86/34/562898634.db2.gz CFOIFFPFAAKXIZ-UHFFFAOYSA-N 1 1 517.622 6.167 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473112742 562898721 /nfs/dbraw/zinc/89/87/21/562898721.db2.gz GDYOTQGQDLNPGL-UHFFFAOYSA-N 1 1 533.621 5.785 1 0 KKAFMO COc1ccccc1C[N@H+](C)CCCCCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1 ZINC000473117372 562899171 /nfs/dbraw/zinc/89/91/71/562899171.db2.gz YZQTYOSPSMIVKH-UHFFFAOYSA-N 1 1 547.648 6.263 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1 ZINC000473117372 562899172 /nfs/dbraw/zinc/89/91/72/562899172.db2.gz YZQTYOSPSMIVKH-UHFFFAOYSA-N 1 1 547.648 6.263 1 0 KKAFMO COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N@H+]1C ZINC000473127146 562899810 /nfs/dbraw/zinc/89/98/10/562899810.db2.gz UXLPSYHSQXWFAK-NRFANRHFSA-N 1 1 510.428 5.806 1 0 KKAFMO COc1cc2c(cc1OCc1ccc(Br)cc1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CC[N@@H+]1C ZINC000473127146 562899811 /nfs/dbraw/zinc/89/98/11/562899811.db2.gz UXLPSYHSQXWFAK-NRFANRHFSA-N 1 1 510.428 5.806 1 0 KKAFMO CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2nc3ccccc3[nH]2)C[C@@H](O)c2cc(F)ccc2[C@@H]1C(C)C ZINC000473129829 562900055 /nfs/dbraw/zinc/90/00/55/562900055.db2.gz ITXUJDTVHQVSLI-JNQIMCCTSA-N 1 1 509.666 5.771 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cccc4c3cccc4N(C)C)cc1)CC2 ZINC000473136493 562901077 /nfs/dbraw/zinc/90/10/77/562901077.db2.gz RZMGECKVAPPQQZ-UHFFFAOYSA-N 1 1 664.828 6.577 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cccc4c3cccc4N(C)C)cc1)CC2 ZINC000473136493 562901078 /nfs/dbraw/zinc/90/10/78/562901078.db2.gz RZMGECKVAPPQQZ-UHFFFAOYSA-N 1 1 664.828 6.577 1 0 KKAFMO COc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473137640 562901229 /nfs/dbraw/zinc/90/12/29/562901229.db2.gz YQJOIGYJHLQOCE-RKNJVWQFSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473137640 562901230 /nfs/dbraw/zinc/90/12/30/562901230.db2.gz YQJOIGYJHLQOCE-RKNJVWQFSA-N 1 1 557.119 7.043 1 0 KKAFMO CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Nc1ccc(NCCC[NH+]2CCN(CC)CC2)cc1 ZINC000473149652 562901540 /nfs/dbraw/zinc/90/15/40/562901540.db2.gz JXMKJNIOAIGALY-UHFFFAOYSA-N 1 1 529.607 5.035 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1)C1CC1 ZINC000473152119 562901737 /nfs/dbraw/zinc/90/17/37/562901737.db2.gz KUHSFMJRJUXBEC-LBZQVFOQSA-N 1 1 522.064 6.481 1 0 KKAFMO COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCC[N@@H+](CCCNC(=O)OCc4ccccc4)C3)cc21 ZINC000473162829 562902813 /nfs/dbraw/zinc/90/28/13/562902813.db2.gz PGWVTNQSTFSHFU-JOCHJYFZSA-N 1 1 516.617 5.874 1 0 KKAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197538 562903708 /nfs/dbraw/zinc/90/37/08/562903708.db2.gz BAQXOGKBXCQITA-IRJFHVNHSA-N 1 1 528.524 7.097 1 0 KKAFMO O=C([O-])C[NH+]1CCC(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215174 562903954 /nfs/dbraw/zinc/90/39/54/562903954.db2.gz AWBWQBMGIDKGBV-DJARZULQSA-N 1 1 532.773 6.292 1 0 KKAFMO O=C([O-])CC[NH+]1CCC(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)CC1 ZINC000473215487 562904010 /nfs/dbraw/zinc/90/40/10/562904010.db2.gz QHAVXVBAQUXABX-HYQNUUMSSA-N 1 1 546.800 6.682 1 0 KKAFMO NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473215516 562904142 /nfs/dbraw/zinc/90/41/42/562904142.db2.gz WGMLKJXEFMLZMR-FDYHHLSLSA-N 1 1 503.735 5.575 1 0 KKAFMO CCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474603342 562905246 /nfs/dbraw/zinc/90/52/46/562905246.db2.gz BVVJNIXKEAOEEH-LJAQVGFWSA-N 1 1 515.698 5.764 1 0 KKAFMO CCCCOc1ccc2c(c1)[C@H](Cc1ccc(OC)c(OC)c1)[N@@H+](CC(=O)NCc1ccccc1)CC2 ZINC000474605858 562905329 /nfs/dbraw/zinc/90/53/29/562905329.db2.gz GNAWVFBVDUDYDY-NDEPHWFRSA-N 1 1 502.655 5.341 1 0 KKAFMO CCCCOc1ccc2c(c1)[C@H](Cc1ccc(OC)c(OC)c1)[N@H+](CC(=O)NCc1ccccc1)CC2 ZINC000474605858 562905330 /nfs/dbraw/zinc/90/53/30/562905330.db2.gz GNAWVFBVDUDYDY-NDEPHWFRSA-N 1 1 502.655 5.341 1 0 KKAFMO CCCCOc1ccc2c(c1)[C@@H](Cc1ccc(OC)c(OC)c1)[N@H+](CC(=O)NCc1ccccc1)CC2 ZINC000474605853 562905379 /nfs/dbraw/zinc/90/53/79/562905379.db2.gz GNAWVFBVDUDYDY-MUUNZHRXSA-N 1 1 502.655 5.341 1 0 KKAFMO CCCCOc1ccc2c(c1)[C@@H](Cc1ccc(OC)c(OC)c1)[N@@H+](CC(=O)NCc1ccccc1)CC2 ZINC000474605853 562905378 /nfs/dbraw/zinc/90/53/78/562905378.db2.gz GNAWVFBVDUDYDY-MUUNZHRXSA-N 1 1 502.655 5.341 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NCc4ccncc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609848 562905709 /nfs/dbraw/zinc/90/57/09/562905709.db2.gz WDZLCEHORPBZIM-SSEXGKCCSA-N 1 1 536.676 5.169 1 0 KKAFMO COc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000653706024 562907811 /nfs/dbraw/zinc/90/78/11/562907811.db2.gz PPURPCBFUCBUMT-UHFFFAOYSA-N 1 1 571.722 5.638 1 0 KKAFMO Fc1ccc(Cn2c3ccccc3c3cc(CN4CC[NH+](Cc5cc6c7ccccc7n(Cc7ccc(F)cc7)c6cn5)CC4)ncc32)cc1 ZINC000653714825 562908428 /nfs/dbraw/zinc/90/84/28/562908428.db2.gz QLNXIXOCYWKGJZ-UHFFFAOYSA-N 1 1 662.788 8.385 1 0 KKAFMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(CC)c5cn4)CC3)ncc21 ZINC000653716263 562908532 /nfs/dbraw/zinc/90/85/32/562908532.db2.gz ILLDQDMGKDLYLL-UHFFFAOYSA-N 1 1 502.666 6.050 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4ccc5ccccc5c4)nn3)cc1)CC2 ZINC000653717534 562908582 /nfs/dbraw/zinc/90/85/82/562908582.db2.gz MXHJCSIMGXEOEW-UHFFFAOYSA-N 1 1 520.633 5.618 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4ccc(C(C)C)cc4)nn3)cc1)CC2 ZINC000653720586 562908732 /nfs/dbraw/zinc/90/87/32/562908732.db2.gz KALANPZFAKSAHJ-UHFFFAOYSA-N 1 1 512.654 5.588 1 0 KKAFMO COc1cc(/C=C/c2ccc(OCC(=O)NCCCCCC[N@@H+](C)Cc3ccccc3OC)cc2)cc(OC)c1 ZINC000653723552 562908909 /nfs/dbraw/zinc/90/89/09/562908909.db2.gz RRFCBVMSNFRIOI-BUHFOSPRSA-N 1 1 546.708 6.070 1 0 KKAFMO CC[N@@H+](CCCCCCNC(=O)COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1ccccc1OC ZINC000653727844 562909252 /nfs/dbraw/zinc/90/92/52/562909252.db2.gz UVFOASANNBDTFF-CCEZHUSRSA-N 1 1 560.735 6.460 1 0 KKAFMO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc1)nc1ccccc12 ZINC000653735641 562909640 /nfs/dbraw/zinc/90/96/40/562909640.db2.gz COUNOVBOTAEZCB-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc1)nc1ccccc12 ZINC000653735641 562909641 /nfs/dbraw/zinc/90/96/41/562909641.db2.gz COUNOVBOTAEZCB-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc1)nc1ccccc12 ZINC000653738987 562909937 /nfs/dbraw/zinc/90/99/37/562909937.db2.gz GNVYNTRHVVMNKZ-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc1)nc1ccccc12 ZINC000653738987 562909938 /nfs/dbraw/zinc/90/99/38/562909938.db2.gz GNVYNTRHVVMNKZ-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO Cc1nc2ccccc2c(N(C)c2ccc(OCC[NH+]3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2)n1 ZINC000653739194 562910043 /nfs/dbraw/zinc/91/00/43/562910043.db2.gz XKSUACZCIOIJIV-UHFFFAOYSA-N 1 1 523.725 6.200 1 0 KKAFMO CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000653745147 562910337 /nfs/dbraw/zinc/91/03/37/562910337.db2.gz QLVSEPBBPSVXDW-UHFFFAOYSA-N 1 1 603.141 9.651 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2cc(OC)c(OC)c(OC)c2)Cc2ccc3c(c2)OCO3)cc1OC ZINC000653748849 562910531 /nfs/dbraw/zinc/91/05/31/562910531.db2.gz WZHZPRTUZZDMJN-UHFFFAOYSA-N 1 1 523.626 5.136 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000653779618 562912051 /nfs/dbraw/zinc/91/20/51/562912051.db2.gz FFNGOERNUVKSJA-UHFFFAOYSA-N 1 1 640.119 6.777 1 0 KKAFMO COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(C(=O)c4ccccc4)cc32)cc1 ZINC000653787799 562912499 /nfs/dbraw/zinc/91/24/99/562912499.db2.gz ZPHGSFNDZGYTOB-UHFFFAOYSA-N 1 1 549.696 5.949 1 0 KKAFMO Cc1nc(-c2ccc(-c3nnc(SCCC[N@@H+]4CCO[C@@H](c5ccc(C(F)(F)F)cc5)C4)n3C)cc2)no1 ZINC000653795040 562912963 /nfs/dbraw/zinc/91/29/63/562912963.db2.gz CRCNNTYVVVULMG-JOCHJYFZSA-N 1 1 544.603 5.415 1 0 KKAFMO Cc1nc(-c2ccc(-c3nnc(SCCC[N@H+]4CCO[C@@H](c5ccc(C(F)(F)F)cc5)C4)n3C)cc2)no1 ZINC000653795040 562912964 /nfs/dbraw/zinc/91/29/64/562912964.db2.gz CRCNNTYVVVULMG-JOCHJYFZSA-N 1 1 544.603 5.415 1 0 KKAFMO COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(COCc4ccccc4)cc32)cc1 ZINC000653796445 562913127 /nfs/dbraw/zinc/91/31/27/562913127.db2.gz WQIXEGIFCSKEGM-UHFFFAOYSA-N 1 1 565.739 6.435 1 0 KKAFMO COc1cc2ncnc(Nc3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)ccc3C)c2cc1OCCC[NH+]1CCOCC1 ZINC000653806109 562913668 /nfs/dbraw/zinc/91/36/68/562913668.db2.gz ZCCCRESXCWSEMU-UHFFFAOYSA-N 1 1 585.749 5.490 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)c(Cl)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000653810868 562913810 /nfs/dbraw/zinc/91/38/10/562913810.db2.gz GLDIGKHKFSWTRF-UHFFFAOYSA-N 1 1 606.167 5.835 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857971 562915891 /nfs/dbraw/zinc/91/58/91/562915891.db2.gz RNRJJFLLKJWVTF-UHFFFAOYSA-N 1 1 573.471 5.757 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3F)nn2)cc1F ZINC000653867753 562916291 /nfs/dbraw/zinc/91/62/91/562916291.db2.gz LVRLELVUZGRCSO-UHFFFAOYSA-N 1 1 629.668 5.163 1 0 KKAFMO CC(C)(C)c1ccc(-c2cn([C@H](CN3CC[NH+](CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888013 562917114 /nfs/dbraw/zinc/91/71/14/562917114.db2.gz KPEVFWABFLSPAM-GDLZYMKVSA-N 1 1 539.749 5.810 1 0 KKAFMO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](CN3C)C4)c(OC)cc2CC[N@H+]1C ZINC000095485887 565173493 /nfs/dbraw/zinc/17/34/93/565173493.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 1 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMO COc1ccccc1C[C@H]1c2cc(Cc3c4c(cc(OC)c3OC)[C@@H]3c5cc(OC)c(O)cc5[C@@H](CN3C)C4)c(OC)cc2CC[N@@H+]1C ZINC000095485887 565173496 /nfs/dbraw/zinc/17/34/96/565173496.db2.gz AIKBCLMYSVNVPX-PPPOZOIESA-N 1 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMO O=C(c1c2ccccc2sc1-c1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCCN2CCCC2)nc1 ZINC000003875331 561684434 /nfs/dbraw/zinc/68/44/34/561684434.db2.gz ZWXFJUPNUWRODU-UHFFFAOYSA-N 1 1 541.717 6.144 1 0 in-vitro KKAFMO CCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922454 561685936 /nfs/dbraw/zinc/68/59/36/561685936.db2.gz CXRZQUOYTHZCRU-UHFFFAOYSA-N 1 1 551.705 6.179 1 0 KKAFMO CCCCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000003929645 561687069 /nfs/dbraw/zinc/68/70/69/561687069.db2.gz LRDGJZZZXIOMCT-HSZRJFAPSA-N 1 1 566.739 6.833 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(NCCOC)cc(C)[nH+]c34)c2Cl)cc1 ZINC000003946573 561689978 /nfs/dbraw/zinc/68/99/78/561689978.db2.gz VWGZMXQWLZLMPT-XNTDXEJSSA-N 1 1 664.590 5.639 1 0 KKAFMO C[N@@H+](CCCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000003946684 561690003 /nfs/dbraw/zinc/69/00/03/561690003.db2.gz CHWKXLFCYIDJEF-PMERELPUSA-N 1 1 570.796 6.471 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000008860377 561708776 /nfs/dbraw/zinc/70/87/76/561708776.db2.gz FHMCHSVDDFETIF-BIDWXGPBSA-N 1 1 603.084 8.229 3 0 KKAFMO COc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000013472199 561714122 /nfs/dbraw/zinc/71/41/22/561714122.db2.gz KBKTWSOCLDXSQT-OUDZLNJNSA-N 1 1 504.630 5.131 1 0 KKAFMO O=S(=O)(NCCN1CCC(C[NH2+][C@@H]2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc21 ZINC000013439459 561712322 /nfs/dbraw/zinc/71/23/22/561712322.db2.gz PPVPMIUFXSUMPV-HHHXNRCGSA-N 1 1 526.146 5.021 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F)CC1CC1 ZINC000013587342 561720670 /nfs/dbraw/zinc/72/06/70/561720670.db2.gz CMJNMXRSXCYJIR-UHFFFAOYSA-N 1 1 506.343 7.853 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5Oc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013780471 561729193 /nfs/dbraw/zinc/72/91/93/561729193.db2.gz SSFSWVIFTITAGI-DZVDWBIPSA-N 1 1 506.602 5.365 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5cccc(Oc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013780465 561729198 /nfs/dbraw/zinc/72/91/98/561729198.db2.gz JEUCGGOZAIJNFG-DZVDWBIPSA-N 1 1 506.602 5.365 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781689 561729462 /nfs/dbraw/zinc/72/94/62/561729462.db2.gz YMJMLBOAWZAJFV-NDEPHWFRSA-N 1 1 528.759 5.971 1 0 KKAFMO C[N@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)NCCCCCNC(=O)/C=C/c2ccc(Cl)cc2)C1 ZINC000013862757 561734825 /nfs/dbraw/zinc/73/48/25/561734825.db2.gz VEWSJWHSMIMAHF-HKGQOMTBSA-N 1 1 502.486 5.145 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)NC(C)(C)C)nc2n1 ZINC000014944252 561742327 /nfs/dbraw/zinc/74/23/27/561742327.db2.gz TWRMMAAINFMTFO-KRWDZBQOSA-N 1 1 544.531 6.595 1 0 KKAFMO Clc1cc(Cl)c2c(c1)nc1c(c2NCCCCCCCNc2c3c([nH+]c4cc(Cl)cc(Cl)c42)CCCC3)CCCC1 ZINC000014947265 561744522 /nfs/dbraw/zinc/74/45/22/561744522.db2.gz AXLKXPGGRMASKW-UHFFFAOYSA-N 1 1 630.491 10.629 1 0 KKAFMO COc1ccc(C[N@@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000014972993 561751657 /nfs/dbraw/zinc/75/16/57/561751657.db2.gz XMZKYVTYJKSJKG-UHFFFAOYSA-N 1 1 538.688 5.835 1 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545710 561755928 /nfs/dbraw/zinc/75/59/28/561755928.db2.gz UNKQRIKLJYKDOX-RDGATRHJSA-N 1 1 587.713 6.757 3 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545869 561756159 /nfs/dbraw/zinc/75/61/59/561756159.db2.gz WDNBAIVCBMDRDB-SXOMAYOGSA-N 1 1 560.691 5.074 3 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CC[N@H+]4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655011 561757791 /nfs/dbraw/zinc/75/77/91/561757791.db2.gz KYLMCYPJCZDSJX-ICTDUYRTSA-N 1 1 619.755 6.433 1 0 KKAFMO c1ccc(C(OCCN2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1 ZINC000022938531 561760830 /nfs/dbraw/zinc/76/08/30/561760830.db2.gz OYZBDSAALZWYTR-UHFFFAOYSA-N 1 1 506.690 6.216 1 0 KKAFMO Cc1ccc(S(=O)(=O)NCCCC[N@H+]2CC[C@@H]3[C@@H](C2)c2cc(F)ccc2N3c2ccc(F)cc2)cc1 ZINC000026189286 561773211 /nfs/dbraw/zinc/77/32/11/561773211.db2.gz LVISBZKPLIJIAQ-XTEPFMGCSA-N 1 1 511.638 5.342 1 0 KKAFMO COCCN(CCOC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026189869 561773409 /nfs/dbraw/zinc/77/34/09/561773409.db2.gz FFEKAHCMXNAHRK-CZFRINIUSA-N 1 1 538.732 6.093 1 0 KKAFMO COc1ccc([C@@H](CCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026268296 561776676 /nfs/dbraw/zinc/77/66/76/561776676.db2.gz CJJFSFFAFAEWIN-SSEXGKCCSA-N 1 1 507.696 6.701 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[NH+]2CCCC2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026270850 561777158 /nfs/dbraw/zinc/77/71/58/561777158.db2.gz FPBXHRFWEYODKI-UHFFFAOYSA-N 1 1 601.723 6.030 1 0 KKAFMO COC(=O)[C@@](CCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282081 561779183 /nfs/dbraw/zinc/77/91/83/561779183.db2.gz LEPRSEYFDFHJBY-YTTGMZPUSA-N 1 1 565.732 6.029 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCC[C@@H](C)O)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026498930 561794914 /nfs/dbraw/zinc/79/49/14/561794914.db2.gz RMNBMSAPTRQBGL-JOMNFKBKSA-N 1 1 571.851 5.713 1 0 KKAFMO CC(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1[nH]cc(C(C)C)[nH+]1)C(C)C ZINC000026489602 561793000 /nfs/dbraw/zinc/79/30/00/561793000.db2.gz CHIPAHFFXADKDX-QMGVEFKFSA-N 1 1 562.755 5.497 1 0 KKAFMO CS(=O)(=O)[N-]c1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026570206 561797867 /nfs/dbraw/zinc/79/78/67/561797867.db2.gz KIKWPYRJPAZDOF-UHFFFAOYSA-N 1 1 619.853 6.480 1 0 KKAFMO C(=C/Cn1c2ccccc2nc1-c1ccc(OCCC[NH+]2CCOCC2)cc1)\Cn1c2ccccc2nc1-c1ccc(OCCCN2CCOCC2)cc1 ZINC000026574935 561798930 /nfs/dbraw/zinc/79/89/30/561798930.db2.gz CQTGVKLTMSDNTL-AATRIKPKSA-N 1 1 726.922 7.179 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)[nH+]c34)c2Cl)cn1 ZINC000026650298 561808172 /nfs/dbraw/zinc/80/81/72/561808172.db2.gz ROURUXKJOMAGMI-GXDHUFHOSA-N 1 1 635.552 5.042 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)C1 ZINC000026663934 561810710 /nfs/dbraw/zinc/81/07/10/561810710.db2.gz AQGDMGSGBMCAQM-IZZNHLLZSA-N 1 1 510.465 5.275 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)c2ccnc3ccccc32)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026674381 561813483 /nfs/dbraw/zinc/81/34/83/561813483.db2.gz AYYJRKHLKVWBKT-UHFFFAOYSA-N 1 1 580.088 6.961 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(Oc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026728561 561816419 /nfs/dbraw/zinc/81/64/19/561816419.db2.gz VRPOLMJTYHGPAL-KLWPZSMLSA-N 1 1 506.602 5.365 1 0 KKAFMO O=C([O-])[C@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026753003 561820174 /nfs/dbraw/zinc/82/01/74/561820174.db2.gz WUHUVZJYMLYIBB-YPKYBTACSA-N 1 1 518.742 5.585 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3c(C)[nH+]c(C)c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026835966 561824331 /nfs/dbraw/zinc/82/43/31/561824331.db2.gz KSAZWYFJLZNXHL-LJAQVGFWSA-N 1 1 582.104 6.420 1 0 KKAFMO CC[C@H](C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000026837790 561824925 /nfs/dbraw/zinc/82/49/25/561824925.db2.gz NVAOIJNKJIRTEW-WJGFFDONSA-N 1 1 749.953 5.032 1 0 KKAFMO COc1cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026843812 561826086 /nfs/dbraw/zinc/82/60/86/561826086.db2.gz RMHALYQZHFLFFL-GDLZYMKVSA-N 1 1 655.623 5.299 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026845660 561826549 /nfs/dbraw/zinc/82/65/49/561826549.db2.gz WSYQSMJFBSIBRN-LJAQVGFWSA-N 1 1 701.539 7.311 1 0 KKAFMO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027095598 561837995 /nfs/dbraw/zinc/83/79/95/561837995.db2.gz LWPLIGWDKHLNEC-OGICNVKRSA-N 1 1 532.684 5.879 1 0 KKAFMO CC(C)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027098137 561838233 /nfs/dbraw/zinc/83/82/33/561838233.db2.gz JZIDYGOQFGSPBI-VKQIGKSZSA-N 1 1 547.095 5.098 1 0 KKAFMO CCCOc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027104711 561839722 /nfs/dbraw/zinc/83/97/22/561839722.db2.gz YMXIFQQEPLWWIN-VKQIGKSZSA-N 1 1 547.095 5.099 1 0 KKAFMO CC[C@@H](C[C@@H](CC[NH+]1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027110085 561841390 /nfs/dbraw/zinc/84/13/90/561841390.db2.gz LOLWRZCPZJOLKK-BHYZAODMSA-N 1 1 576.803 6.926 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nc(NC[C@H]5CCCO5)cc[nH+]4)c3)o1)C(C)(C)CCC2(C)C ZINC000027184754 561842486 /nfs/dbraw/zinc/84/24/86/561842486.db2.gz UDDPYAUUOAMMFB-SSEXGKCCSA-N 1 1 621.826 7.451 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@H]1C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027202125 561845298 /nfs/dbraw/zinc/84/52/98/561845298.db2.gz VCRKDNXOGDJUAN-XMMPIXPASA-N 1 1 576.742 5.423 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(I)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000027214038 561847764 /nfs/dbraw/zinc/84/77/64/561847764.db2.gz XRLXHADLAXWZDU-JSXRDJHFSA-N 1 1 617.265 5.026 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000027320534 561852575 /nfs/dbraw/zinc/85/25/75/561852575.db2.gz MALCCJMOWDULCW-UHFFFAOYSA-N 1 1 664.822 7.714 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027326541 561853703 /nfs/dbraw/zinc/85/37/03/561853703.db2.gz LTDVFWLCCJRLEV-UHFFFAOYSA-N 1 1 608.714 6.359 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027326541 561853706 /nfs/dbraw/zinc/85/37/06/561853706.db2.gz LTDVFWLCCJRLEV-UHFFFAOYSA-N 1 1 608.714 6.359 1 0 KKAFMO C[C@@H]1C[N@@H+](CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1CCOC(c1ccccc1)c1ccccc1 ZINC000027524455 561865715 /nfs/dbraw/zinc/86/57/15/561865715.db2.gz LIDYDSLIYWWVDI-RNPORBBMSA-N 1 1 534.744 6.993 1 0 KKAFMO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000027524455 561865716 /nfs/dbraw/zinc/86/57/16/561865716.db2.gz LIDYDSLIYWWVDI-RNPORBBMSA-N 1 1 534.744 6.993 1 0 KKAFMO C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1CCOC(c1ccccc1)c1ccccc1 ZINC000027524455 561865717 /nfs/dbraw/zinc/86/57/17/561865717.db2.gz LIDYDSLIYWWVDI-RNPORBBMSA-N 1 1 534.744 6.993 1 0 KKAFMO CCOP(=O)(OCC)OC1=CC[N@@H+](Cc2ccccc2)C[C@@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564673 561871936 /nfs/dbraw/zinc/87/19/36/561871936.db2.gz UMICGKRYLVIYSJ-VWLOTQADSA-N 1 1 554.624 7.181 1 0 KKAFMO O=C(/C=C/c1ccc(-c2ccccc2)nc1)NCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027649621 561876442 /nfs/dbraw/zinc/87/64/42/561876442.db2.gz KITJHWWPYQKUFJ-XUTLUUPISA-N 1 1 530.716 6.065 1 0 KKAFMO CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC3(CC1)[NH2+]Cc1cc(C(C)(C)C)cc(I)c1O3)O2 ZINC000027651768 561876671 /nfs/dbraw/zinc/87/66/71/561876671.db2.gz BGUROOIJMCCSJS-UHFFFAOYSA-N 1 1 686.416 7.122 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccn3)cc1)CC2 ZINC000027655231 561877277 /nfs/dbraw/zinc/87/72/77/561877277.db2.gz DIDZZFWLAIYTKE-UHFFFAOYSA-N 1 1 536.632 5.204 1 0 KKAFMO CCCOc1ccc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027654715 561877290 /nfs/dbraw/zinc/87/72/90/561877290.db2.gz IGKPCPCXJOGZDF-BMRADRMJSA-N 1 1 512.698 5.187 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc1)CC2 ZINC000027656133 561877534 /nfs/dbraw/zinc/87/75/34/561877534.db2.gz BSJNRONUCRMMKI-UHFFFAOYSA-N 1 1 525.605 5.402 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(CS(=O)(=O)/C=C/c4ccc(F)cc4)cc3)c2cc1OCCC[NH+]1CCOCC1 ZINC000027764849 561884490 /nfs/dbraw/zinc/88/44/90/561884490.db2.gz BQKAOZYMSYDDLY-WOJGMQOQSA-N 1 1 592.693 5.208 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nc(C(F)(F)F)[nH]c3c2)c1 ZINC000027901484 561891007 /nfs/dbraw/zinc/89/10/07/561891007.db2.gz XWSMFYRZZIFQGL-WUXOVTSDSA-N 1 1 669.836 8.961 1 0 KKAFMO COC(=O)c1nc2ccc(CC[NH2+]C[C@@H](C)c3c4cc(C(C)(C)C(=O)N5CC6CCC5CC6)ccc4[nH]c3-c3cc(C)cc(C)c3)cc2[nH]1 ZINC000027979572 561891403 /nfs/dbraw/zinc/89/14/03/561891403.db2.gz VUEWGUYETSYJTE-WPCLDFDBSA-N 1 1 659.875 7.729 1 0 KKAFMO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccc([NH+]2CCCCC2)cc1)Cc1ccccc1 ZINC000027985354 561892282 /nfs/dbraw/zinc/89/22/82/561892282.db2.gz FSRHVGXBAZIREQ-CDZUIXILSA-N 1 1 556.751 6.157 1 0 KKAFMO CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1 ZINC000027995909 561893728 /nfs/dbraw/zinc/89/37/28/561893728.db2.gz DFPRPTILYYSSFB-XDFJSJKPSA-N 1 1 588.818 6.255 1 0 KKAFMO CC(C)[C@H]1SCC[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027998152 561894161 /nfs/dbraw/zinc/89/41/61/561894161.db2.gz ZAKTWWFGZWYSQC-XHTFZTLQSA-N 1 1 573.844 5.010 1 0 KKAFMO COc1ccc(OCCCN2CC[NH+](CCc3ccc(OC)c(OC)c3)CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007001 561895799 /nfs/dbraw/zinc/89/57/99/561895799.db2.gz WHCGPGKLISUXOR-XIFFEERXSA-N 1 1 591.774 5.499 1 0 KKAFMO COc1ccc(-c2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)[nH]n2)cc1 ZINC000028008611 561896110 /nfs/dbraw/zinc/89/61/10/561896110.db2.gz ZZHYYHDLFCTNSX-LTXBTDFWSA-N 1 1 574.741 6.153 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028010739 561896286 /nfs/dbraw/zinc/89/62/86/561896286.db2.gz MDTAKMHHAHITNR-ONPYCXCXSA-N 1 1 560.758 6.027 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011422 561896393 /nfs/dbraw/zinc/89/63/93/561896393.db2.gz NFDIIEKBTXCQDG-YTTGMZPUSA-N 1 1 580.747 6.212 1 0 KKAFMO CCn1ncc(C(=O)c2ccccc2)c1C1CC[NH+](C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011495 561896495 /nfs/dbraw/zinc/89/64/95/561896495.db2.gz RQENQUZYSHUSAF-DEIXXNFJSA-N 1 1 582.789 6.063 1 0 KKAFMO CCn1ncc(C(=O)c2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011495 561896496 /nfs/dbraw/zinc/89/64/96/561896496.db2.gz RQENQUZYSHUSAF-DEIXXNFJSA-N 1 1 582.789 6.063 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011952 561896499 /nfs/dbraw/zinc/89/64/99/561896499.db2.gz VRSATUGIONHPSW-SSEXGKCCSA-N 1 1 536.694 5.813 1 0 KKAFMO CC(C)(c1c[nH]nc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1)c1ccccc1 ZINC000028012888 561896755 /nfs/dbraw/zinc/89/67/55/561896755.db2.gz GHILCKDNBGGCIM-JUERCWOXSA-N 1 1 568.806 6.664 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028018746 561898004 /nfs/dbraw/zinc/89/80/04/561898004.db2.gz CJYZOGUCFFILDE-VOTWKOMSSA-N 1 1 554.779 6.123 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028020932 561898352 /nfs/dbraw/zinc/89/83/52/561898352.db2.gz BLLRESRTLSJGCS-FCWLVIOWSA-N 1 1 630.849 6.960 1 0 KKAFMO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022949 561898793 /nfs/dbraw/zinc/89/87/93/561898793.db2.gz ZDKXQXAQSWXSLV-LOZBNSEJSA-N 1 1 664.888 5.965 1 0 KKAFMO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095039 561900673 /nfs/dbraw/zinc/90/06/73/561900673.db2.gz YYKXMAVSPFGIFC-HMQVCXRFSA-N 1 1 604.811 6.426 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000028095277 561900838 /nfs/dbraw/zinc/90/08/38/561900838.db2.gz JUFZAZPBSPFLIO-ZEQKJWHPSA-N 1 1 534.595 5.387 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099428 561901398 /nfs/dbraw/zinc/90/13/98/561901398.db2.gz FAZPCIDHXLZGET-MQMFKJKRSA-N 1 1 628.755 7.046 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028100279 561901422 /nfs/dbraw/zinc/90/14/22/561901422.db2.gz VRGCBLCNWHWXFW-JYFHCDHNSA-N 1 1 584.602 6.267 1 0 KKAFMO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028100405 561901544 /nfs/dbraw/zinc/90/15/44/561901544.db2.gz GVWWVDUMZPBPEO-MKJJNCKNSA-N 1 1 700.921 6.860 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018010 561897856 /nfs/dbraw/zinc/89/78/56/561897856.db2.gz IIVZUBFHVGRROU-KUYURNMDSA-N 1 1 560.758 6.027 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccn1 ZINC000028134194 561906265 /nfs/dbraw/zinc/90/62/65/561906265.db2.gz UQCYMASDTSDYFF-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccn1 ZINC000028134194 561906266 /nfs/dbraw/zinc/90/62/66/561906266.db2.gz UQCYMASDTSDYFF-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028136686 561906790 /nfs/dbraw/zinc/90/67/90/561906790.db2.gz SXVLTSDSQOWRHK-NSOVKSMOSA-N 1 1 569.190 5.308 1 0 KKAFMO C[N@@H+](CCc1cccnc1)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 ZINC000028109991 561902924 /nfs/dbraw/zinc/90/29/24/561902924.db2.gz LRGAOOBYJCRZOE-YTTGMZPUSA-N 1 1 586.761 7.719 1 0 KKAFMO COc1ccc(CN(CC[N@@H+](C)CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c2ccccn2)cc1 ZINC000028250258 561911032 /nfs/dbraw/zinc/91/10/32/561911032.db2.gz UOCSMPABENXVNX-UHFFFAOYSA-N 1 1 603.833 5.787 1 0 KKAFMO Cc1c(-c2ccc3ccccc3c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028259182 561911999 /nfs/dbraw/zinc/91/19/99/561911999.db2.gz AFCPJYKILBIDSA-UHFFFAOYSA-N 1 1 540.614 5.035 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235016 561909532 /nfs/dbraw/zinc/90/95/32/561909532.db2.gz FKXFKQBEFHBWQP-NPBSGPTKSA-N 1 1 542.686 6.769 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[C@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234829 561909557 /nfs/dbraw/zinc/90/95/57/561909557.db2.gz NMMHDJMVQJIRJO-QGBBYCRPSA-N 1 1 540.695 5.502 1 0 KKAFMO CC(C)(C)c1cc(NC[C@@H](O)C[NH+]2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000028366380 561917617 /nfs/dbraw/zinc/91/76/17/561917617.db2.gz MJMXIIYEHCGCCI-WJOKGBTCSA-N 1 1 607.830 7.268 1 0 KKAFMO Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCC[NH+]3CCOCC3)c2)cc1 ZINC000028367184 561917877 /nfs/dbraw/zinc/91/78/77/561917877.db2.gz KPTOFNIIVOLOEA-UHFFFAOYSA-N 1 1 615.796 6.467 1 0 KKAFMO C[N@@H+](CCCNC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1cc(Br)cc(Br)c1 ZINC000028389004 561921792 /nfs/dbraw/zinc/92/17/92/561921792.db2.gz AJILZZZNOGMEMD-UHFFFAOYSA-N 1 1 523.191 5.874 1 0 KKAFMO Cc1nc2cc(OC[C@H](O)C[N@@H+]3CCN(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)CC3(C)C)ccc2s1 ZINC000028393792 561922808 /nfs/dbraw/zinc/92/28/08/561922808.db2.gz KDWWMZSKWWXLKU-HXUWFJFHSA-N 1 1 561.630 5.010 1 0 KKAFMO Cc1nc2cc(OC[C@H](O)C[N@H+]3CCN(Cc4nc(-c5ccc(C(F)(F)F)cc5)no4)CC3(C)C)ccc2s1 ZINC000028393792 561922809 /nfs/dbraw/zinc/92/28/09/561922809.db2.gz KDWWMZSKWWXLKU-HXUWFJFHSA-N 1 1 561.630 5.010 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc21 ZINC000028474377 561927582 /nfs/dbraw/zinc/92/75/82/561927582.db2.gz HWKKZBCQXGBFOY-JOCHJYFZSA-N 1 1 510.509 6.253 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ccccc2c1 ZINC000028474819 561927766 /nfs/dbraw/zinc/92/77/66/561927766.db2.gz DKULALWWMCGWHM-QFIPXVFZSA-N 1 1 510.509 6.253 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028523614 561930241 /nfs/dbraw/zinc/93/02/41/561930241.db2.gz OJLKWDKIHVBWDG-AARCXHMLSA-N 1 1 542.768 6.278 1 0 KKAFMO COc1ccccc1CN1CCN(c2nc(-n3nc(-c4ccc(OC)c(OC)c4)cc3SC)nc(N3CC[NH+](Cc4ccccc4OC)CC3)n2)CC1 ZINC000028528567 561933147 /nfs/dbraw/zinc/93/31/47/561933147.db2.gz DPRDMSQCPDSFJB-UHFFFAOYSA-N 1 1 737.931 5.125 1 0 KKAFMO COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CCCCCCCCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000028528699 561933238 /nfs/dbraw/zinc/93/32/38/561933238.db2.gz GWBCSGBBSHCUOR-UHFFFAOYSA-N 1 1 712.376 6.350 1 0 KKAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3cnc4ccccc4c3)CC2)CCCCC1 ZINC000028529188 561933657 /nfs/dbraw/zinc/93/36/57/561933657.db2.gz ZGDBPNDRGDXWOO-UUWRZZSWSA-N 1 1 652.239 5.435 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000028538564 561935156 /nfs/dbraw/zinc/93/51/56/561935156.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 1 1 576.693 7.251 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000028538564 561935158 /nfs/dbraw/zinc/93/51/58/561935158.db2.gz ZBDGREIBILVVBE-NSOVKSMOSA-N 1 1 576.693 7.251 1 0 KKAFMO COc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)N5CC[NH+](Cc6ccccc6)CC5)cc4)nocc2-3)cc1 ZINC000028569168 561937792 /nfs/dbraw/zinc/93/77/92/561937792.db2.gz DBAPNOUCSRGNFU-UHFFFAOYSA-N 1 1 561.638 5.409 1 0 KKAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC23CC3)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000028570669 561939041 /nfs/dbraw/zinc/93/90/41/561939041.db2.gz LDHOENQCWMSQTE-FIRIVFDPSA-N 1 1 633.233 5.256 1 0 KKAFMO COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CC[NH+](Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028637712 561941773 /nfs/dbraw/zinc/94/17/73/561941773.db2.gz ZFZTWKYNORQSDE-MHZLTWQESA-N 1 1 588.696 5.352 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028639093 561942446 /nfs/dbraw/zinc/94/24/46/561942446.db2.gz WWSDSWXELJSXQW-CCEZHUSRSA-N 1 1 617.736 5.424 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+]([C@H](C)c4ccc(C(F)(F)F)cc4)CC3)ncn2)s1 ZINC000028702015 561947083 /nfs/dbraw/zinc/94/70/83/561947083.db2.gz NOJXMKSXBYQUOL-MRXNPFEDSA-N 1 1 542.587 5.739 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702902 561947505 /nfs/dbraw/zinc/94/75/05/561947505.db2.gz UXWASFWFYFPAIK-JNMXXNFJSA-N 1 1 726.787 8.459 1 0 KKAFMO CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704044 561948099 /nfs/dbraw/zinc/94/80/99/561948099.db2.gz QSNHVAXPYDEWER-DAORKYKSSA-N 1 1 596.681 7.549 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028703990 561948107 /nfs/dbraw/zinc/94/81/07/561948107.db2.gz MGXIAUQCPAQVBR-VKYMOPELSA-N 1 1 536.560 6.816 1 0 KKAFMO CCCCCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704025 561948116 /nfs/dbraw/zinc/94/81/16/561948116.db2.gz PZTOZWZKJLRLIC-SYLCWCOESA-N 1 1 620.722 9.156 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@](CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704074 561948239 /nfs/dbraw/zinc/94/82/39/561948239.db2.gz CDCVHCPYWPPPPI-ISBWIJSYSA-N 1 1 554.672 7.496 1 0 KKAFMO CCCCCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704080 561948264 /nfs/dbraw/zinc/94/82/64/561948264.db2.gz FONMXWMXXFXJLM-SYLCWCOESA-N 1 1 570.715 8.277 1 0 KKAFMO CCCCCC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704084 561948284 /nfs/dbraw/zinc/94/82/84/561948284.db2.gz FONMXWMXXFXJLM-SVVQVXAZSA-N 1 1 570.715 8.277 1 0 KKAFMO CC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704054 561948302 /nfs/dbraw/zinc/94/83/02/561948302.db2.gz WZPMKCZRNPIWHY-JHYPHSFXSA-N 1 1 514.607 6.716 1 0 KKAFMO C[N@H+]1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704234 561948422 /nfs/dbraw/zinc/94/84/22/561948422.db2.gz QKCWJUZPSFBAKW-UHFFFAOYSA-N 1 1 505.865 5.601 1 0 KKAFMO Cc1cc(Nc2ncnc3ccc(OCCC[NH+]4CCOCC4)cc32)ccc1OC1CCN(C(=O)CC(C)(C)C)CC1 ZINC000028706371 561949610 /nfs/dbraw/zinc/94/96/10/561949610.db2.gz NKYZLAFGFAJBIY-UHFFFAOYSA-N 1 1 575.754 5.589 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NC3=[NH+]CCN3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711879 561952430 /nfs/dbraw/zinc/95/24/30/561952430.db2.gz AEMYRYZUVIOIJG-UHFFFAOYSA-N 1 1 506.654 6.424 1 0 KKAFMO COCC[N@H+]1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711920 561952436 /nfs/dbraw/zinc/95/24/36/561952436.db2.gz BEASFCMYLAUGDO-JOCHJYFZSA-N 1 1 502.058 6.051 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NCCc3[nH]cc[nH+]3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 ZINC000028711880 561952456 /nfs/dbraw/zinc/95/24/56/561952456.db2.gz IVFRMGRCCUMDLE-UHFFFAOYSA-N 1 1 532.692 7.431 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+]([C@@H](C)CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712506 561953003 /nfs/dbraw/zinc/95/30/03/561953003.db2.gz BZIIORPIORBBJU-QHCPKHFHSA-N 1 1 551.764 6.019 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc5nc(C)c(C)nc5c4)n2C)CC3)no1 ZINC000028712464 561953007 /nfs/dbraw/zinc/95/30/07/561953007.db2.gz VSUKSHADZRDBII-UHFFFAOYSA-N 1 1 539.709 5.589 1 0 KKAFMO CCC[N@H+]1C[C@@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@@H]2C1 ZINC000028713127 561953730 /nfs/dbraw/zinc/95/37/30/561953730.db2.gz PWXYVVOGSGGNIT-MJGOQNOKSA-N 1 1 510.874 6.092 1 0 KKAFMO CC[N@H+]1CCC[C@@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028713636 561954106 /nfs/dbraw/zinc/95/41/06/561954106.db2.gz CIBAYWPDYJITNN-LJQANCHMSA-N 1 1 526.002 7.135 1 0 KKAFMO CN(CCC[N@@H+](C)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4ccoc4cc(c32)C1=O ZINC000028772228 561961649 /nfs/dbraw/zinc/96/16/49/561961649.db2.gz JCKMBTJHPDQUEA-UHFFFAOYSA-N 1 1 628.685 5.631 1 0 KKAFMO c1ccc(C(CCCCN2CC[NH+](CCCC[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816372 561964013 /nfs/dbraw/zinc/96/40/13/561964013.db2.gz QHAZNMQKEAZESL-KXQOOQHDSA-N 1 1 588.836 8.093 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)C[C@@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822152 561966690 /nfs/dbraw/zinc/96/66/90/561966690.db2.gz GTWJLVCVJTUVNI-CUNXSJBXSA-N 1 1 536.655 6.381 1 0 KKAFMO CC(C)C[C@H](NCCC[NH3+])c1cccc(F)c1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823906 561968610 /nfs/dbraw/zinc/96/86/10/561968610.db2.gz ZXOJJZQNCXSKSG-WUFINQPMSA-N 1 1 606.614 5.040 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825206 561970531 /nfs/dbraw/zinc/97/05/31/561970531.db2.gz YCMNXNTUMHDKAF-KAYWLYCHSA-N 1 1 574.791 5.052 1 0 KKAFMO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCC[N@@H+](C[C@@H]3CCCN3Cc3ccccn3)C1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864266 561973137 /nfs/dbraw/zinc/97/31/37/561973137.db2.gz UKXVKKADHVPLJR-MVSFAKPFSA-N 1 1 689.251 5.320 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCCCCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873139 561974724 /nfs/dbraw/zinc/97/47/24/561974724.db2.gz ZLPMBEZUOFMVBR-UHFFFAOYSA-N 1 1 706.972 7.451 1 0 KKAFMO CCCNC(=O)c1cccc(-c2cc3c(o2)c(OC)ccc3C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000028878011 561976078 /nfs/dbraw/zinc/97/60/78/561976078.db2.gz CLXDZRSCENQCJO-UHFFFAOYSA-N 1 1 514.622 5.824 1 0 KKAFMO COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](C)c3ccco3)sc21 ZINC000028901692 561980010 /nfs/dbraw/zinc/98/00/10/561980010.db2.gz MNRSOCSLHRGHDZ-SFHVURJKSA-N 1 1 528.074 5.121 1 0 KKAFMO CC(C)C[C@H](NS(C)(=O)=O)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000028960171 561983968 /nfs/dbraw/zinc/98/39/68/561983968.db2.gz UMBFVDQXXOOUPO-IARZGTGTSA-N 1 1 643.216 5.768 1 0 KKAFMO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1 ZINC000028961118 561984112 /nfs/dbraw/zinc/98/41/12/561984112.db2.gz XREFQBQBSMEQOG-CWHDFZJVSA-N 1 1 508.706 6.269 1 0 KKAFMO COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000029037704 561988745 /nfs/dbraw/zinc/98/87/45/561988745.db2.gz MHMSYXOVNQSRJW-DEOSSOPVSA-N 1 1 535.566 5.559 1 0 KKAFMO C[NH+](C)CCCN(c1ccncc1)c1ccc(-c2ccc3c(C(N)=O)nn(-c4ccc5onc(N)c5c4)c3c2F)c(F)c1 ZINC000028964314 561984778 /nfs/dbraw/zinc/98/47/78/561984778.db2.gz BSOGETFZKSQMJK-UHFFFAOYSA-N 1 1 582.615 5.278 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000029043005 561991817 /nfs/dbraw/zinc/99/18/17/561991817.db2.gz PNFDTYPRKXTXAO-ULNSLHSMSA-N 1 1 592.146 7.166 1 0 KKAFMO c1ccc(-c2cc3cnccc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029048926 561993838 /nfs/dbraw/zinc/99/38/38/561993838.db2.gz XPCKGZDJKQBSHO-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO c1ccc(-c2cc3cnccc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000029048926 561993840 /nfs/dbraw/zinc/99/38/40/561993840.db2.gz XPCKGZDJKQBSHO-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049060 561993878 /nfs/dbraw/zinc/99/38/78/561993878.db2.gz UJLIZNBTYSCBBF-XDFJSJKPSA-N 1 1 553.106 7.094 1 0 KKAFMO CO[C@@H]1C[N@@H+](C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c2ccc(C)cc2nc1C(C)(C)O ZINC000029128967 562001450 /nfs/dbraw/zinc/00/14/50/562001450.db2.gz NNGIOOYYOUWXAP-PISWEHOVSA-N 1 1 512.492 5.011 1 0 KKAFMO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccc3ccccc3c2)C1 ZINC000029125853 561998069 /nfs/dbraw/zinc/99/80/69/561998069.db2.gz SJXPIAWTWLDZLQ-HHHXNRCGSA-N 1 1 531.578 5.646 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@@H+]2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C ZINC000029126853 561999134 /nfs/dbraw/zinc/99/91/34/561999134.db2.gz DOTHXJXYLNKQOQ-UHFFFAOYSA-N 1 1 542.534 5.157 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(N6CCCCC6)oc5cc4CC3)n2C)n1 ZINC000029126901 561999251 /nfs/dbraw/zinc/99/92/51/561999251.db2.gz QWRZAQFQULNINP-UHFFFAOYSA-N 1 1 567.763 6.053 1 0 KKAFMO CCc1noc2cc3c(cc21)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126997 561999376 /nfs/dbraw/zinc/99/93/76/561999376.db2.gz RTMHXVRCXRAHLV-UHFFFAOYSA-N 1 1 512.683 5.625 1 0 KKAFMO Cc1nc2cc3c(c(C)c2o1)CC[N@@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127035 561999413 /nfs/dbraw/zinc/99/94/13/561999413.db2.gz COKSKIXACCXTRS-IBGZPJMESA-N 1 1 526.710 6.068 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127419 561999779 /nfs/dbraw/zinc/99/97/79/561999779.db2.gz MLGRCKZMFCALCK-UHFFFAOYSA-N 1 1 591.579 6.524 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127419 561999781 /nfs/dbraw/zinc/99/97/81/561999781.db2.gz MLGRCKZMFCALCK-UHFFFAOYSA-N 1 1 591.579 6.524 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)/C=C/c4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130307 562002428 /nfs/dbraw/zinc/00/24/28/562002428.db2.gz OWHHSAFAYNBMOB-XNTDXEJSSA-N 1 1 594.658 6.969 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3ccc(OCCNC(=O)Cc4cc(F)cc(F)c4)cc3oc2=O)cc1 ZINC000029131587 562003197 /nfs/dbraw/zinc/00/31/97/562003197.db2.gz GRPPZHNSLSWJDA-UHFFFAOYSA-N 1 1 582.647 6.498 1 0 KKAFMO COc1cc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1OC ZINC000029220263 562007080 /nfs/dbraw/zinc/00/70/80/562007080.db2.gz UKLQRRVICLDJKJ-UHFFFAOYSA-N 1 1 594.774 6.104 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343722 562015830 /nfs/dbraw/zinc/01/58/30/562015830.db2.gz QXIZXTUHGDAAEB-SCNPBXAQSA-N 1 1 695.949 5.797 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)[nH+]c34)c2Cl)cc1 ZINC000029390680 562017310 /nfs/dbraw/zinc/01/73/10/562017310.db2.gz XRDVAWCYQCZLQY-LFIBNONCSA-N 1 1 634.564 5.647 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(OCCCc5ccccc5)[C@@H](C2)[N@@H+](CCc2ccccc2)CC[C@]314 ZINC000029468654 562025064 /nfs/dbraw/zinc/02/50/64/562025064.db2.gz FJJLQZCJBYGMID-ODRDEDCPSA-N 1 1 523.673 5.318 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C ZINC000029481822 562027481 /nfs/dbraw/zinc/02/74/81/562027481.db2.gz IDOBPYXTEVHMLB-HEVIKAOCSA-N 1 1 584.805 5.050 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccc(Cl)cc3)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029547026 562030110 /nfs/dbraw/zinc/03/01/10/562030110.db2.gz WERILZBFRFDDLU-MHZLTWQESA-N 1 1 637.029 5.662 1 0 KKAFMO [NH3+]CCCCCOC[C@@H]1O[C@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2cnc[nH]2)[C@H](OCc2ccccc2)[C@H]1OCCc1cccnc1 ZINC000029552261 562031355 /nfs/dbraw/zinc/03/13/55/562031355.db2.gz ZITWOMGDVPSLHM-MHIGEHEBSA-N 1 1 683.850 5.514 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)C(C)(C)O2 ZINC000029568694 562035052 /nfs/dbraw/zinc/03/50/52/562035052.db2.gz VCBUSSFRFSIRMS-WXWTWREUSA-N 1 1 612.792 7.313 1 0 KKAFMO CCCCC/C=C/C/C=C/CCCCCCCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000029569156 562035184 /nfs/dbraw/zinc/03/51/84/562035184.db2.gz YQYPMWNVIHIRGQ-VADYNSSVSA-N 1 1 604.876 7.255 1 0 KKAFMO CCCCc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000033620191 562037428 /nfs/dbraw/zinc/03/74/28/562037428.db2.gz PXRCLMWFSFNMMA-UHFFFAOYSA-N 1 1 511.710 8.498 1 0 KKAFMO CC[C@@]12CC[N@H+](CC3CC3)[C@@H](C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C ZINC000035034181 562044427 /nfs/dbraw/zinc/04/44/27/562044427.db2.gz IJLHXZHRLFSESI-RSQZNSMNSA-N 1 1 506.690 6.291 1 0 KKAFMO CC[C@@]12CC[N@@H+](CC3CC3)[C@@H](C(=O)c3ccc(C(=O)NCCc4ccc(-c5ccccc5)cc4)cc31)[C@@H]2C ZINC000035034181 562044429 /nfs/dbraw/zinc/04/44/29/562044429.db2.gz IJLHXZHRLFSESI-RSQZNSMNSA-N 1 1 506.690 6.291 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Br)cc3)c3ccccc32)CC1 ZINC000036089367 562046917 /nfs/dbraw/zinc/04/69/17/562046917.db2.gz RLTWHAFQDQJWDG-UHFFFAOYSA-N 1 1 524.850 5.225 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(Cl)cc(Cl)c3)c3ccccc32)CC1 ZINC000036089487 562047026 /nfs/dbraw/zinc/04/70/26/562047026.db2.gz OLBITTLQHVXSOM-UHFFFAOYSA-N 1 1 514.844 5.769 1 0 KKAFMO C[NH+]1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1 ZINC000036089459 562047115 /nfs/dbraw/zinc/04/71/15/562047115.db2.gz IYDUTHNIPZPIDW-UHFFFAOYSA-N 1 1 517.914 5.019 1 0 KKAFMO FC(F)(F)c1ccccc1C[N@@H+](Cc1csc(Nc2cccc3ccccc32)n1)CC1CCCCC1 ZINC000036159718 562048307 /nfs/dbraw/zinc/04/83/07/562048307.db2.gz FGUZANXDGBGCBM-UHFFFAOYSA-N 1 1 509.641 8.641 1 0 KKAFMO FC(F)(F)c1ccccc1C[N@H+](Cc1csc(Nc2cccc3ccccc32)n1)CC1CCCCC1 ZINC000036159718 562048309 /nfs/dbraw/zinc/04/83/09/562048309.db2.gz FGUZANXDGBGCBM-UHFFFAOYSA-N 1 1 509.641 8.641 1 0 KKAFMO C[C@@H](c1ccccc1OCCC[NH+]1CCOCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175765 562048998 /nfs/dbraw/zinc/04/89/98/562048998.db2.gz RPRHSMMTDNUUQI-FQEVSTJZSA-N 1 1 551.055 5.676 1 0 KKAFMO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@H]2c3ccccc3CN2C)CC1 ZINC000036284698 562053365 /nfs/dbraw/zinc/05/33/65/562053365.db2.gz CXNCKVKDTNIURI-OUYGKKDFSA-N 1 1 634.240 5.311 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322401 562055250 /nfs/dbraw/zinc/05/52/50/562055250.db2.gz FPXIRXAXVYUYRD-GOTSBHOMSA-N 1 1 537.491 6.242 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(N(C)C(=O)NC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331620 562056725 /nfs/dbraw/zinc/05/67/25/562056725.db2.gz NSSJCYGGRMNCTP-UHFFFAOYSA-N 1 1 608.764 6.363 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(N(C)C(=O)NC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331620 562056727 /nfs/dbraw/zinc/05/67/27/562056727.db2.gz NSSJCYGGRMNCTP-UHFFFAOYSA-N 1 1 608.764 6.363 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccccc1 ZINC000036338410 562056988 /nfs/dbraw/zinc/05/69/88/562056988.db2.gz UKXFQNNXQPKCRG-RSXGOPAZSA-N 1 1 516.605 5.248 1 0 KKAFMO CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000036349324 562057950 /nfs/dbraw/zinc/05/79/50/562057950.db2.gz VULRFDUFJCQCEM-NSOVKSMOSA-N 1 1 537.745 5.240 1 0 KKAFMO CCCC[N@H+]1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351500 562058550 /nfs/dbraw/zinc/05/85/50/562058550.db2.gz UTAPFVCSIYSFAD-FTJBHMTQSA-N 1 1 530.635 5.445 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC000036351565 562058749 /nfs/dbraw/zinc/05/87/49/562058749.db2.gz VZEKCKWGJKOXIG-SXOMAYOGSA-N 1 1 542.646 5.445 1 0 KKAFMO CC(C)C(=O)Nc1ccc2c(c1)C[C@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351892 562059308 /nfs/dbraw/zinc/05/93/08/562059308.db2.gz KROXLQNVMVQKIP-RUZDIDTESA-N 1 1 544.115 5.103 1 0 KKAFMO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000036415299 562060710 /nfs/dbraw/zinc/06/07/10/562060710.db2.gz JCEFNPWMPAOQID-YTTGMZPUSA-N 1 1 528.618 7.161 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000037858550 562062107 /nfs/dbraw/zinc/06/21/07/562062107.db2.gz VWJBBKPEYUUTPI-UHFFFAOYSA-N 1 1 710.970 7.675 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000038146585 562065307 /nfs/dbraw/zinc/06/53/07/562065307.db2.gz WGQCVUUUJSQMIV-DHLKQENFSA-N 1 1 581.750 6.823 3 0 KKAFMO CCC(CC)(C(=O)N[C@@H]1C[C@@H]2C[C@](c3cccc(O)c3)(C1)[C@@H](C)C[N@H+]2CCCc1ccccc1)c1ccccc1 ZINC000038147762 562065536 /nfs/dbraw/zinc/06/55/36/562065536.db2.gz KKPAJNFGOKLNPE-ONTRIGRTSA-N 1 1 538.776 7.010 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4cccc5ccccc54)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147758 562065592 /nfs/dbraw/zinc/06/55/92/562065592.db2.gz UIEAIJWWPQRFLC-YSKMISTLSA-N 1 1 586.820 7.917 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)CN(C)C4 ZINC000038147452 562065636 /nfs/dbraw/zinc/06/56/36/562065636.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 1 1 608.735 6.859 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)CN(C)C4 ZINC000038147452 562065638 /nfs/dbraw/zinc/06/56/38/562065638.db2.gz ZJMYHEVTMWXXMA-SVEHJYQDSA-N 1 1 608.735 6.859 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccc5ccccc5c4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147757 562065656 /nfs/dbraw/zinc/06/56/56/562065656.db2.gz MXVKOHKPFZWYQD-QXQQECFMSA-N 1 1 586.820 7.917 1 0 KKAFMO COC[C@H]1CCC[N@H+]1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2o1 ZINC000038149682 562066160 /nfs/dbraw/zinc/06/61/60/562066160.db2.gz MTAKKFFTZMEHRX-OAQYLSRUSA-N 1 1 506.027 6.125 1 0 KKAFMO C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1[nH]c2c(cc(C(F)(F)F)cc2N(Cc2ccccc2)Cc2ccccc2)[nH+]1 ZINC000038157615 562069290 /nfs/dbraw/zinc/06/92/90/562069290.db2.gz AUFLGFDRZBYTIH-JOCHJYFZSA-N 1 1 621.107 7.044 1 0 KKAFMO CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCC[N@H+](C(C)C)CC1 ZINC000040420193 562075650 /nfs/dbraw/zinc/07/56/50/562075650.db2.gz FEDGBRFVHIFPHZ-UHFFFAOYSA-N 1 1 516.473 5.703 1 0 KKAFMO COc1ccc(Oc2ccc(-c3nc4ccc(-c5nc6cc(C(N)=[NH2+])ccc6[nH]5)cc4[nH]3)cc2)cc1OC ZINC000040422310 562075910 /nfs/dbraw/zinc/07/59/10/562075910.db2.gz UEQFHDPFQQTNGA-UHFFFAOYSA-N 1 1 504.550 5.867 1 0 KKAFMO COc1ccc(Oc2ccc(-c3nc4cc(-c5nc6ccc(C(N)=[NH2+])cc6[nH]5)ccc4[nH]3)cc2)cc1OC ZINC000040422310 562075911 /nfs/dbraw/zinc/07/59/11/562075911.db2.gz UEQFHDPFQQTNGA-UHFFFAOYSA-N 1 1 504.550 5.867 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(Nc2ccnc3cc(Cl)ccc32)cc(C(=O)N2CCCCC2)c1 ZINC000040422617 562076017 /nfs/dbraw/zinc/07/60/17/562076017.db2.gz MXFVZADJLLWXHZ-UHFFFAOYSA-N 1 1 506.050 5.682 1 0 KKAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)CC2CCCCC2)cc1 ZINC000040425196 562076591 /nfs/dbraw/zinc/07/65/91/562076591.db2.gz FBLJAGQGQQBHGC-QFIPXVFZSA-N 1 1 529.530 5.230 1 0 KKAFMO CCOCC=Cc1ccc(-c2nc(-c3ccc(NC(=O)CC[NH3+])cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000040934976 562084850 /nfs/dbraw/zinc/08/48/50/562084850.db2.gz OPYIPIDWPFWRTA-AATRIKPKSA-N 1 1 509.654 5.814 1 0 KKAFMO Cc1c(C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cc(-c2ccccc2)n1Nc1ccnc2cc(Cl)ccc21 ZINC000040952931 562086357 /nfs/dbraw/zinc/08/63/57/562086357.db2.gz JXXMYXNMLBKOAF-QABMSTFYSA-N 1 1 514.117 6.894 1 0 KKAFMO CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCC(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3o2)cc(C(C)(C)C)c1O ZINC000042803676 562088357 /nfs/dbraw/zinc/08/83/57/562088357.db2.gz NDKRSKONJKAAOZ-UHFFFAOYSA-N 1 1 582.741 6.484 1 0 KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@@H](C[C@@H]4[C@@H](c5ccccc5)CC[C@@H]4[C@H]3[C@@H](O)CC3CCCC3)[C@H]2[C@@H]1C ZINC000085532468 560072626 /nfs/dbraw/zinc/07/26/26/560072626.db2.gz DHCHQHMMIVACMU-FUUURWHNSA-N 1 1 559.747 6.439 1 0 biogenic,in-vitro KKAFMO O=C1c2ccccc2S[C@@H](c2c(Cl)cccc2Cl)N1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000043543916 562649547 /nfs/dbraw/zinc/64/95/47/562649547.db2.gz IFDQMQAZGNHOSA-MHZLTWQESA-N 1 1 542.919 8.334 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544030 562649601 /nfs/dbraw/zinc/64/96/01/562649601.db2.gz DSQXPFNDAOHWMU-ZMAQEQNXSA-N 1 1 577.773 6.722 1 0 KKAFMO CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41C[N@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000044117686 562652350 /nfs/dbraw/zinc/65/23/50/562652350.db2.gz MOSIRVPMEDLWCZ-MXTSBSQWSA-N 1 1 583.729 5.021 1 0 KKAFMO COc1ccc(-c2nnc(C3CC[NH+](Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1 ZINC000044306327 562653697 /nfs/dbraw/zinc/65/36/97/562653697.db2.gz JLQPVVYLBVGTJX-UHFFFAOYSA-N 1 1 569.669 5.825 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@@H](C)[N@@H+]3CC(C)C)ncn2)s1 ZINC000044352522 562655173 /nfs/dbraw/zinc/65/51/73/562655173.db2.gz QSMKDSHSYVNTOC-HXOBKFHXSA-N 1 1 612.678 6.970 1 0 KKAFMO CC[N@@H+](CCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388006 562656250 /nfs/dbraw/zinc/65/62/50/562656250.db2.gz INUMVYWXFUFMTG-UHFFFAOYSA-N 1 1 540.133 5.210 1 0 KKAFMO CC[N@@H+](CCCCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044388337 562656322 /nfs/dbraw/zinc/65/63/22/562656322.db2.gz RNXDTZUOYPAGOH-UHFFFAOYSA-N 1 1 554.160 5.600 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)NCc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000044417918 562657187 /nfs/dbraw/zinc/65/71/87/562657187.db2.gz XEFLYHIVRZPKJS-UHFFFAOYSA-N 1 1 558.082 6.483 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1cc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)co1 ZINC000044419105 562657401 /nfs/dbraw/zinc/65/74/01/562657401.db2.gz CREMXLIEDCOOOC-UHFFFAOYSA-N 1 1 587.098 6.201 1 0 KKAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@@H+]4Cc4cccc(OC(F)(F)F)c4)ccc3CC[C@H]2O)cc1 ZINC000044430342 562657496 /nfs/dbraw/zinc/65/74/96/562657496.db2.gz MODGNMAMHCPEIG-MPFGFTFXSA-N 1 1 617.690 5.077 1 0 KKAFMO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCC[N@H+]4Cc4cccc(OC(F)(F)F)c4)ccc3CC[C@H]2O)cc1 ZINC000044430342 562657497 /nfs/dbraw/zinc/65/74/97/562657497.db2.gz MODGNMAMHCPEIG-MPFGFTFXSA-N 1 1 617.690 5.077 1 0 KKAFMO C[N@@H+](Cc1cc2c(o1)n(CCc1ccccc1)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@@H](O)c1ccco1 ZINC000044431319 562657825 /nfs/dbraw/zinc/65/78/25/562657825.db2.gz CHYCVBXRTRYBCE-HHHXNRCGSA-N 1 1 560.050 5.179 1 0 KKAFMO C[N@H+](Cc1cc2c(o1)n(CCc1ccccc1)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@@H](O)c1ccco1 ZINC000044431319 562657826 /nfs/dbraw/zinc/65/78/26/562657826.db2.gz CHYCVBXRTRYBCE-HHHXNRCGSA-N 1 1 560.050 5.179 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(OC)c1 ZINC000045188425 562658303 /nfs/dbraw/zinc/65/83/03/562658303.db2.gz LCVHSJBRQOBHRT-UHFFFAOYSA-N 1 1 524.061 5.294 1 0 KKAFMO CC(C)(C[NH2+]Cc1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000045190458 562658489 /nfs/dbraw/zinc/65/84/89/562658489.db2.gz ITSYIVOJYRZNJS-UHFFFAOYSA-N 1 1 500.952 6.584 1 0 KKAFMO Cc1cc(C(=O)Nc2ccc3c(ccn3[C@H]3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192989 562658676 /nfs/dbraw/zinc/65/86/76/562658676.db2.gz REMGAUDCEZSMLC-QFIPXVFZSA-N 1 1 514.523 6.575 1 0 KKAFMO C[NH+]1CCN([C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000045193773 562658770 /nfs/dbraw/zinc/65/87/70/562658770.db2.gz KBCIKVKKHVPZCU-RUZDIDTESA-N 1 1 526.468 5.242 1 0 KKAFMO COc1cccc(C[N@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)c1 ZINC000045193951 562658772 /nfs/dbraw/zinc/65/87/72/562658772.db2.gz BYINPTKLHJRKRJ-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO COc1cccc(CN2CCC[N@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)c1 ZINC000045193951 562658773 /nfs/dbraw/zinc/65/87/73/562658773.db2.gz BYINPTKLHJRKRJ-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO COc1cccc(CN2CCC[N@@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)c1 ZINC000045193951 562658774 /nfs/dbraw/zinc/65/87/74/562658774.db2.gz BYINPTKLHJRKRJ-UHFFFAOYSA-N 1 1 505.662 6.322 1 0 KKAFMO O=C(NC1CCC(CC[N@H+]2Cc3ccc(Br)cc3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045201002 562659018 /nfs/dbraw/zinc/65/90/18/562659018.db2.gz UQHXALRPRHIHEW-UHFFFAOYSA-N 1 1 504.472 6.206 1 0 KKAFMO O=C(NC1CCC(CC[N@@H+]2Cc3ccc(Br)cc3C2)CC1)c1cccc(-c2cccnc2)c1 ZINC000045201002 562659019 /nfs/dbraw/zinc/65/90/19/562659019.db2.gz UQHXALRPRHIHEW-UHFFFAOYSA-N 1 1 504.472 6.206 1 0 KKAFMO O=C(NCc1ccccn1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045211438 562659384 /nfs/dbraw/zinc/65/93/84/562659384.db2.gz ZNKBXKUQVCYCOP-JGCGQSQUSA-N 1 1 516.645 5.593 1 0 KKAFMO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045227661 562659440 /nfs/dbraw/zinc/65/94/40/562659440.db2.gz ZOXQYQOWAXKIKN-LJQANCHMSA-N 1 1 521.587 5.738 1 0 KKAFMO C[C@H](C[NH+]1CCN(C)CC1)C(=O)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045322593 562661101 /nfs/dbraw/zinc/66/11/01/562661101.db2.gz QFNWXBCCKJYIFU-LJQANCHMSA-N 1 1 521.587 5.738 1 0 KKAFMO O=C1C=C(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)/C(=C/c2ccc(O)cc2)O1 ZINC000045355135 562661875 /nfs/dbraw/zinc/66/18/75/562661875.db2.gz SSIHBARZQQFECU-NTFVMDSBSA-N 1 1 511.021 5.961 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045385639 562662393 /nfs/dbraw/zinc/66/23/93/562662393.db2.gz UUGGIAKGPDBAOH-UKJJDJLKSA-N 1 1 532.128 6.005 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045385639 562662394 /nfs/dbraw/zinc/66/23/94/562662394.db2.gz UUGGIAKGPDBAOH-UKJJDJLKSA-N 1 1 532.128 6.005 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c5cc(C(F)(F)F)cc6c5n4CCC6)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000045495500 562662628 /nfs/dbraw/zinc/66/26/28/562662628.db2.gz AHPVBZRCJFTJRY-KZNIJNHCSA-N 1 1 522.567 5.011 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(N(C)C)cc1 ZINC000045497056 562662707 /nfs/dbraw/zinc/66/27/07/562662707.db2.gz NVHDYZYBUOGTBZ-QCENPCRXSA-N 1 1 515.698 5.569 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(N(C)C)cc1 ZINC000045497056 562662708 /nfs/dbraw/zinc/66/27/08/562662708.db2.gz NVHDYZYBUOGTBZ-QCENPCRXSA-N 1 1 515.698 5.569 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(N(C)C)cc1 ZINC000045497058 562662742 /nfs/dbraw/zinc/66/27/42/562662742.db2.gz NVHDYZYBUOGTBZ-IZEXYCQBSA-N 1 1 515.698 5.569 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(N(C)C)cc1 ZINC000045497058 562662743 /nfs/dbraw/zinc/66/27/43/562662743.db2.gz NVHDYZYBUOGTBZ-IZEXYCQBSA-N 1 1 515.698 5.569 1 0 KKAFMO CCCn1c(C)c(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1 ZINC000049033756 562663447 /nfs/dbraw/zinc/66/34/47/562663447.db2.gz PZNBMHSUVCMXGX-UHFFFAOYSA-N 1 1 527.540 6.513 1 0 KKAFMO NC(=O)COc1c(C2CC[NH+](CCN3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc2c1CCCC2 ZINC000049605118 562665373 /nfs/dbraw/zinc/66/53/73/562665373.db2.gz NWZUPTOGVPQDGC-UHFFFAOYSA-N 1 1 676.824 6.437 1 0 KKAFMO Cc1cc2nc(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3F)[nH]c2cc1Cl ZINC000049605122 562665405 /nfs/dbraw/zinc/66/54/05/562665405.db2.gz NIQAEKHMTXZQNH-UHFFFAOYSA-N 1 1 540.470 5.926 1 0 KKAFMO CN1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2ccccc2Cl)CC1 ZINC000049605434 562665852 /nfs/dbraw/zinc/66/58/52/562665852.db2.gz LWFMUAXAOAOMSD-UHFFFAOYSA-N 1 1 624.276 5.582 1 0 KKAFMO C[NH+](C)CCOc1ccc(NC(=O)NC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1 ZINC000049605518 562665989 /nfs/dbraw/zinc/66/59/89/562665989.db2.gz SSHPLHRQFSBKPJ-UHFFFAOYSA-N 1 1 535.048 5.495 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 ZINC000049615364 562666612 /nfs/dbraw/zinc/66/66/12/562666612.db2.gz QMOQJOJQHDGNAC-UHFFFAOYSA-N 1 1 728.757 7.191 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049615798 562666724 /nfs/dbraw/zinc/66/67/24/562666724.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 1 1 686.827 6.492 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049615798 562666725 /nfs/dbraw/zinc/66/67/25/562666725.db2.gz YDIZADHESAVMGS-XZWHSSHBSA-N 1 1 686.827 6.492 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625515 562666780 /nfs/dbraw/zinc/66/67/80/562666780.db2.gz BZILAFGVDGIZFW-KRWDZBQOSA-N 1 1 602.612 6.648 1 0 KKAFMO COc1ccc([C@@H]2CC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c(OC)c1 ZINC000049625709 562666831 /nfs/dbraw/zinc/66/68/31/562666831.db2.gz YGZHXPNLNQZMNK-HSZRJFAPSA-N 1 1 536.072 5.609 1 0 KKAFMO CN1CCN(c2nc(NCCc3ccc(O)cc3)[nH+]c(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000049625777 562666886 /nfs/dbraw/zinc/66/68/86/562666886.db2.gz STDQHEZSDORGRW-UHFFFAOYSA-N 1 1 563.628 5.282 1 0 KKAFMO C[N@H+]1CCC[C@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626237 562667102 /nfs/dbraw/zinc/66/71/02/562667102.db2.gz ZFHWQEUJIOCMOL-SFHVURJKSA-N 1 1 555.904 6.480 1 0 KKAFMO Nc1[nH]c2c(ccnc2-c2[nH]c(Br)c(CCc3ccc(C(F)(F)F)cc3)c2Br)[nH+]1 ZINC000049695542 562670754 /nfs/dbraw/zinc/67/07/54/562670754.db2.gz GGXJBHYUAKGZKK-UHFFFAOYSA-N 1 1 529.158 5.864 1 0 KKAFMO Cc1ccc2c(c1)nc(N1CCN(C)CC1)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000049680007 562669069 /nfs/dbraw/zinc/66/90/69/562669069.db2.gz HNYXJJXAZKNSEF-UHFFFAOYSA-N 1 1 563.750 5.153 1 0 KKAFMO Nc1[nH]c2c(ccnc2-c2[nH]c(Br)c(CCc3ccccc3C(F)(F)F)c2Br)[nH+]1 ZINC000049694729 562669695 /nfs/dbraw/zinc/66/96/95/562669695.db2.gz LUSSDWCHBQOYGL-UHFFFAOYSA-N 1 1 529.158 5.864 1 0 KKAFMO C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000049694837 562669869 /nfs/dbraw/zinc/66/98/69/562669869.db2.gz UPMQYWQRMYEQLV-GOXGLGGOSA-N 1 1 582.712 6.188 1 0 KKAFMO C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000049694837 562669870 /nfs/dbraw/zinc/66/98/70/562669870.db2.gz UPMQYWQRMYEQLV-GOXGLGGOSA-N 1 1 582.712 6.188 1 0 KKAFMO O=C(NCc1cnc(N2CC[NH+](C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000049708605 562671016 /nfs/dbraw/zinc/67/10/16/562671016.db2.gz MZRRETNYTZMNMR-UHFFFAOYSA-N 1 1 607.413 6.412 1 0 KKAFMO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710912 562671846 /nfs/dbraw/zinc/67/18/46/562671846.db2.gz WZXINJTXKIEZPD-BVSLBCMMSA-N 1 1 572.364 6.586 1 0 KKAFMO CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@@H+]6[C@H]34)C5)c21 ZINC000049711066 562671906 /nfs/dbraw/zinc/67/19/06/562671906.db2.gz SNNODSZWAZYCAO-HOSLSIPZSA-N 1 1 604.883 7.985 1 0 KKAFMO CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCC[NH+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[N@H+]6[C@H]34)C5)c21 ZINC000049711066 562671907 /nfs/dbraw/zinc/67/19/07/562671907.db2.gz SNNODSZWAZYCAO-HOSLSIPZSA-N 1 1 604.883 7.985 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049711222 562672020 /nfs/dbraw/zinc/67/20/20/562672020.db2.gz VJIJTHLXSGTWCS-KONDSOJQSA-N 1 1 593.020 7.303 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722692 562672375 /nfs/dbraw/zinc/67/23/75/562672375.db2.gz WMOFZJZCOQWBCG-NVQXNPDNSA-N 1 1 546.539 6.035 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049722731 562672417 /nfs/dbraw/zinc/67/24/17/562672417.db2.gz YFJABXWNYRHAQJ-SERSOLAASA-N 1 1 621.074 8.083 1 0 KKAFMO CC(C)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723006 562672831 /nfs/dbraw/zinc/67/28/31/562672831.db2.gz CLPJRMRZKPOGDZ-WCLOKENTSA-N 1 1 545.555 6.655 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)c(OC[C@@H]5CCC[N@H+]5C)c4)cc3)c(C)c2)no1 ZINC000049723099 562672974 /nfs/dbraw/zinc/67/29/74/562672974.db2.gz FATALUFUHIMWIK-DEOSSOPVSA-N 1 1 608.480 6.350 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(I)c(OC[C@@H]5CCC[N@@H+]5C)c4)cc3)c(C)c2)no1 ZINC000049723099 562672975 /nfs/dbraw/zinc/67/29/75/562672975.db2.gz FATALUFUHIMWIK-DEOSSOPVSA-N 1 1 608.480 6.350 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)s3)nc2c1 ZINC000049745178 562673704 /nfs/dbraw/zinc/67/37/04/562673704.db2.gz OCSLRAQVINBTOG-UHFFFAOYSA-N 1 1 530.579 6.848 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756204 562674894 /nfs/dbraw/zinc/67/48/94/562674894.db2.gz UJBJAMOSBBJZBK-UHFFFAOYSA-N 1 1 570.719 5.684 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000049756671 562675179 /nfs/dbraw/zinc/67/51/79/562675179.db2.gz PIQNNSKBFMKWGB-UHFFFAOYSA-N 1 1 608.690 6.694 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1F ZINC000049756673 562675195 /nfs/dbraw/zinc/67/51/95/562675195.db2.gz WZTHBTBWYVSGPF-UHFFFAOYSA-N 1 1 593.128 6.468 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3F)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049757157 562675617 /nfs/dbraw/zinc/67/56/17/562675617.db2.gz IPIWNOAWKGRYOY-UHFFFAOYSA-N 1 1 558.683 5.814 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049762726 562676708 /nfs/dbraw/zinc/67/67/08/562676708.db2.gz YXKHZYNSINIHQT-HLADLETHSA-N 1 1 571.619 6.423 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)CC1CCCCC1 ZINC000049766844 562677276 /nfs/dbraw/zinc/67/72/76/562677276.db2.gz QZDVKRCKJBDEKO-UHFFFAOYSA-N 1 1 573.725 6.642 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049767263 562677508 /nfs/dbraw/zinc/67/75/08/562677508.db2.gz ZGTHJDQZGGIPLL-UHFFFAOYSA-N 1 1 575.138 6.328 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OS(=O)(=O)C[C@@]13CC[C@@H](CC1=O)C3(C)C)c2NC(C)(C)CC(C)(C)C ZINC000049767846 562677740 /nfs/dbraw/zinc/67/77/40/562677740.db2.gz RFQKEBORIUJYAZ-ICACTRECSA-N 1 1 565.780 7.040 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1CC1CCCCC1 ZINC000049775022 562678859 /nfs/dbraw/zinc/67/88/59/562678859.db2.gz QGNZYFIQHWYSHD-UHFFFAOYSA-N 1 1 567.605 7.293 1 0 KKAFMO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049777448 562680066 /nfs/dbraw/zinc/68/00/66/562680066.db2.gz OXNNHDABPVRMSB-KPKJPENVSA-N 1 1 571.471 6.552 1 0 KKAFMO CN(CCCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777956 562680699 /nfs/dbraw/zinc/68/06/99/562680699.db2.gz OTHBAGWCTBAQJP-LJZAYONRSA-N 1 1 595.571 7.324 1 0 KKAFMO O[C@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780194 562681405 /nfs/dbraw/zinc/68/14/05/562681405.db2.gz ZUFUIYOZVFSEPX-DYKQPOOOSA-N 1 1 542.723 6.714 1 0 KKAFMO COc1cccc(C[N@H+](C[C@@H](Cc2ccccc2)NC(=O)OCc2nccs2)C[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)c1 ZINC000049780322 562681615 /nfs/dbraw/zinc/68/16/15/562681615.db2.gz PEKRVEUKQJQVHP-IOWSJCHKSA-N 1 1 685.872 6.486 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2=C(C)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780764 562682256 /nfs/dbraw/zinc/68/22/56/562682256.db2.gz BADHBCVHOLJGHU-DIPNUNPCSA-N 1 1 639.878 6.264 1 0 KKAFMO CC(=O)NC(C)(C)[C@@H]1CC2(CCN(C(=O)[C@H]3C[N@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049793289 562684674 /nfs/dbraw/zinc/68/46/74/562684674.db2.gz KMNARKQYUZICHM-FULLSBAXSA-N 1 1 600.194 6.703 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3ncc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000049867220 562689352 /nfs/dbraw/zinc/68/93/52/562689352.db2.gz RLWWCATZTPAPKW-JIZBBPSKSA-N 1 1 541.736 6.194 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3c(ncnc3Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)s2)o1 ZINC000049867651 562689577 /nfs/dbraw/zinc/68/95/77/562689577.db2.gz VXPOFHMNNNIQLJ-UHFFFAOYSA-N 1 1 587.098 6.201 1 0 KKAFMO COc1cc2nccc(C[N@@H+]3CCc4c(cccc4C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)c2cc1OC ZINC000049881544 562690923 /nfs/dbraw/zinc/69/09/23/562690923.db2.gz VGQWJXMBZPYZDF-UHFFFAOYSA-N 1 1 555.984 6.735 1 0 KKAFMO COc1cc2nccc(C[N@H+]3CCc4c(cccc4C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)c2cc1OC ZINC000049881544 562690924 /nfs/dbraw/zinc/69/09/24/562690924.db2.gz VGQWJXMBZPYZDF-UHFFFAOYSA-N 1 1 555.984 6.735 1 0 KKAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2Cl)cc1 ZINC000049881715 562691075 /nfs/dbraw/zinc/69/10/75/562691075.db2.gz HWASIWRDDYUNPA-NRFANRHFSA-N 1 1 557.927 5.503 1 0 KKAFMO O=C(CN1CCCC1)Nc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4cccc(NC(=O)C[NH+]5CCCC5)c4)cc3)cc2)c1 ZINC000049889267 562691924 /nfs/dbraw/zinc/69/19/24/562691924.db2.gz NUBIJYMSASCUHP-UHFFFAOYSA-N 1 1 702.816 5.904 1 0 KKAFMO Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000049889525 562692160 /nfs/dbraw/zinc/69/21/60/562692160.db2.gz UVESBJXBNNCHGR-UHFFFAOYSA-N 1 1 578.684 5.753 1 0 KKAFMO Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3ccn12 ZINC000049889525 562692161 /nfs/dbraw/zinc/69/21/61/562692161.db2.gz UVESBJXBNNCHGR-UHFFFAOYSA-N 1 1 578.684 5.753 1 0 KKAFMO COc1cc(CN2CC[N@@H+]([C@@H](COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3)[C@H](Cc3ccccc3)C2)cc(OC)c1OC ZINC000049893063 562692253 /nfs/dbraw/zinc/69/22/53/562692253.db2.gz ONJMXWFIKVVLCT-SAIUNTKASA-N 1 1 702.736 8.437 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917559 562693596 /nfs/dbraw/zinc/69/35/96/562693596.db2.gz DPBDEJSHFAVZAV-RTWAWAEBSA-N 1 1 603.488 6.781 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000049917756 562693855 /nfs/dbraw/zinc/69/38/55/562693855.db2.gz AKJSKQCLCCZDJM-SOFGYWHQSA-N 1 1 573.352 6.235 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917856 562694019 /nfs/dbraw/zinc/69/40/19/562694019.db2.gz DJGWKTWKRTXWLC-RTWAWAEBSA-N 1 1 619.943 7.295 1 0 KKAFMO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCC[C@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917841 562694032 /nfs/dbraw/zinc/69/40/32/562694032.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 1 1 572.540 8.171 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCC[C@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917841 562694033 /nfs/dbraw/zinc/69/40/33/562694033.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 1 1 572.540 8.171 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCC[C@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917841 562694034 /nfs/dbraw/zinc/69/40/34/562694034.db2.gz HFKJHWPAGRWTTR-XMMPIXPASA-N 1 1 572.540 8.171 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000049917970 562694262 /nfs/dbraw/zinc/69/42/62/562694262.db2.gz DIURPLJNGKEPCI-SSVWKNEZSA-N 1 1 557.349 6.951 1 0 KKAFMO FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(NCC[NH+]4CCOCC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053293784 562697234 /nfs/dbraw/zinc/69/72/34/562697234.db2.gz NEMYMFDZNYNXME-UHFFFAOYSA-N 1 1 608.547 5.811 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(C)cc6c5)c4)CC3)CC2)CC1 ZINC000053297830 562697458 /nfs/dbraw/zinc/69/74/58/562697458.db2.gz AAUMYFSKLIODGA-UHFFFAOYSA-N 1 1 632.809 5.213 1 0 KKAFMO Cn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000055646883 562697736 /nfs/dbraw/zinc/69/77/36/562697736.db2.gz GSRFNZQXYDIODH-DEIXXNFJSA-N 1 1 554.779 5.939 1 0 KKAFMO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058487867 562698162 /nfs/dbraw/zinc/69/81/62/562698162.db2.gz YCICRBGKZHPFJT-NRUKRWIHSA-N 1 1 548.127 5.705 1 0 KKAFMO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058487867 562698163 /nfs/dbraw/zinc/69/81/63/562698163.db2.gz YCICRBGKZHPFJT-NRUKRWIHSA-N 1 1 548.127 5.705 1 0 KKAFMO Cc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000058575694 562699642 /nfs/dbraw/zinc/69/96/42/562699642.db2.gz LDXWEXQSCRPNPG-UHFFFAOYSA-N 1 1 505.877 5.892 1 0 KKAFMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000058643869 562701230 /nfs/dbraw/zinc/70/12/30/562701230.db2.gz CWPYEAPHWBNCJQ-DNQXCXABSA-N 1 1 518.529 5.820 1 0 KKAFMO COc1cc([C@@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000059744851 562702232 /nfs/dbraw/zinc/70/22/32/562702232.db2.gz UNKQRIKLJYKDOX-WIOPSUGQSA-N 1 1 587.713 6.757 3 0 KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059796297 562702297 /nfs/dbraw/zinc/70/22/97/562702297.db2.gz ALLKBIANVUTXDD-KOBWGQNTSA-N 1 1 511.591 7.184 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000059796279 562702328 /nfs/dbraw/zinc/70/23/28/562702328.db2.gz KWUONWKBBNMQAD-OWGSQAEBSA-N 1 1 567.651 8.181 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000059796435 562702381 /nfs/dbraw/zinc/70/23/81/562702381.db2.gz JTGKUZGKSYNODZ-FSOZDLKISA-N 1 1 500.642 6.557 3 0 KKAFMO O=C(OCc1cn([C@H]2C[N@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923663 562703511 /nfs/dbraw/zinc/70/35/11/562703511.db2.gz CXQUFXAIHBRRMW-PVHODMMVSA-N 1 1 509.050 5.218 3 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447506 562705388 /nfs/dbraw/zinc/70/53/88/562705388.db2.gz BWLFYVMGFWJXLQ-BNMUCDHPSA-N 1 1 550.106 6.765 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)cc1 ZINC000064448391 562705498 /nfs/dbraw/zinc/70/54/98/562705498.db2.gz OKZWPEYBUNXJRT-VXKWHMMOSA-N 1 1 516.584 5.033 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2c1cc(F)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448390 562705504 /nfs/dbraw/zinc/70/55/04/562705504.db2.gz TUDBQXAJQWDULL-ZCVJKFOLSA-N 1 1 515.596 5.948 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2CC[C@]3(C2)CCCc2cc(Br)ccc23)n1C ZINC000064514029 562706528 /nfs/dbraw/zinc/70/65/28/562706528.db2.gz LJOIJDZCFSDRBE-QHCPKHFHSA-N 1 1 502.482 5.003 1 0 KKAFMO COc1ccc(C2(CCC[N@H+]3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549896 562708172 /nfs/dbraw/zinc/70/81/72/562708172.db2.gz YACCVVUNICRPSW-HKBQPEDESA-N 1 1 531.693 5.872 1 0 KKAFMO CC(C)(C(=O)Nc1ccc(N2CCC3(CC[N@@H+](CC4CC4)C3)CC2)c(Cl)c1)c1nccc(C(F)(F)F)n1 ZINC000064559266 562708408 /nfs/dbraw/zinc/70/84/08/562708408.db2.gz PZAIVSQWZAHADG-UHFFFAOYSA-N 1 1 536.042 5.767 1 0 KKAFMO CC1(C)COC(CCC[N@H+]2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559935 562708449 /nfs/dbraw/zinc/70/84/49/562708449.db2.gz KGQQZJWWWKYPSC-PMERELPUSA-N 1 1 519.657 6.002 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593837 562708806 /nfs/dbraw/zinc/70/88/06/562708806.db2.gz VOTBTNSFNLURLT-OETVIHDQSA-N 1 1 568.639 7.576 3 0 KKAFMO CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)[N@H+]2CCC[C@@H]2[C@]12c1cccc3cccc(c13)C2=O ZINC000066075873 562710047 /nfs/dbraw/zinc/71/00/47/562710047.db2.gz XPNVWCRSEYTHES-QJHFLPEYSA-N 1 1 602.687 5.171 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077231 562710295 /nfs/dbraw/zinc/71/02/95/562710295.db2.gz JRVSGBSKZMZOOC-XIFFEERXSA-N 1 1 646.898 5.470 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCCCC3)n2)CC1 ZINC000066077895 562710349 /nfs/dbraw/zinc/71/03/49/562710349.db2.gz GAXVQZHUACKDFT-UHFFFAOYSA-N 1 1 530.080 5.303 1 0 KKAFMO O=C(CN1CCCC1)Nc1ccc(C(c2ccc(F)cc2)(c2ccc(NC(=O)C[NH+]3CCCC3)cc2)C(F)(F)F)cc1 ZINC000066098212 562710902 /nfs/dbraw/zinc/71/09/02/562710902.db2.gz HHBVDYJPPQZRKS-UHFFFAOYSA-N 1 1 582.642 5.791 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3cccc(Nc4ccnc5cc(Cl)ccc54)c3)n2)CC1 ZINC000066098848 562711022 /nfs/dbraw/zinc/71/10/22/562711022.db2.gz OIHNGCCGQMOIEQ-UHFFFAOYSA-N 1 1 538.059 6.056 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066136525 562713150 /nfs/dbraw/zinc/71/31/50/562713150.db2.gz NAFLFKJXMLUGLF-MHPIHPPYSA-N 1 1 603.604 5.267 3 0 KKAFMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)[nH]c43)c3oc4ccccc4c32)C[C@H](C)O1 ZINC000066258629 562714994 /nfs/dbraw/zinc/71/49/94/562714994.db2.gz RGJHDNWUJGGDSL-SZPZYZBQSA-N 1 1 580.685 5.369 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2S(N)(=O)=O)CC1 ZINC000071282015 562716754 /nfs/dbraw/zinc/71/67/54/562716754.db2.gz XADCPFZWWNPNJO-ULJKERAFSA-N 1 1 611.812 5.424 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCCNC(=O)c2cccc(Cl)c2)cc1 ZINC000071318215 562718417 /nfs/dbraw/zinc/71/84/17/562718417.db2.gz IJZXDBMVGXKQFO-LBNVMWSVSA-N 1 1 537.100 5.834 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CCC[N@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719538 /nfs/dbraw/zinc/71/95/38/562719538.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 1 1 578.835 5.167 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)CN(C)CCC[N@@H+](C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719539 /nfs/dbraw/zinc/71/95/39/562719539.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 1 1 578.835 5.167 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@@H+](C)CCCN(C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719540 /nfs/dbraw/zinc/71/95/40/562719540.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 1 1 578.835 5.167 1 0 KKAFMO C[C@H]1C=C(CCCCCCC[C@@H](O)C[N@H+](C)CCCN(C)C[C@@H](O)CCCCCCCC2=C[C@H](C)OC2=O)C(=O)O1 ZINC000071333989 562719541 /nfs/dbraw/zinc/71/95/41/562719541.db2.gz DUVCBEMHQGRCPF-QQPIMWAISA-N 1 1 578.835 5.167 1 0 KKAFMO COc1ccccc1/C=C1\C[N@@H+](C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1OC ZINC000071341229 562719937 /nfs/dbraw/zinc/71/99/37/562719937.db2.gz VHYNUZUMDXUILC-BHAFLUAZSA-N 1 1 569.061 6.132 1 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1F ZINC000072104741 562720625 /nfs/dbraw/zinc/72/06/25/562720625.db2.gz MGVXWYWPTRCBBB-UHFFFAOYSA-N 1 1 532.491 5.521 1 0 KKAFMO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1C(F)(F)F ZINC000072105169 562720691 /nfs/dbraw/zinc/72/06/91/562720691.db2.gz MSQQFXAHWKXSCA-UHFFFAOYSA-N 1 1 554.444 5.757 1 0 KKAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2cccnc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110879 562721835 /nfs/dbraw/zinc/72/18/35/562721835.db2.gz WZCBXBZTJJQFLE-UHFFFAOYSA-N 1 1 668.726 5.917 1 0 KKAFMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2cccnc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000072110879 562721836 /nfs/dbraw/zinc/72/18/36/562721836.db2.gz WZCBXBZTJJQFLE-UHFFFAOYSA-N 1 1 668.726 5.917 1 0 KKAFMO CCCc1cn(CCCCCCCCn2cc(CCCOc3ccc(C[NH+]4CCN(c5ccccc5OC)CC4)cc3OC)nn2)nn1 ZINC000072110924 562721864 /nfs/dbraw/zinc/72/18/64/562721864.db2.gz RRSNTPLBDRZYRF-UHFFFAOYSA-N 1 1 658.892 6.214 1 0 KKAFMO C[C@@H]1CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111343 562721930 /nfs/dbraw/zinc/72/19/30/562721930.db2.gz PJFNGAJTUJXYCG-GNMZEDAFSA-N 1 1 642.769 7.962 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(S(=O)(=O)c6ccc(C(F)(F)F)cc6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072112006 562721970 /nfs/dbraw/zinc/72/19/70/562721970.db2.gz SQXPCXGECQWMOK-AWDKGCGGSA-N 1 1 596.756 5.355 1 0 KKAFMO C[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112583 562722111 /nfs/dbraw/zinc/72/21/11/562722111.db2.gz CVQACAZVGMEGHZ-MBGPZUCASA-N 1 1 541.220 6.578 1 0 KKAFMO C[C@@H]1CN(Cc2cccnc2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112582 562722141 /nfs/dbraw/zinc/72/21/41/562722141.db2.gz BOTVTRFOBIZTJI-PNVPDAQQSA-N 1 1 507.763 5.319 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCOCC2)c(OC(C)C)c1 ZINC000072113435 562722400 /nfs/dbraw/zinc/72/24/00/562722400.db2.gz ALKDDWSRPFXJJZ-JSOSNVBQSA-N 1 1 596.555 6.583 1 0 KKAFMO Cc1cc(OS(=O)(=O)c2ccccc2)cc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](CNS(=O)(=O)c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000072123788 562725052 /nfs/dbraw/zinc/72/50/52/562725052.db2.gz GCFLTOHGDAHARG-IWWXRALLSA-N 1 1 687.884 5.227 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4cc(Br)c(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000072125929 562725274 /nfs/dbraw/zinc/72/52/74/562725274.db2.gz QEUMZRGQWVOUCP-FPHSBRQASA-N 1 1 546.546 5.176 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126775 562725358 /nfs/dbraw/zinc/72/53/58/562725358.db2.gz SUUNCWUXVWQQTA-ZYADHFCISA-N 1 1 670.005 6.129 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000072127652 562725766 /nfs/dbraw/zinc/72/57/66/562725766.db2.gz HMCLAGFKTYIJCB-KECSPFHLSA-N 1 1 648.726 6.784 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127660 562725777 /nfs/dbraw/zinc/72/57/77/562725777.db2.gz KDYSWVIVVGBOTF-BBACVFHCSA-N 1 1 686.004 5.835 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000072128774 562726327 /nfs/dbraw/zinc/72/63/27/562726327.db2.gz IYBHNCDTZRPADL-FITHBNAOSA-N 1 1 664.247 6.217 1 0 KKAFMO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134158 562727259 /nfs/dbraw/zinc/72/72/59/562727259.db2.gz SBLSCNQSOAHLKU-LEIVTSANSA-N 1 1 662.856 6.867 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138196 562728711 /nfs/dbraw/zinc/72/87/11/562728711.db2.gz JGXAZWMUHRDECC-ZLRJYYBNSA-N 1 1 525.693 5.335 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072141024 562729247 /nfs/dbraw/zinc/72/92/47/562729247.db2.gz GLCILIXBJHCTML-SPWOZAQASA-N 1 1 720.021 6.031 3 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCC[N@@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172006 562730553 /nfs/dbraw/zinc/73/05/53/562730553.db2.gz QQLMRUWZPSJDOW-HSZRJFAPSA-N 1 1 544.604 5.211 1 0 KKAFMO CC(C)c1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@H+](C)CC4)n2)s1 ZINC000072176153 562731568 /nfs/dbraw/zinc/73/15/68/562731568.db2.gz KLEUWSFCKXAIKJ-UHFFFAOYSA-N 1 1 596.782 6.923 1 0 KKAFMO COc1ccc(C[NH2+][C@H](c2nc(Cc3ccccc3)c(N3CCCCC3)o2)C2CCCCC2)cc1OC ZINC000072184953 562732965 /nfs/dbraw/zinc/73/29/65/562732965.db2.gz FTDHQODYGRMCHK-LJAQVGFWSA-N 1 1 503.687 6.684 1 0 KKAFMO Cc1nc(Nc2ccc3sc(C(=O)Nc4c(C)cccc4Cl)cc3c2)cc(N2CC[NH+](CCO)CC2)n1 ZINC000073196763 562735159 /nfs/dbraw/zinc/73/51/59/562735159.db2.gz JKCOYKGHHVNNOG-UHFFFAOYSA-N 1 1 537.089 5.072 1 0 KKAFMO Cc1nc(Nc2ccc3sc(C(=O)Nc4c(C)cccc4Cl)cc3c2)cc(N2CCC(C)CC2)[nH+]1 ZINC000073196764 562735192 /nfs/dbraw/zinc/73/51/92/562735192.db2.gz RFSUMYGPNITXNQ-UHFFFAOYSA-N 1 1 506.075 7.194 1 0 KKAFMO Cc1nc(N2CCC(C)CC2)cc(Nc2ccc3sc(C(=O)Nc4c(C)cccc4Cl)cc3c2)[nH+]1 ZINC000073196764 562735193 /nfs/dbraw/zinc/73/51/93/562735193.db2.gz RFSUMYGPNITXNQ-UHFFFAOYSA-N 1 1 506.075 7.194 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369118 562738365 /nfs/dbraw/zinc/73/83/65/562738365.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000073369118 562738366 /nfs/dbraw/zinc/73/83/66/562738366.db2.gz VUZCEBRTLDDSDP-FQLXRVMXSA-N 1 1 606.719 6.874 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N[C@@H](C)C(=O)N2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000082140747 562739550 /nfs/dbraw/zinc/73/95/50/562739550.db2.gz WLBDSWQRBJBOCD-VHCCWIOHSA-N 1 1 652.623 6.206 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000082140769 562739620 /nfs/dbraw/zinc/73/96/20/562739620.db2.gz WTNGIVMYNDNEKS-ZWXJPIIXSA-N 1 1 652.623 6.208 1 0 KKAFMO COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N[C@H](C)C(=O)N2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000082153003 562740123 /nfs/dbraw/zinc/74/01/23/562740123.db2.gz WLBDSWQRBJBOCD-OGZQLISNSA-N 1 1 652.623 6.206 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157522 562740953 /nfs/dbraw/zinc/74/09/53/562740953.db2.gz UUJNEICCDMYHRP-FHPVIJFVSA-N 1 1 705.889 5.419 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165061 562741323 /nfs/dbraw/zinc/74/13/23/562741323.db2.gz YPTCVVCGFGDLDX-FJQKOURKSA-N 1 1 709.852 5.249 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165082 562741326 /nfs/dbraw/zinc/74/13/26/562741326.db2.gz QXSAFGQAHODVKD-VBTAUBHQSA-N 1 1 726.307 5.764 1 0 KKAFMO COc1cc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000084382908 562742869 /nfs/dbraw/zinc/74/28/69/562742869.db2.gz AJCJXSGRPPDWCF-WJOKGBTCSA-N 1 1 580.125 5.086 1 0 KKAFMO COc1cc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000084382908 562742870 /nfs/dbraw/zinc/74/28/70/562742870.db2.gz AJCJXSGRPPDWCF-WJOKGBTCSA-N 1 1 580.125 5.086 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084512944 562743257 /nfs/dbraw/zinc/74/32/57/562743257.db2.gz QTGSINBFNYAXSI-HYRLGQOJSA-N 1 1 546.731 5.637 1 0 KKAFMO CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595490 562743642 /nfs/dbraw/zinc/74/36/42/562743642.db2.gz JQPRDWQRAAFLTI-AUFCLJJTSA-N 1 1 616.866 7.325 1 0 KKAFMO Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(N3CC[NH+](CCOc4ccccc4)CC3)n2)cc1F ZINC000084614991 562744427 /nfs/dbraw/zinc/74/44/27/562744427.db2.gz JHEASVVDMGDTRX-UHFFFAOYSA-N 1 1 539.537 5.116 1 0 KKAFMO COc1ccc(C(=O)N(CC[C@H]2CCC[N@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000084616113 562744573 /nfs/dbraw/zinc/74/45/73/562744573.db2.gz OEXJNJYSGHNLML-FUAYJARZSA-N 1 1 508.556 5.892 1 0 KKAFMO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000084632229 562745454 /nfs/dbraw/zinc/74/54/54/562745454.db2.gz OYAJBCNCCCHJQB-PTTLIBFYSA-N 1 1 618.838 6.816 1 0 KKAFMO COC(=O)[C@H](CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632228 562745463 /nfs/dbraw/zinc/74/54/63/562745463.db2.gz QLDJHSRGZNOSDW-PNWZFYCNSA-N 1 1 568.705 5.683 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670039 562748168 /nfs/dbraw/zinc/74/81/68/562748168.db2.gz KNVRDGWTVXRYGM-FZDZPQDGSA-N 1 1 664.809 9.899 1 0 KKAFMO Cc1[nH+]c(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2CC(C)(C)C)s1 ZINC000084688148 562749104 /nfs/dbraw/zinc/74/91/04/562749104.db2.gz XRVMWCQRRWXUAB-BSFFKKCJSA-N 1 1 646.736 5.632 1 0 KKAFMO O[C@](Cn1cncn1)(C[N@@H+](CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000084706902 562750030 /nfs/dbraw/zinc/75/00/30/562750030.db2.gz DYDKUOPDSUSUNV-MHZLTWQESA-N 1 1 575.429 5.317 1 0 KKAFMO O[C@](Cn1cncn1)(C[N@@H+](CCCOc1ccc(Br)cc1)Cc1ccccc1)c1ccc(F)cc1F ZINC000084706913 562750053 /nfs/dbraw/zinc/75/00/53/562750053.db2.gz YVAARLQPHDLJTB-MHZLTWQESA-N 1 1 557.439 5.178 1 0 KKAFMO COc1cc(Cc2c[nH+]c(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3[C@H]2Cc2ccc(OC(F)(F)F)cc2)c1OC ZINC000084708096 562750182 /nfs/dbraw/zinc/75/01/82/562750182.db2.gz WTJKNEKEWGRQTK-CJVCNUQRSA-N 1 1 618.616 5.321 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724585 562751180 /nfs/dbraw/zinc/75/11/80/562751180.db2.gz WNGXMRNNQVTALF-IPKHWOJUSA-N 1 1 599.134 8.246 1 0 KKAFMO O=C(CN1CCCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)C[NH+]7CCCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084725221 562751252 /nfs/dbraw/zinc/75/12/52/562751252.db2.gz MTKRJYRPSLSHBS-UHFFFAOYSA-N 1 1 694.844 6.184 1 0 KKAFMO COc1cc(CNC[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000084758695 562752738 /nfs/dbraw/zinc/75/27/38/562752738.db2.gz YHGLBPUDIFJMHI-XMMPIXPASA-N 1 1 552.706 6.795 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCc3ccccc3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000084923890 562753126 /nfs/dbraw/zinc/75/31/26/562753126.db2.gz ICKSMOFDKBVDMB-JJZPZGAKSA-N 1 1 552.715 5.947 1 0 KKAFMO CN(CCNC(=O)CCC(=O)NCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536808 562754163 /nfs/dbraw/zinc/75/41/63/562754163.db2.gz LCYYYKXWTFZHIV-UHFFFAOYSA-N 1 1 791.740 5.692 1 0 KKAFMO CN(CCNC(=O)CCC(=O)NCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095536808 562754164 /nfs/dbraw/zinc/75/41/64/562754164.db2.gz LCYYYKXWTFZHIV-UHFFFAOYSA-N 1 1 791.740 5.692 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538474 562754825 /nfs/dbraw/zinc/75/48/25/562754825.db2.gz PUUSAKGGLAKPAJ-HXBCBVSGSA-N 1 1 824.832 6.921 1 0 KKAFMO CCOc1cccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000095540340 562755662 /nfs/dbraw/zinc/75/56/62/562755662.db2.gz RGIPYCSQKBJEOA-YAYDYDRESA-N 1 1 604.811 6.426 1 0 KKAFMO CCOC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H]([NH+]2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000095540786 562756025 /nfs/dbraw/zinc/75/60/25/562756025.db2.gz FVELAOWOPKGPFE-ICTDUYRTSA-N 1 1 743.497 5.075 1 0 KKAFMO CC[N@H+]1CCC[C@@H](CC(=O)N[C@@]2(c3ccc(Cl)c(Cl)c3)C(=O)Nc3cc(Cl)cc(Cl)c32)C1 ZINC000095552802 562760755 /nfs/dbraw/zinc/76/07/55/562760755.db2.gz JAYGZFPMNNIDPY-ZAMGYDSWSA-N 1 1 515.268 5.734 1 0 KKAFMO Nc1sc(-c2ccc(F)cc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556548 562761801 /nfs/dbraw/zinc/76/18/01/562761801.db2.gz OQEQTBLBOYOKHL-UHFFFAOYSA-N 1 1 524.036 6.482 1 0 KKAFMO Clc1cccc([C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(CN3CCOCC3)c(Cl)c2)c1 ZINC000095556917 562761919 /nfs/dbraw/zinc/76/19/19/562761919.db2.gz DCINFVNJKNZNQQ-HHHXNRCGSA-N 1 1 512.868 7.229 1 0 KKAFMO CCCCc1sc(-c2ccc(OCCC[NH+]3CCOCC3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559104 562762654 /nfs/dbraw/zinc/76/26/54/562762654.db2.gz FSEBOTYRPJMRBQ-UHFFFAOYSA-N 1 1 563.163 8.367 1 0 KKAFMO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)c(C)c1 ZINC000095560377 562763019 /nfs/dbraw/zinc/76/30/19/562763019.db2.gz DQBZWFHJDGWRNU-NJDYKEBGSA-N 1 1 522.733 6.577 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095564830 562764465 /nfs/dbraw/zinc/76/44/65/562764465.db2.gz GFVNWDBMZVYSCS-PDOBOUQHSA-N 1 1 694.833 5.455 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095565750 562764662 /nfs/dbraw/zinc/76/46/62/562764662.db2.gz KPNIWBUOMWGGPJ-MKVNITDJSA-N 1 1 698.692 6.455 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566440 562765034 /nfs/dbraw/zinc/76/50/34/562765034.db2.gz ILRCCMQCDZZMAZ-ZLEIESQFSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095566618 562765169 /nfs/dbraw/zinc/76/51/69/562765169.db2.gz MHRHAZBEGDUPII-KXLVQTRWSA-N 1 1 621.778 5.941 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095566734 562765202 /nfs/dbraw/zinc/76/52/02/562765202.db2.gz KARWDBSITYBCDY-LRZFZUCMSA-N 1 1 605.607 5.729 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566808 562765330 /nfs/dbraw/zinc/76/53/30/562765330.db2.gz ACSVFUACEODJDN-NCLPYWGKSA-N 1 1 594.712 5.478 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567194 562765584 /nfs/dbraw/zinc/76/55/84/562765584.db2.gz AGQRDMGTSVKJPI-UMQWNRPGSA-N 1 1 599.654 5.025 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567205 562765594 /nfs/dbraw/zinc/76/55/94/562765594.db2.gz SFPDDQJJHIODOQ-JJWUTGECSA-N 1 1 649.619 7.072 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567326 562765658 /nfs/dbraw/zinc/76/56/58/562765658.db2.gz CGLNLVFPHXEQAP-DRGJWEBESA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567452 562765778 /nfs/dbraw/zinc/76/57/78/562765778.db2.gz FZTSQENAZFZQAT-KECSPFHLSA-N 1 1 718.777 6.536 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095567434 562765809 /nfs/dbraw/zinc/76/58/09/562765809.db2.gz LHPQGQHPHMSMSB-DOKVQHETSA-N 1 1 640.841 6.777 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567412 562765812 /nfs/dbraw/zinc/76/58/12/562765812.db2.gz DWBBIMOOPOSMMP-NIAOJTHTSA-N 1 1 617.549 6.058 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567640 562765985 /nfs/dbraw/zinc/76/59/85/562765985.db2.gz ACSVFUACEODJDN-VJQVOXFUSA-N 1 1 594.712 5.478 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567829 562766150 /nfs/dbraw/zinc/76/61/50/562766150.db2.gz YDQHBDWJWTWAAY-PHKGMDLESA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568123 562766323 /nfs/dbraw/zinc/76/63/23/562766323.db2.gz RAWKXIVYXKZPFJ-LRZFZUCMSA-N 1 1 616.656 5.770 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568245 562766472 /nfs/dbraw/zinc/76/64/72/562766472.db2.gz USVAWBHVHLMWLD-XZTSFBBGSA-N 1 1 658.799 7.628 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568466 562766668 /nfs/dbraw/zinc/76/66/68/562766668.db2.gz VFUMNYRTPAPJFI-SBCJZHDBSA-N 1 1 627.807 5.815 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568466 562766669 /nfs/dbraw/zinc/76/66/69/562766669.db2.gz VFUMNYRTPAPJFI-SBCJZHDBSA-N 1 1 627.807 5.815 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095568654 562766772 /nfs/dbraw/zinc/76/67/72/562766772.db2.gz FUZWWGXSJONWBM-OSOCVKALSA-N 1 1 652.636 6.720 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095568667 562766784 /nfs/dbraw/zinc/76/67/84/562766784.db2.gz KVYNYDNSHYPGTF-ZIZQKJAQSA-N 1 1 669.785 6.885 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568943 562767027 /nfs/dbraw/zinc/76/70/27/562767027.db2.gz ISYWMCSQLOVTPH-TVMHKENRSA-N 1 1 643.829 5.078 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569005 562767068 /nfs/dbraw/zinc/76/70/68/562767068.db2.gz UMHMSOGVZPYYOP-CAMFVRPXSA-N 1 1 716.883 5.475 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569207 562767314 /nfs/dbraw/zinc/76/73/14/562767314.db2.gz QQBXNGROOKAAKB-IKBQMQIHSA-N 1 1 669.745 5.083 1 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095569396 562767389 /nfs/dbraw/zinc/76/73/89/562767389.db2.gz KPWIEHUIZOJQLP-ACHOWJBZSA-N 1 1 680.806 5.526 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095569675 562767582 /nfs/dbraw/zinc/76/75/82/562767582.db2.gz GIJXROWDOWXZEB-VBEKBXFHSA-N 1 1 676.726 7.440 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569742 562767634 /nfs/dbraw/zinc/76/76/34/562767634.db2.gz NKYSZIASVRRVQA-ACIJXJFPSA-N 1 1 705.900 6.816 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569822 562767739 /nfs/dbraw/zinc/76/77/39/562767739.db2.gz GFBGNCUTLBGSKQ-AZAGJHQNSA-N 1 1 690.763 7.423 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569919 562767765 /nfs/dbraw/zinc/76/77/65/562767765.db2.gz NAHHEMFFHMWNRU-GTNJKRJXSA-N 1 1 584.639 5.702 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095569923 562767830 /nfs/dbraw/zinc/76/78/30/562767830.db2.gz FORWBLLIOZUMCF-FONBTEPMSA-N 1 1 653.632 6.721 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570028 562767882 /nfs/dbraw/zinc/76/78/82/562767882.db2.gz HEPUKTRJNLXBPT-XUJRGEPCSA-N 1 1 673.832 5.569 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570171 562767981 /nfs/dbraw/zinc/76/79/81/562767981.db2.gz DTGXRBNGNVLSQA-AWVJATPHSA-N 1 1 672.911 7.791 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095570123 562767986 /nfs/dbraw/zinc/76/79/86/562767986.db2.gz GQPLODGYDYCVNT-KSWJDTNCSA-N 1 1 650.625 5.084 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570315 562768143 /nfs/dbraw/zinc/76/81/43/562768143.db2.gz GQWDZONLPIYMSR-RCFCZGBRSA-N 1 1 672.826 7.557 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570507 562768283 /nfs/dbraw/zinc/76/82/83/562768283.db2.gz SFPDDQJJHIODOQ-SOTYFPCESA-N 1 1 649.619 7.072 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570767 562768504 /nfs/dbraw/zinc/76/85/04/562768504.db2.gz KHFPDWFEACXBKS-SFXKCFQESA-N 1 1 678.251 6.214 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570914 562768620 /nfs/dbraw/zinc/76/86/20/562768620.db2.gz WVAVZXUUZRXWFN-XIWHWFKQSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095571265 562768933 /nfs/dbraw/zinc/76/89/33/562768933.db2.gz YEMFTFQZFYNTOU-CEFNRUSXSA-N 1 1 634.699 6.855 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)[N@@H+](CCc2ccccc2)C[C@H]1C ZINC000095571566 562769099 /nfs/dbraw/zinc/76/90/99/562769099.db2.gz ONZMGLOOFFOJCP-BOYVUMAVSA-N 1 1 550.744 5.190 3 0 KKAFMO Cc1cccc(C(=O)c2c3ccccc3oc2-c2cccc(OCCCCCCC[N@H+](C)Cc3ccccc3)c2)c1 ZINC000095573222 562769640 /nfs/dbraw/zinc/76/96/40/562769640.db2.gz SZKDUJMZXBJYTO-UHFFFAOYSA-N 1 1 545.723 9.101 1 0 KKAFMO O=C(Cc1ccccc1)O[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000095575246 562770233 /nfs/dbraw/zinc/77/02/33/562770233.db2.gz RDEXMUKWTMRQJX-WGKBJPKESA-N 1 1 605.134 6.600 1 0 KKAFMO COc1ccccc1C(=O)c1c2ccccc2oc1-c1cccc(OCCCCCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000095577857 562771108 /nfs/dbraw/zinc/77/11/08/562771108.db2.gz JLERCSLLIVKOQE-UHFFFAOYSA-N 1 1 561.722 8.801 1 0 KKAFMO CNC(=O)Oc1cccc(C[N@@H+](C)CCCCCCCOc2ccc(-c3oc4ccccc4c3C(=O)c3ccc(C)cc3)cc2)c1 ZINC000095577855 562771110 /nfs/dbraw/zinc/77/11/10/562771110.db2.gz AQUBWCPEKBRMKW-UHFFFAOYSA-N 1 1 618.774 8.819 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000095586345 562773958 /nfs/dbraw/zinc/77/39/58/562773958.db2.gz IDDJPXYCZPKFEP-UHFFFAOYSA-N 1 1 562.114 7.307 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095588256 562774586 /nfs/dbraw/zinc/77/45/86/562774586.db2.gz ZKDPLGCYQFJQOI-UHFFFAOYSA-N 1 1 611.665 7.552 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Oc3ccc(-c4nc(-c5cccc(O)c5)cs4)cn3)cc1)CC2 ZINC000095590059 562775184 /nfs/dbraw/zinc/77/51/84/562775184.db2.gz RBWQOGHTXCLCOW-UHFFFAOYSA-N 1 1 551.668 6.946 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(Oc3ccc(-c4nc(-c5cccc(O)c5)cs4)cn3)cc1)CC2 ZINC000095590059 562775183 /nfs/dbraw/zinc/77/51/83/562775183.db2.gz RBWQOGHTXCLCOW-UHFFFAOYSA-N 1 1 551.668 6.946 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095590810 562775403 /nfs/dbraw/zinc/77/54/03/562775403.db2.gz UWQSTMMMGWPUKC-UHFFFAOYSA-N 1 1 597.638 7.162 1 0 KKAFMO Cc1ccc2[nH+]c(-c3ccc(OCCCNC(=O)Nc4ccc(C(F)(F)F)cc4)cc3)c(NC3CCCCC3)n2c1 ZINC000095590955 562775424 /nfs/dbraw/zinc/77/54/24/562775424.db2.gz KJMDNHZVPHKCMK-UHFFFAOYSA-N 1 1 565.640 7.664 1 0 KKAFMO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4sc([C@H](O)C(F)(F)F)cc4c3)[nH]2)cc1 ZINC000095591562 562775668 /nfs/dbraw/zinc/77/56/68/562775668.db2.gz RAAVZRCTBRDFFN-SANMLTNESA-N 1 1 538.595 6.557 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095592770 562776015 /nfs/dbraw/zinc/77/60/15/562776015.db2.gz NJGRAUIMWPFJGV-HFNBOTBWSA-N 1 1 507.715 5.338 1 0 KKAFMO Cc1ccc(-c2ccc(Cn3cc[nH+]c3Cn3c4c(c(=O)nc3SCc3ccc(F)cc3)CCC4)cc2)cc1 ZINC000095592780 562776038 /nfs/dbraw/zinc/77/60/38/562776038.db2.gz DQWDZLRDNATJCX-UHFFFAOYSA-N 1 1 536.676 6.432 1 0 KKAFMO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCc3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3C2)c1 ZINC000095596807 562777068 /nfs/dbraw/zinc/77/70/68/562777068.db2.gz ICFMEAPVRDQOKG-UWXQCODUSA-N 1 1 683.853 5.589 1 0 KKAFMO O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCc3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)cc3C2)c1 ZINC000095596807 562777069 /nfs/dbraw/zinc/77/70/69/562777069.db2.gz ICFMEAPVRDQOKG-UWXQCODUSA-N 1 1 683.853 5.589 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598773 562777530 /nfs/dbraw/zinc/77/75/30/562777530.db2.gz ORTMWWQHMCADOR-YDLQOJJBSA-N 1 1 741.178 7.375 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095599082 562777759 /nfs/dbraw/zinc/77/77/59/562777759.db2.gz KVYNYDNSHYPGTF-NSWWAWACSA-N 1 1 669.785 6.885 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599196 562777822 /nfs/dbraw/zinc/77/78/22/562777822.db2.gz UIKXZKCHSBRXDR-WYOWBBOASA-N 1 1 705.840 6.434 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599418 562778071 /nfs/dbraw/zinc/77/80/71/562778071.db2.gz ZBBNPLMVFVREHD-WMVXZGOPSA-N 1 1 719.867 6.742 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599522 562778133 /nfs/dbraw/zinc/77/81/33/562778133.db2.gz UQRVVYXDOOLUAO-FXKJGQKXSA-N 1 1 723.830 6.573 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095599568 562778188 /nfs/dbraw/zinc/77/81/88/562778188.db2.gz KVYNYDNSHYPGTF-CBUCOWSNSA-N 1 1 669.785 6.885 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599630 562778232 /nfs/dbraw/zinc/77/82/32/562778232.db2.gz LFZLAWVTNRSJHJ-PUNARZIMSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095599914 562778425 /nfs/dbraw/zinc/77/84/25/562778425.db2.gz JUFFYBBKNFKMBH-OXYPMYLPSA-N 1 1 627.704 6.041 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095600017 562778574 /nfs/dbraw/zinc/77/85/74/562778574.db2.gz YDQHBDWJWTWAAY-QPPRZBLKSA-N 1 1 642.675 5.359 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600275 562778761 /nfs/dbraw/zinc/77/87/61/562778761.db2.gz ZBBNPLMVFVREHD-BGNUVLEZSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600653 562779099 /nfs/dbraw/zinc/77/90/99/562779099.db2.gz RBOAJFBNHJWMOW-VUYBWUDLSA-N 1 1 684.800 7.277 1 0 KKAFMO COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)[N@H+](Cc2ccccc2OC)[C@@H]1c1cccc(Br)c1 ZINC000095600647 562779108 /nfs/dbraw/zinc/77/91/08/562779108.db2.gz RTYUVRGRMOQZSZ-QEOWIOIWSA-N 1 1 564.476 5.819 3 0 KKAFMO COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)[N@@H+](Cc2ccccc2OC)[C@@H]1c1cccc(Br)c1 ZINC000095600647 562779109 /nfs/dbraw/zinc/77/91/09/562779109.db2.gz RTYUVRGRMOQZSZ-QEOWIOIWSA-N 1 1 564.476 5.819 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600949 562779383 /nfs/dbraw/zinc/77/93/83/562779383.db2.gz KHFPDWFEACXBKS-XLCATFGMSA-N 1 1 678.251 6.214 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095601673 562779733 /nfs/dbraw/zinc/77/97/33/562779733.db2.gz KVYNYDNSHYPGTF-BWLKTWDLSA-N 1 1 669.785 6.885 1 0 KKAFMO COC(=O)c1cccc(NC(=O)N(CCC[NH+]2CCOCC2)CCC(c2ccccc2)c2ccccc2)c1 ZINC000095602854 562780249 /nfs/dbraw/zinc/78/02/49/562780249.db2.gz YVVHXAMYKKXSMW-UHFFFAOYSA-N 1 1 515.654 5.252 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095603125 562780402 /nfs/dbraw/zinc/78/04/02/562780402.db2.gz CMLTYIJXOZVOLL-PDTNBVABSA-N 1 1 612.815 6.089 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604341 562781012 /nfs/dbraw/zinc/78/10/12/562781012.db2.gz MLNWPGCJBNVZPL-KECSPFHLSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604341 562781013 /nfs/dbraw/zinc/78/10/13/562781013.db2.gz MLNWPGCJBNVZPL-KECSPFHLSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605105 562781383 /nfs/dbraw/zinc/78/13/83/562781383.db2.gz ORTMWWQHMCADOR-ZHBPACGQSA-N 1 1 741.178 7.375 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095605376 562781490 /nfs/dbraw/zinc/78/14/90/562781490.db2.gz PIPSXTOHKBCCEO-NAJARDBOSA-N 1 1 702.790 7.416 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605381 562781549 /nfs/dbraw/zinc/78/15/49/562781549.db2.gz QMCFBRPLMVFDBX-IUVSGJEMSA-N 1 1 740.285 7.087 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605476 562781575 /nfs/dbraw/zinc/78/15/75/562781575.db2.gz ZBBNPLMVFVREHD-UGDHZGHBSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)NC3CCCCC3)cc2C1=O ZINC000095605488 562781584 /nfs/dbraw/zinc/78/15/84/562781584.db2.gz DRQNCGZLFKRWDU-OJQFFXEZSA-N 1 1 691.741 7.375 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095605458 562781588 /nfs/dbraw/zinc/78/15/88/562781588.db2.gz KTOLAWMRFLMANX-IQRSPBMWSA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@H](C(=O)Nc1nc([C@H](CC[N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000095607337 562782767 /nfs/dbraw/zinc/78/27/67/562782767.db2.gz JWKLHPJIQARGDH-MQQGNGCHSA-N 1 1 740.814 9.020 1 0 KKAFMO CCn1nc(Cc2cccnc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000095607601 562782916 /nfs/dbraw/zinc/78/29/16/562782916.db2.gz JGAITRDERWCFBO-ABAVYFCKSA-N 1 1 587.784 5.956 1 0 KKAFMO C[N@H+]1CCc2cc(Br)c(O)cc2[C@H](c2ccc(NC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)cc2)C1 ZINC000095610674 562784547 /nfs/dbraw/zinc/78/45/47/562784547.db2.gz AAOCWUJDPXXWHS-NDEPHWFRSA-N 1 1 736.644 7.563 1 0 KKAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2ccncc2o1)C[C@H](O)CN1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095612564 562785620 /nfs/dbraw/zinc/78/56/20/562785620.db2.gz JIINVZHJRITJBO-RKJBDEQDSA-N 1 1 796.243 5.127 1 0 KKAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2ccncc2o1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095612564 562785621 /nfs/dbraw/zinc/78/56/21/562785621.db2.gz JIINVZHJRITJBO-RKJBDEQDSA-N 1 1 796.243 5.127 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670060 562788252 /nfs/dbraw/zinc/78/82/52/562788252.db2.gz YWKQKXOEKQEVAI-DHLKQENFSA-N 1 1 527.505 6.606 1 0 KKAFMO CCNc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670078 562788257 /nfs/dbraw/zinc/78/82/57/562788257.db2.gz IWYTUWMBDRWLJL-SQHAQQRYSA-N 1 1 502.577 6.019 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000095690846 562788429 /nfs/dbraw/zinc/78/84/29/562788429.db2.gz UWZVFFPZKKJULR-QZTZHPFYSA-N 1 1 554.585 5.228 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095751136 562788828 /nfs/dbraw/zinc/78/88/28/562788828.db2.gz DJCIIHJEQUSOOT-JNOFGXDLSA-N 1 1 703.803 6.882 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095753587 562788861 /nfs/dbraw/zinc/78/88/61/562788861.db2.gz HYEFXMLKRFQNEN-DWLUSBQNSA-N 1 1 624.779 5.197 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095754177 562788884 /nfs/dbraw/zinc/78/88/84/562788884.db2.gz RRTLYMIVDSYVQP-KTYLLXISSA-N 1 1 592.740 6.350 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095782424 562789056 /nfs/dbraw/zinc/78/90/56/562789056.db2.gz ZBSMIXMEGWTGMY-NWDSAUNBSA-N 1 1 583.773 6.225 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797912 562789185 /nfs/dbraw/zinc/78/91/85/562789185.db2.gz HQAZDFNOZXZGFG-SYZUXVNWSA-N 1 1 540.626 5.862 1 0 KKAFMO Cc1cc(C(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1 ZINC000095833065 562789293 /nfs/dbraw/zinc/78/92/93/562789293.db2.gz UFJFLQUSVAOZJI-UCRLTYHRSA-N 1 1 611.743 5.125 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095834834 562789375 /nfs/dbraw/zinc/78/93/75/562789375.db2.gz NHGHJDDGJPIKGB-IZVMNLJQSA-N 1 1 590.687 5.512 1 0 KKAFMO CC(C)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2cccc(Oc3ccccc3)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095873108 562790134 /nfs/dbraw/zinc/79/01/34/562790134.db2.gz PMTGVSOLRQSCER-GOXGLGGOSA-N 1 1 578.713 6.506 1 0 KKAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3cccc(OCCCN4CC[NH+](C)CC4)c3)nc12 ZINC000096167721 562790534 /nfs/dbraw/zinc/79/05/34/562790534.db2.gz HVTIZQHNYBUTRY-UHFFFAOYSA-N 1 1 537.495 6.067 1 0 KKAFMO c1ccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)n[nH]2)nc1 ZINC000096173993 562791565 /nfs/dbraw/zinc/79/15/65/562791565.db2.gz QOTJVGWZDAHQNJ-UHFFFAOYSA-N 1 1 552.646 5.613 1 0 KKAFMO c1ccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)n2)nc1 ZINC000096173993 562791566 /nfs/dbraw/zinc/79/15/66/562791566.db2.gz QOTJVGWZDAHQNJ-UHFFFAOYSA-N 1 1 552.646 5.613 1 0 KKAFMO Cc1ccc(C[NH+]2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174024 562791592 /nfs/dbraw/zinc/79/15/92/562791592.db2.gz HLSUDLCHXYLGFX-UHFFFAOYSA-N 1 1 513.649 5.680 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3F)c3cc(F)ccc3c2=O)cc1F ZINC000096270733 562793292 /nfs/dbraw/zinc/79/32/92/562793292.db2.gz UHBCZOGBGQTBNS-UHFFFAOYSA-N 1 1 711.697 6.506 1 0 KKAFMO O=C(CN1CC[NH+](CCCOc2ccc3c(c2)oc(=O)cc3-c2ccccc2)CC1)Nc1c2ccccc2nc2c1CCCC2 ZINC000096271827 562793898 /nfs/dbraw/zinc/79/38/98/562793898.db2.gz LIGXGSONOCBWSR-UHFFFAOYSA-N 1 1 602.735 5.912 1 0 KKAFMO CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)[nH+]cn2c1 ZINC000096284231 562795071 /nfs/dbraw/zinc/79/50/71/562795071.db2.gz VCELWHFCXPYFQZ-HSZRJFAPSA-N 1 1 505.018 7.047 1 0 KKAFMO CC[N@H+]1CCn2c(cnc2[C@@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284737 562795351 /nfs/dbraw/zinc/79/53/51/562795351.db2.gz VEWKJXMBTJTFJT-GDLZYMKVSA-N 1 1 579.705 5.045 1 0 KKAFMO OC1(c2ccccc2CN2CCOCC2)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318629 562796530 /nfs/dbraw/zinc/79/65/30/562796530.db2.gz RHZKHGJODXMAPM-UHFFFAOYSA-N 1 1 511.493 5.899 1 0 KKAFMO O=C1CN2CCc3c[nH+]cn3Cc3ccc(-c4ccc(C(F)(F)F)cc4)c(c3)Oc3ccc4cccc(c4c3)N1CC2 ZINC000096900305 562796780 /nfs/dbraw/zinc/79/67/80/562796780.db2.gz DSUYZKFAJRJFFP-UHFFFAOYSA-N 1 1 568.599 6.767 1 0 KKAFMO CC[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908703 562799422 /nfs/dbraw/zinc/79/94/22/562799422.db2.gz WCVXUDKCXLFZCX-PORLETOBSA-N 1 1 668.735 7.168 1 0 KKAFMO CC[C@@H]1CC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908703 562799423 /nfs/dbraw/zinc/79/94/23/562799423.db2.gz WCVXUDKCXLFZCX-PORLETOBSA-N 1 1 668.735 7.168 1 0 KKAFMO Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909592 562799627 /nfs/dbraw/zinc/79/96/27/562799627.db2.gz NWFSVUQPLAQTLG-HFZDXXHNSA-N 1 1 538.088 5.817 1 0 KKAFMO COc1ccccc1Oc1ccc(C(=O)N[C@H](C[N@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1 ZINC000096910134 562799910 /nfs/dbraw/zinc/79/99/10/562799910.db2.gz PXRQBQSSYKYALF-WXVAWEFUSA-N 1 1 503.643 5.158 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccc(Cl)cc1 ZINC000096911417 562800191 /nfs/dbraw/zinc/80/01/91/562800191.db2.gz YQPWZSOMNZHOBO-UHFFFAOYSA-N 1 1 524.452 6.788 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC[C@H](c3ccccc3)C2)cc1OC ZINC000096913922 562800515 /nfs/dbraw/zinc/80/05/15/562800515.db2.gz WKMZLMAXSGDHJM-XTEPFMGCSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC[C@H](c3ccccc3)C2)cc1OC ZINC000096913922 562800516 /nfs/dbraw/zinc/80/05/16/562800516.db2.gz WKMZLMAXSGDHJM-XTEPFMGCSA-N 1 1 544.692 5.269 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923592 562802114 /nfs/dbraw/zinc/80/21/14/562802114.db2.gz YXMJJRWBZVDXTQ-WJOKGBTCSA-N 1 1 546.781 5.187 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C1 ZINC000096923593 562802120 /nfs/dbraw/zinc/80/21/20/562802120.db2.gz YXMJJRWBZVDXTQ-HKBQPEDESA-N 1 1 546.781 5.187 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccc(F)cc32)cc1F ZINC000096927173 562802614 /nfs/dbraw/zinc/80/26/14/562802614.db2.gz AXUCCAZTQZZNLL-UHFFFAOYSA-N 1 1 694.710 8.022 1 0 KKAFMO CCOc1cc(N)c(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096928306 562802821 /nfs/dbraw/zinc/80/28/21/562802821.db2.gz ZOSJVBLEJMPEEW-UHFFFAOYSA-N 1 1 629.161 5.547 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932305 562803343 /nfs/dbraw/zinc/80/33/43/562803343.db2.gz PANXQWFJZSTTQB-UHFFFAOYSA-N 1 1 689.710 7.524 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932311 562803346 /nfs/dbraw/zinc/80/33/46/562803346.db2.gz NVBSQFQYGXEGOI-UHFFFAOYSA-N 1 1 626.660 6.729 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3C)ccn2)cc1F ZINC000096932310 562803374 /nfs/dbraw/zinc/80/33/74/562803374.db2.gz SXGBQYUKAYGDLN-UHFFFAOYSA-N 1 1 622.697 6.899 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccc(F)cc2)C1 ZINC000100076274 562806605 /nfs/dbraw/zinc/80/66/05/562806605.db2.gz JXESXABALCUOOS-RLPLKTQASA-N 1 1 572.729 5.840 1 0 KKAFMO CCCC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076168 562806631 /nfs/dbraw/zinc/80/66/31/562806631.db2.gz PVCYWAHGRMMCRN-CSSKISATSA-N 1 1 582.793 6.481 1 0 KKAFMO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccc(OC)c(OC)c2)cc1 ZINC000100760066 562807699 /nfs/dbraw/zinc/80/76/99/562807699.db2.gz GUCKXKSRGHSRQI-YHTXFFTCSA-N 1 1 541.736 6.562 1 0 KKAFMO COC(=O)[C@H](c1ccc(F)cc1)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193599 562809890 /nfs/dbraw/zinc/80/98/90/562809890.db2.gz RRFIHKNSVPKCRY-AXMAENODSA-N 1 1 594.775 6.990 1 0 KKAFMO COc1cc(/C=C/OC(=O)[C@H]2CC[C@H]([N@H+](C)[C@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101506277 562811078 /nfs/dbraw/zinc/81/10/78/562811078.db2.gz WHEQWKJMWXXWPK-HCWPQUIBSA-N 1 1 641.758 5.907 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696119 562811764 /nfs/dbraw/zinc/81/17/64/562811764.db2.gz JKABQKSBPGSKAQ-JOCHJYFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CC(C)(C)Oc1ccc(-c2nnc(SCCC[NH+]3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103180131 562815220 /nfs/dbraw/zinc/81/52/20/562815220.db2.gz ZGZBICLFPRAOKM-UHFFFAOYSA-N 1 1 509.701 5.828 1 0 KKAFMO NC(=O)[C@]1(c2ccc(Cl)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103224233 562817562 /nfs/dbraw/zinc/81/75/62/562817562.db2.gz MBMOHZHCIADYJD-JSCPRHNGSA-N 1 1 500.857 6.181 1 0 KKAFMO NC(=O)[C@]1(c2cc(F)c(F)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103227230 562817904 /nfs/dbraw/zinc/81/79/04/562817904.db2.gz VQHSKQPDXFAYKU-YBCKSGLRSA-N 1 1 502.392 5.806 1 0 KKAFMO O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc(F)ccc2c1)c1ccccc1C(=O)N1CCCCCC1 ZINC000103233200 562818454 /nfs/dbraw/zinc/81/84/54/562818454.db2.gz GIPFZYIDTGSYHG-CXAYTTCISA-N 1 1 513.657 5.921 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1cccnc1)C2 ZINC000103239093 562819266 /nfs/dbraw/zinc/81/92/66/562819266.db2.gz WOEQVMHBWZODLK-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1cccnc1)C2 ZINC000103239093 562819267 /nfs/dbraw/zinc/81/92/67/562819267.db2.gz WOEQVMHBWZODLK-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000103239090 562819274 /nfs/dbraw/zinc/81/92/74/562819274.db2.gz AAIWAZWDQMGABY-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000103239090 562819275 /nfs/dbraw/zinc/81/92/75/562819275.db2.gz AAIWAZWDQMGABY-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccncc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240393 562819466 /nfs/dbraw/zinc/81/94/66/562819466.db2.gz ZSZLFTIBFWOBBQ-UUWRZZSWSA-N 1 1 587.772 5.183 1 0 KKAFMO C[NH+]1CCN(c2ncc(Sc3cccc(NC(=O)c4ccccc4)c3)c(OCc3ccccc3)n2)CC1 ZINC000103254945 562820672 /nfs/dbraw/zinc/82/06/72/562820672.db2.gz DNCACTLFFFYPLO-UHFFFAOYSA-N 1 1 511.651 5.211 1 0 KKAFMO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000103259455 562821126 /nfs/dbraw/zinc/82/11/26/562821126.db2.gz HUJMMKROGZIWHI-HFLBTKGNSA-N 1 1 511.645 5.537 1 0 KKAFMO O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000103261474 562821381 /nfs/dbraw/zinc/82/13/81/562821381.db2.gz LAMYCJIXYOSQFI-NDEPHWFRSA-N 1 1 592.584 5.882 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)COc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000103262198 562821594 /nfs/dbraw/zinc/82/15/94/562821594.db2.gz WPMFDRILQMCTSY-NLFSJDMNSA-N 1 1 569.672 6.223 1 0 KKAFMO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)c1ccc(F)cc1)c1cccc2ccccc21 ZINC000103262197 562821612 /nfs/dbraw/zinc/82/16/12/562821612.db2.gz BQDGAJWCSHNVOS-INXMUBLWSA-N 1 1 547.678 6.761 1 0 KKAFMO CC[C@H]1CN(c2ncc(-c3ncc[nH]3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266145 562822234 /nfs/dbraw/zinc/82/22/34/562822234.db2.gz CSDQKSDODZFEOX-NRFANRHFSA-N 1 1 517.480 5.483 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3N(C)CC2 ZINC000103287602 562823907 /nfs/dbraw/zinc/82/39/07/562823907.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 1 1 608.735 6.440 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3N(C)CC2 ZINC000103287602 562823908 /nfs/dbraw/zinc/82/39/08/562823908.db2.gz YZGZHFUKHPDLOJ-WDYNHAJCSA-N 1 1 608.735 6.440 1 0 KKAFMO COc1cc2ncnc(Nc3cccc(NC(=O)Nc4cccc(C)c4)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000103297188 562824588 /nfs/dbraw/zinc/82/45/88/562824588.db2.gz IYMACANHMZIKLK-UHFFFAOYSA-N 1 1 542.640 5.436 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@H]2CC[NH2+]C2)nc1)C1CC1 ZINC000114034035 562826974 /nfs/dbraw/zinc/82/69/74/562826974.db2.gz PAAMSHAMIHCIMN-IBGZPJMESA-N 1 1 517.992 5.905 1 0 KKAFMO C[NH+](C)CCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cn1 ZINC000114035725 562827005 /nfs/dbraw/zinc/82/70/05/562827005.db2.gz TYKCYPCKPKEYLK-UHFFFAOYSA-N 1 1 520.992 6.072 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000114099734 562827602 /nfs/dbraw/zinc/82/76/02/562827602.db2.gz YUOQDCRTZDLQDD-HSZRJFAPSA-N 1 1 510.078 5.500 1 0 KKAFMO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000115189891 562828797 /nfs/dbraw/zinc/82/87/97/562828797.db2.gz OLAMLYBYQCPMGU-UHFFFAOYSA-N 1 1 520.892 5.391 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789035 562830596 /nfs/dbraw/zinc/83/05/96/562830596.db2.gz JHUAOSPKENTLLI-DEILBTJESA-N 1 1 618.262 8.070 1 0 KKAFMO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CC[NH2+]CC3=O)cc1)C(=O)C2 ZINC000118795920 562830668 /nfs/dbraw/zinc/83/06/68/562830668.db2.gz AJYCGDGWEQCZPL-GEFUHLBYSA-N 1 1 548.083 5.307 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)NC3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794620 562830680 /nfs/dbraw/zinc/83/06/80/562830680.db2.gz KHAYFXPJPHDPRJ-JBRBIWQXSA-N 1 1 562.154 6.607 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)NC3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794621 562830688 /nfs/dbraw/zinc/83/06/88/562830688.db2.gz KHAYFXPJPHDPRJ-MVCRGFCOSA-N 1 1 562.154 6.607 1 0 KKAFMO CCN1CC[NH+]([C@@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929035 562832265 /nfs/dbraw/zinc/83/22/65/562832265.db2.gz JVGNHFZOVWJKER-SSEXGKCCSA-N 1 1 533.680 5.468 1 0 KKAFMO CCCc1ncccc1C[N@@H+](CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O ZINC000139601568 562832644 /nfs/dbraw/zinc/83/26/44/562832644.db2.gz HWHJLTXOSDACJN-UHFFFAOYSA-N 1 1 627.786 5.577 1 0 KKAFMO C[C@H]1C[N@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000141592818 562833647 /nfs/dbraw/zinc/83/36/47/562833647.db2.gz IYHGEKFCMCXIEF-DHQSUONFSA-N 1 1 624.810 6.132 1 0 KKAFMO C[C@H]1C[N@@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000141592818 562833648 /nfs/dbraw/zinc/83/36/48/562833648.db2.gz IYHGEKFCMCXIEF-DHQSUONFSA-N 1 1 624.810 6.132 1 0 KKAFMO CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Br)ccc1OC[C@@H]1CCC[N@H+]1C ZINC000142188104 562833963 /nfs/dbraw/zinc/83/39/63/562833963.db2.gz RPSJSJZDPRLONT-RHGYLGJDSA-N 1 1 508.526 5.480 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000142750198 562834300 /nfs/dbraw/zinc/83/43/00/562834300.db2.gz LPPJWLCHFVAEHR-XMVWRQPZSA-N 1 1 528.114 5.455 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000142716117 562834309 /nfs/dbraw/zinc/83/43/09/562834309.db2.gz HIVHEOCGLZASLB-GBXCKJPGSA-N 1 1 521.678 6.110 1 0 KKAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc12 ZINC000143027287 562834472 /nfs/dbraw/zinc/83/44/72/562834472.db2.gz ADWYMXOWUKHDBM-UHFFFAOYSA-N 1 1 606.637 5.688 1 0 KKAFMO COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc12 ZINC000143027287 562834473 /nfs/dbraw/zinc/83/44/73/562834473.db2.gz ADWYMXOWUKHDBM-UHFFFAOYSA-N 1 1 606.637 5.688 1 0 KKAFMO CC[N@H+]1CCC[C@@H]1CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143339906 562834944 /nfs/dbraw/zinc/83/49/44/562834944.db2.gz XMZZJVAMXAIKCD-SSDOTTSWSA-N 1 1 559.926 5.509 1 0 KKAFMO Oc1cc(CC(F)(F)F)c(-c2ccc3c(c2)[nH]nc3-c2nc3c([nH]2)C[N@H+](Cc2ccccc2)CC3)cc1F ZINC000146250056 562838363 /nfs/dbraw/zinc/83/83/63/562838363.db2.gz JBVDUANFDSHNRN-UHFFFAOYSA-N 1 1 521.518 6.128 1 0 KKAFMO Oc1cc(CC(F)(F)F)c(-c2ccc3c(c2)[nH]nc3-c2nc3c([nH]2)C[N@@H+](Cc2ccccc2)CC3)cc1F ZINC000146250056 562838364 /nfs/dbraw/zinc/83/83/64/562838364.db2.gz JBVDUANFDSHNRN-UHFFFAOYSA-N 1 1 521.518 6.128 1 0 KKAFMO O=C(Nc1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1)[C@@H](c1ccsc1)[NH+]1CCCC1 ZINC000146837079 562838831 /nfs/dbraw/zinc/83/88/31/562838831.db2.gz JVZJRUAQICXOEP-HHHXNRCGSA-N 1 1 501.656 5.028 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](C)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000147769163 562839604 /nfs/dbraw/zinc/83/96/04/562839604.db2.gz KGEDOMHYTIWKTE-XLIONFOSSA-N 1 1 529.641 5.628 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@H](C)C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5ncsc5c4)c3c2)C1 ZINC000147769163 562839605 /nfs/dbraw/zinc/83/96/05/562839605.db2.gz KGEDOMHYTIWKTE-XLIONFOSSA-N 1 1 529.641 5.628 1 0 KKAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147818115 562839696 /nfs/dbraw/zinc/83/96/96/562839696.db2.gz DZEQBPTXICASFA-FUHWJXTLSA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147818115 562839697 /nfs/dbraw/zinc/83/96/97/562839697.db2.gz DZEQBPTXICASFA-FUHWJXTLSA-N 1 1 517.605 5.411 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C(C)C)nn1 ZINC000147876690 562839779 /nfs/dbraw/zinc/83/97/79/562839779.db2.gz NRDAGRURPLJETJ-PIKZIKFNSA-N 1 1 577.648 6.485 1 0 KKAFMO C[C@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](Cc2ccccc2)CC1 ZINC000148779132 562841786 /nfs/dbraw/zinc/84/17/86/562841786.db2.gz NNWHHZWGFMXAIM-RPWUZVMVSA-N 1 1 513.697 8.124 1 0 KKAFMO O=C(Nc1cccc(Nc2ncnc3cc(OCCC[NH+]4CCN(CCO)CC4)ccc32)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000150522860 562843539 /nfs/dbraw/zinc/84/35/39/562843539.db2.gz PJJYEJOYFHFLRW-UHFFFAOYSA-N 1 1 644.098 6.068 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)c(Cl)cc2F)CC1 ZINC000150537926 562844035 /nfs/dbraw/zinc/84/40/35/562844035.db2.gz JYFBREXHDMGSRL-KMCMVZAKSA-N 1 1 692.301 7.377 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccc(I)cc4)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000150593339 562846397 /nfs/dbraw/zinc/84/63/97/562846397.db2.gz SPBYVRXRBROCFD-UHFFFAOYSA-N 1 1 695.609 6.765 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611930 562848549 /nfs/dbraw/zinc/84/85/49/562848549.db2.gz OWUNWYFBVXAWFX-PSDDJHKBSA-N 1 1 639.789 7.179 1 0 KKAFMO CC(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 ZINC000164802518 562849767 /nfs/dbraw/zinc/84/97/67/562849767.db2.gz PCKWZFJFZKRZJN-GGHFKMNMSA-N 1 1 661.646 5.837 1 0 KKAFMO Cc1cc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@H+]4CCCOCC4)c3)CC2)nn1C ZINC000167316878 562850687 /nfs/dbraw/zinc/85/06/87/562850687.db2.gz KZOXYCHDEODHMX-HNRBIFIRSA-N 1 1 656.759 5.121 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cc6ccccn6n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000167776537 562851093 /nfs/dbraw/zinc/85/10/93/562851093.db2.gz IWFKTDGQARWPEC-MAYPULDCSA-N 1 1 675.809 5.981 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cc6ccccn6n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000167776537 562851094 /nfs/dbraw/zinc/85/10/94/562851094.db2.gz IWFKTDGQARWPEC-MAYPULDCSA-N 1 1 675.809 5.981 1 0 KKAFMO COC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000168591330 562851519 /nfs/dbraw/zinc/85/15/19/562851519.db2.gz AXKWBZSPHKLLMP-PMERELPUSA-N 1 1 614.678 5.718 1 0 KKAFMO COC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)ccn2)c1 ZINC000168591330 562851520 /nfs/dbraw/zinc/85/15/20/562851520.db2.gz AXKWBZSPHKLLMP-PMERELPUSA-N 1 1 614.678 5.718 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCCC1 ZINC000169293794 562852129 /nfs/dbraw/zinc/85/21/29/562852129.db2.gz AEXUFSNLZAPTED-ILBGXUMGSA-N 1 1 540.717 6.402 1 0 KKAFMO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OCCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C ZINC000169297898 562852633 /nfs/dbraw/zinc/85/26/33/562852633.db2.gz QZZJNRWXLCKHIO-UCRVKGRCSA-N 1 1 711.340 8.017 1 0 KKAFMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000169298916 562852741 /nfs/dbraw/zinc/85/27/41/562852741.db2.gz RKHLUIULTYXGQL-UZNNEEJFSA-N 1 1 605.764 5.796 1 0 KKAFMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169298920 562852747 /nfs/dbraw/zinc/85/27/47/562852747.db2.gz BDCQVJBDZRVSHT-CSIJRYOKSA-N 1 1 529.706 5.112 3 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307061 562853718 /nfs/dbraw/zinc/85/37/18/562853718.db2.gz SLTCXVQIICRRLH-PGUFJCEWSA-N 1 1 587.768 6.215 1 0 KKAFMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317795 562856051 /nfs/dbraw/zinc/85/60/51/562856051.db2.gz DPSGNGUIODYZLY-RPLLCQBOSA-N 1 1 501.545 5.790 1 0 KKAFMO CCCC[NH+](CCCC)CCCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318825 562856122 /nfs/dbraw/zinc/85/61/22/562856122.db2.gz GCRBXCBZFWYJAB-JZYYHHLESA-N 1 1 550.872 8.074 1 0 KKAFMO COC1=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)c1ccccc1)OCO4 ZINC000169319058 562856153 /nfs/dbraw/zinc/85/61/53/562856153.db2.gz UKGMWDVLYUOWJL-JHXDXHAQSA-N 1 1 624.901 5.610 1 0 KKAFMO C[NH+](C)CCCn1c(=O)c(CCCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ccccc21 ZINC000169319134 562856166 /nfs/dbraw/zinc/85/61/66/562856166.db2.gz OWRPCOONNYMSMY-HHHXNRCGSA-N 1 1 525.137 5.210 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3cccc(F)c3)n2)CC1 ZINC000169322267 562856801 /nfs/dbraw/zinc/85/68/01/562856801.db2.gz FTKXXFBDTDYDJP-UHFFFAOYSA-N 1 1 556.049 6.195 1 0 KKAFMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 ZINC000169328264 562858345 /nfs/dbraw/zinc/85/83/45/562858345.db2.gz FURIEPCHQHZWDN-HLMSNRGBSA-N 1 1 528.692 5.533 1 0 KKAFMO Cc1ccc2c(c1)[C@]1([NH2+][C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000169332561 562859193 /nfs/dbraw/zinc/85/91/93/562859193.db2.gz ZNONJPKJARXYDI-JBFGIVHASA-N 1 1 513.641 5.737 1 0 KKAFMO C[C@@H]([N@H+]1CCc2sc(-c3ccc(C(F)(F)F)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344443 562861329 /nfs/dbraw/zinc/86/13/29/562861329.db2.gz MORGRAPMKPOPCJ-PUAOIOHZSA-N 1 1 534.554 5.638 1 0 KKAFMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169344293 562861337 /nfs/dbraw/zinc/86/13/37/562861337.db2.gz IRLLVXSDXRTXJW-AOBJZNIWSA-N 1 1 534.059 6.082 1 0 KKAFMO C[C@@H]([N@H+]1CCc2sc(-c3cccc(C(F)(F)F)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344458 562861348 /nfs/dbraw/zinc/86/13/48/562861348.db2.gz JHEXOHMXBAZNMM-PUAOIOHZSA-N 1 1 534.554 5.638 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)[C@@H](C)[C@@H]3C)n1 ZINC000169685399 562865042 /nfs/dbraw/zinc/86/50/42/562865042.db2.gz URXFMIYXZSCJFM-YJPXFSGGSA-N 1 1 602.494 6.036 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)[C@@H](C)[C@@H]3C)n1 ZINC000169685399 562865043 /nfs/dbraw/zinc/86/50/43/562865043.db2.gz URXFMIYXZSCJFM-YJPXFSGGSA-N 1 1 602.494 6.036 1 0 KKAFMO CN1CCN(c2ccc(C[NH+]3CCC4(CC3)O[C@@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703937 562868930 /nfs/dbraw/zinc/86/89/30/562868930.db2.gz PLWTZHJSHDGCFT-NDEPHWFRSA-N 1 1 523.508 5.751 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000195441230 562871876 /nfs/dbraw/zinc/87/18/76/562871876.db2.gz YSVMMPOFNJLWKA-RRPNLBNLSA-N 1 1 559.106 5.964 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(C[NH+]5CCOCC5)CC4)c3c2)cc(Cl)c1O ZINC000203798334 562874132 /nfs/dbraw/zinc/87/41/32/562874132.db2.gz ZVYDGTFRONPMDP-UHFFFAOYSA-N 1 1 536.072 5.411 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4C[C@H]([N@@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422828 562874486 /nfs/dbraw/zinc/87/44/86/562874486.db2.gz VVYWQZGWGMFFKQ-AJTFRIOCSA-N 1 1 544.704 5.051 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@H]4CCC[N@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204428423 562874506 /nfs/dbraw/zinc/87/45/06/562874506.db2.gz DBPAOJPBWIKHNC-FQEVSTJZSA-N 1 1 532.668 5.218 1 0 KKAFMO CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3c[nH+]c(NC[C@H](C)NC(=O)OC)cc3cc2CC)c1F ZINC000210469532 562877040 /nfs/dbraw/zinc/87/70/40/562877040.db2.gz QHWGGIDIMHBKTC-HNNXBMFYSA-N 1 1 520.602 5.051 1 0 KKAFMO Cc1cccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccc(F)cc5)cc4)CC3)n2)n1 ZINC000216212740 562877477 /nfs/dbraw/zinc/87/74/77/562877477.db2.gz JBYACRACFHYNTB-UHFFFAOYSA-N 1 1 544.638 6.071 1 0 KKAFMO Cc1cccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1 ZINC000216212740 562877478 /nfs/dbraw/zinc/87/74/78/562877478.db2.gz JBYACRACFHYNTB-UHFFFAOYSA-N 1 1 544.638 6.071 1 0 KKAFMO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253635610 562882244 /nfs/dbraw/zinc/88/22/44/562882244.db2.gz XOQWEZVGZTXXBC-BEMOLVHJSA-N 1 1 531.737 5.287 1 0 KKAFMO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299836465 562887149 /nfs/dbraw/zinc/88/71/49/562887149.db2.gz GWBQJBXETJIIFP-UHFFFAOYSA-N 1 1 718.786 6.151 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NCc2ccccc2)cc1 ZINC000299837839 562887653 /nfs/dbraw/zinc/88/76/53/562887653.db2.gz RYSYVUSXNRKLCL-QHCPKHFHSA-N 1 1 524.669 6.338 1 0 KKAFMO COc1ccccc1S(=O)(=O)Nc1cc(C)c(Oc2ncccc2-c2ccnc(N[C@H]3CC[C@H]([NH3+])CC3)n2)c2ccccc12 ZINC000299839221 562888091 /nfs/dbraw/zinc/88/80/91/562888091.db2.gz RYXTYCHSKGEFAV-YHBQERECSA-N 1 1 610.740 6.284 1 0 KKAFMO COc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(F)cc43)CC2)c(=O)n2ccccc12 ZINC000299855324 562891599 /nfs/dbraw/zinc/89/15/99/562891599.db2.gz DMJNCISKFKRKPH-UHFFFAOYSA-N 1 1 538.623 5.327 1 0 KKAFMO Nc1nc(N)c2cc(N(Cc3ccc(OC(F)(F)F)cc3)Cc3ccc(OC(F)(F)F)cc3)ccc2[nH+]1 ZINC000299863517 562893841 /nfs/dbraw/zinc/89/38/41/562893841.db2.gz PHYPWZPDJJXHRL-UHFFFAOYSA-N 1 1 523.437 5.798 1 0 KKAFMO CCOC(=O)[C@H]1CCCC[C@H]1[N@@H+](C)CCOC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000299863704 562893935 /nfs/dbraw/zinc/89/39/35/562893935.db2.gz LKFZQQPVUYHFIA-XZOQPEGZSA-N 1 1 531.537 6.884 1 0 KKAFMO Cc1cc(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299865039 562894283 /nfs/dbraw/zinc/89/42/83/562894283.db2.gz SMGUTCNZXGIUCJ-UHFFFAOYSA-N 1 1 526.681 5.027 1 0 KKAFMO Cc1cc(C(=O)NCCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1C[NH2+]C[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 ZINC000299870705 562895573 /nfs/dbraw/zinc/89/55/73/562895573.db2.gz WTMCCDLGHBYXDM-QNGWXLTQSA-N 1 1 703.840 6.196 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000377811626 562896012 /nfs/dbraw/zinc/89/60/12/562896012.db2.gz NHBFDSAAENLDDM-VCFLKGNJSA-N 1 1 570.605 6.705 1 0 KKAFMO CCn1ccc(=[NH+]c2ccc(C(=O)Nc3ccc(N=c4ccn(CC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377848922 562896446 /nfs/dbraw/zinc/89/64/46/562896446.db2.gz IQHMCQCNAIQBLQ-UHFFFAOYSA-N 1 1 502.622 5.782 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473081250 562896609 /nfs/dbraw/zinc/89/66/09/562896609.db2.gz BAOSAWUQUVTPHH-MUUNZHRXSA-N 1 1 576.484 6.448 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085562 562896988 /nfs/dbraw/zinc/89/69/88/562896988.db2.gz XWFQGERKWZAILQ-MHZLTWQESA-N 1 1 606.908 6.167 1 0 KKAFMO O=[N+]([O-])C1=C(NCc2ccccc2)Oc2ccccc2[C@@H]1c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473086008 562897021 /nfs/dbraw/zinc/89/70/21/562897021.db2.gz ZWGKGTTWJFQEIX-XIFFEERXSA-N 1 1 604.110 6.975 1 0 KKAFMO CCOC(=O)CCCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@@H]2Cc1ccc(OC)c(OC)c1 ZINC000473087488 562897168 /nfs/dbraw/zinc/89/71/68/562897168.db2.gz FOFIZPPIHKXHNV-JGCGQSQUSA-N 1 1 601.788 6.088 1 0 KKAFMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)nncc4Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)cc2)CC1 ZINC000473093460 562897787 /nfs/dbraw/zinc/89/77/87/562897787.db2.gz UGLSJWMQCWPHDM-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(c3)nncc4Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)cc2)CC1 ZINC000473093460 562897788 /nfs/dbraw/zinc/89/77/88/562897788.db2.gz UGLSJWMQCWPHDM-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4nncc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473105429 562898221 /nfs/dbraw/zinc/89/82/21/562898221.db2.gz SIJAFAGUJSDKCP-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4nncc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473105429 562898222 /nfs/dbraw/zinc/89/82/22/562898222.db2.gz SIJAFAGUJSDKCP-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO CC[N@@H+](CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1OC ZINC000473111418 562898593 /nfs/dbraw/zinc/89/85/93/562898593.db2.gz BAAFVMSZJXOGGZ-UHFFFAOYSA-N 1 1 575.702 6.956 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473133741 562900445 /nfs/dbraw/zinc/90/04/45/562900445.db2.gz CVVXTANPPIMNTP-KTLUODIZSA-N 1 1 522.085 5.394 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)/C=C/c3ccccc3)cc1)CC2 ZINC000473134077 562900475 /nfs/dbraw/zinc/90/04/75/562900475.db2.gz BOAVDYZAPQBOES-SAPNQHFASA-N 1 1 561.682 6.209 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473137261 562901157 /nfs/dbraw/zinc/90/11/57/562901157.db2.gz XOPAKEOAECZGSG-UHFFFAOYSA-N 1 1 645.778 5.683 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473137261 562901158 /nfs/dbraw/zinc/90/11/58/562901158.db2.gz XOPAKEOAECZGSG-UHFFFAOYSA-N 1 1 645.778 5.683 1 0 KKAFMO COc1ccc(/C=C2\C[N@H+](C)C[C@@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473137638 562901203 /nfs/dbraw/zinc/90/12/03/562901203.db2.gz YQJOIGYJHLQOCE-HWYNNCSYSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473137638 562901204 /nfs/dbraw/zinc/90/12/04/562901204.db2.gz YQJOIGYJHLQOCE-HWYNNCSYSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1ccc(/C=C2\C[N@H+](C)C[C@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473137641 562901217 /nfs/dbraw/zinc/90/12/17/562901217.db2.gz YQJOIGYJHLQOCE-USURGDPHSA-N 1 1 557.119 7.043 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)C[C@H]3C2=NN(c2nc(-c4ccc(Cl)cc4)cs2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473137641 562901218 /nfs/dbraw/zinc/90/12/18/562901218.db2.gz YQJOIGYJHLQOCE-USURGDPHSA-N 1 1 557.119 7.043 1 0 KKAFMO C[C@@]([NH2+]Cc1ccc2occc2c1)(c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473172849 562903343 /nfs/dbraw/zinc/90/33/43/562903343.db2.gz ZDDOCTLDSWCEMH-DJUQAAIZSA-N 1 1 636.668 5.400 1 0 KKAFMO C[C@@]([NH2+]Cc1ccc2occc2c1)(c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473172850 562903348 /nfs/dbraw/zinc/90/33/48/562903348.db2.gz ZDDOCTLDSWCEMH-JHOBJCJYSA-N 1 1 636.668 5.400 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000473197679 562903705 /nfs/dbraw/zinc/90/37/05/562903705.db2.gz CNHRQIIVLQUPFU-MHPIHPPYSA-N 1 1 541.479 5.130 1 0 KKAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000473213471 562903853 /nfs/dbraw/zinc/90/38/53/562903853.db2.gz HSGLXFGGBSLGAM-UEOVJWFCSA-N 1 1 627.830 5.415 1 0 KKAFMO COc1ccc(-n2c(C)c(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)c(F)c3)n(C)c2=O)cc1 ZINC000474607140 562905425 /nfs/dbraw/zinc/90/54/25/562905425.db2.gz JQLIANVZZPMVDC-UHFFFAOYSA-N 1 1 684.769 5.250 1 0 KKAFMO Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474607811 562905439 /nfs/dbraw/zinc/90/54/39/562905439.db2.gz KDHWFWPMHSIPPF-UHFFFAOYSA-N 1 1 626.661 6.152 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NCc4ccncc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474609847 562905694 /nfs/dbraw/zinc/90/56/94/562905694.db2.gz WDZLCEHORPBZIM-PMERELPUSA-N 1 1 536.676 5.169 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(OC(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000474609870 562905731 /nfs/dbraw/zinc/90/57/31/562905731.db2.gz WLABUXFFCJTSTL-UHFFFAOYSA-N 1 1 738.739 6.140 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000653708694 562908003 /nfs/dbraw/zinc/90/80/03/562908003.db2.gz SYBFJVJKOITZFD-UHFFFAOYSA-N 1 1 561.086 5.304 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653717448 562908588 /nfs/dbraw/zinc/90/85/88/562908588.db2.gz HSMHBKPGNYWETC-UHFFFAOYSA-N 1 1 736.244 7.709 1 0 KKAFMO CCCC[C@@H](OC(=O)CN1CC[NH+](CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653717454 562908611 /nfs/dbraw/zinc/90/86/11/562908611.db2.gz IWZJKTWRERVEJR-YYXBQCAESA-N 1 1 852.022 7.670 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(F)cc3)c2=O)cc1F ZINC000653723546 562908912 /nfs/dbraw/zinc/90/89/12/562908912.db2.gz OJSDVUBZLAMEFI-UHFFFAOYSA-N 1 1 727.164 7.625 1 0 KKAFMO CO[C@@H]1CC[N@@H+](Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762403 562911469 /nfs/dbraw/zinc/91/14/69/562911469.db2.gz WYUKVGVZYSCCDJ-AREMUKBSSA-N 1 1 559.066 5.584 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653779636 562912059 /nfs/dbraw/zinc/91/20/59/562912059.db2.gz FSFQTGYALNLWQI-UHFFFAOYSA-N 1 1 549.557 5.424 1 0 KKAFMO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(O)cc4)nc(Nc4ccc(F)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653796557 562913154 /nfs/dbraw/zinc/91/31/54/562913154.db2.gz ABCWFRVOCZSJLQ-UHFFFAOYSA-N 1 1 532.583 6.654 1 0 KKAFMO COc1ccc(-c2nc(Nc3ccc(F)cc3)nc(Nc3ccc4c(c3)[nH+]c(C)n4Cc3ccccc3)n2)cc1 ZINC000653803760 562913537 /nfs/dbraw/zinc/91/35/37/562913537.db2.gz VVLWMJLHVYCQTB-UHFFFAOYSA-N 1 1 531.595 6.880 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(NCC[NH+](C)C)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822684 562914191 /nfs/dbraw/zinc/91/41/91/562914191.db2.gz QTUYPIHERHUIJG-AWEZNQCLSA-N 1 1 510.429 5.922 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4ccc(C5CC[NH+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823838 562914306 /nfs/dbraw/zinc/91/43/06/562914306.db2.gz NUMZOUWDKZZHAY-OAHLLOKOSA-N 1 1 521.452 6.757 1 0 KKAFMO Cc1cc(-c2cc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cccc(F)c1 ZINC000653840731 562914854 /nfs/dbraw/zinc/91/48/54/562914854.db2.gz XHSBGOCHLWEZIE-UHFFFAOYSA-N 1 1 541.631 5.168 1 0 KKAFMO C[C@@H]1CN(S(=O)(=O)c2cccc3c2cccc3N(C)C)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000653849928 562915440 /nfs/dbraw/zinc/91/54/40/562915440.db2.gz XLNNIDPLVLWFQZ-RRCLRXROSA-N 1 1 649.942 6.332 1 0 KKAFMO C[NH+]1CCN(C(=O)c2cccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)c2)CC1 ZINC000653850688 562915510 /nfs/dbraw/zinc/91/55/10/562915510.db2.gz NBAASIJMPIWILV-UHFFFAOYSA-N 1 1 524.665 5.095 1 0 KKAFMO O=C(NCCCC[N@@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916434 /nfs/dbraw/zinc/91/64/34/562916434.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 1 1 509.588 5.129 1 0 KKAFMO O=C(NCCCC[N@H+]1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 562916435 /nfs/dbraw/zinc/91/64/35/562916435.db2.gz BOKZEUZMGPOVPN-MFVTWZDWSA-N 1 1 509.588 5.129 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1F ZINC000653895817 562917414 /nfs/dbraw/zinc/91/74/14/562917414.db2.gz ZYLVUSFBRCMYPA-UHFFFAOYSA-N 1 1 598.635 5.109 1 0 KKAFMO COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]([NH3+])CN6C(=O)[C@@H](NC(=O)OC)C(C)C)n5)cc4)ccc3c2[nH]1)C(C)C ZINC000653916427 562917911 /nfs/dbraw/zinc/91/79/11/562917911.db2.gz XQCMJBLAMHLRKJ-MLSBLXOHSA-N 1 1 777.927 5.799 1 0 KKAFMO COc1ccc2c(OC)c1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000085489327 565124880 /nfs/dbraw/zinc/12/48/80/565124880.db2.gz VQYWPFJBVAHLLO-LJAQVGFWSA-N 1 1 636.745 6.987 1 0 biogenic,in-vitro KKAFMO COc1ccc2c(OC)c1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000085489327 565124886 /nfs/dbraw/zinc/12/48/86/565124886.db2.gz VQYWPFJBVAHLLO-LJAQVGFWSA-N 1 1 636.745 6.987 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@@H+](C)CC3 ZINC000085540988 565139067 /nfs/dbraw/zinc/13/90/67/565139067.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 1 1 638.761 6.868 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2[N@H+](C)CC3 ZINC000085540988 565139073 /nfs/dbraw/zinc/13/90/73/565139073.db2.gz ZDRBNVRVXXTEPD-KYJUHHDHSA-N 1 1 638.761 6.868 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C)N(C2)CC3 ZINC000085541007 565139166 /nfs/dbraw/zinc/13/91/66/565139166.db2.gz OSHKGRVWORFNPW-JHOBJCJYSA-N 1 1 652.788 7.519 1 0 biogenic,in-vitro KKAFMO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098960 565172178 /nfs/dbraw/zinc/17/21/78/565172178.db2.gz MNKMMHRKOKPHFM-VMPREFPWSA-N 1 1 668.787 6.457 1 0 biogenic,in-vitro KKAFMO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=[NH+]CCO2)c1Cl ZINC000001493808 561676396 /nfs/dbraw/zinc/67/63/96/561676396.db2.gz FBXIHZSULWMHJY-UHFFFAOYSA-N 1 1 568.870 5.435 1 0 in-vivo KKAFMO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000001543470 561677166 /nfs/dbraw/zinc/67/71/66/561677166.db2.gz MVSIJAAHSSGDRJ-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000001543470 561677167 /nfs/dbraw/zinc/67/71/67/561677167.db2.gz MVSIJAAHSSGDRJ-UHFFFAOYSA-N 1 1 582.722 6.604 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)on1 ZINC000001547762 561677280 /nfs/dbraw/zinc/67/72/80/561677280.db2.gz HDDLHVLGBJTJSB-AWNIVKPZSA-N 1 1 501.646 5.968 1 0 KKAFMO Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(CN2CCCC2)c(Br)c1 ZINC000003834110 561683599 /nfs/dbraw/zinc/68/35/99/561683599.db2.gz QVDZMCVSIVITGR-UHFFFAOYSA-N 1 1 591.615 7.698 1 0 in-vitro KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000003965115 561691530 /nfs/dbraw/zinc/69/15/30/561691530.db2.gz NCKIFINBXITCQE-OGICNVKRSA-N 1 1 530.668 5.608 1 0 KKAFMO Cc1cc2c([nH+]c1C)CCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965566 561691549 /nfs/dbraw/zinc/69/15/49/561691549.db2.gz ZBPBGOGMCJVPTD-JOCHJYFZSA-N 1 1 507.476 5.089 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1 ZINC000006716045 561702947 /nfs/dbraw/zinc/70/29/47/561702947.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 1 1 590.553 5.981 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)C(F)(F)F)c(OC[C@H]5CCC[N@H+]5C)c4)nc3c2)ccn1 ZINC000006716045 561702948 /nfs/dbraw/zinc/70/29/48/561702948.db2.gz DZPFHDSAWGBFFX-QGZVFWFLSA-N 1 1 590.553 5.981 1 0 KKAFMO COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCC[N@H+]6C)c5)nc4c3)c2cc1OC ZINC000006716052 561702958 /nfs/dbraw/zinc/70/29/58/561702958.db2.gz NRUKDYLILMOFJD-IBGZPJMESA-N 1 1 561.038 7.056 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4)C[C@]4(O)[C@H](C2)[N@@H+](CC2CC2)CC[C@@]314 ZINC000008036013 561704961 /nfs/dbraw/zinc/70/49/61/561704961.db2.gz PSPANKCQVWSVHM-PVVDWXEZSA-N 1 1 504.630 5.094 1 0 KKAFMO Cc1cc2c([nH+]c1C)CCCN2C[C@@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000008582437 561705674 /nfs/dbraw/zinc/70/56/74/561705674.db2.gz ZBPBGOGMCJVPTD-QFIPXVFZSA-N 1 1 507.476 5.089 1 0 KKAFMO Nc1[nH+]ccc2ccc(Oc3ccccc3NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12 ZINC000013442954 561712936 /nfs/dbraw/zinc/71/29/36/561712936.db2.gz JUWFUGYOXYMLNK-UHFFFAOYSA-N 1 1 510.575 5.176 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4c(c5c(n4CC4CCCCC4)CCCC5)C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013586585 561720529 /nfs/dbraw/zinc/72/05/29/561720529.db2.gz YBCPRAGWOJKBRH-OUDZLNJNSA-N 1 1 514.710 5.352 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000013661252 561723455 /nfs/dbraw/zinc/72/34/55/561723455.db2.gz MJJIHQACZGUMQB-ATIYNZHBSA-N 1 1 521.698 6.805 3 0 KKAFMO C[N@H+]1CCCC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc32)c2ccc(I)cc21 ZINC000013674185 561723837 /nfs/dbraw/zinc/72/38/37/561723837.db2.gz KEZJSZDVAAWYLU-HXUWFJFHSA-N 1 1 508.403 6.114 1 0 KKAFMO CC[NH+]1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4Cl)c3)CC2)(c2ccccc2)CC1 ZINC000013686236 561724745 /nfs/dbraw/zinc/72/47/45/561724745.db2.gz VACZJUIZGZSWET-UHFFFAOYSA-N 1 1 532.128 6.267 1 0 KKAFMO CC[NH+]1CCC(C(=O)NC2CCN(Cc3cccc(Oc4ccccc4OC)c3)CC2)(c2ccccc2)CC1 ZINC000013686231 561724761 /nfs/dbraw/zinc/72/47/61/561724761.db2.gz OIZAFWVARZBXFK-UHFFFAOYSA-N 1 1 527.709 5.622 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000013802262 561730803 /nfs/dbraw/zinc/73/08/03/561730803.db2.gz YXSIJTCCPXNLJX-GDLZYMKVSA-N 1 1 509.641 6.237 1 0 KKAFMO COc1cccc2c1CC[C@H]1C[N@@H+](CCn3c(=O)[nH]c4c5ccc(C(F)(F)F)cc5sc4c3=O)C[C@@H]21 ZINC000013807868 561731621 /nfs/dbraw/zinc/73/16/21/561731621.db2.gz HNZVUWXVRHTZSM-IFXJQAMLSA-N 1 1 515.557 5.006 1 0 KKAFMO O=C([O-])c1cccc(CCCC2(O)CC[NH+](C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1 ZINC000013819408 561732471 /nfs/dbraw/zinc/73/24/71/561732471.db2.gz PECQGQFPDDXSPX-IOWSJCHKSA-N 1 1 518.742 5.830 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCCN1CCC(C([NH3+])(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824939 561732827 /nfs/dbraw/zinc/73/28/27/561732827.db2.gz FRYAMFCGKCOODT-UHFFFAOYSA-N 1 1 508.609 5.559 1 0 KKAFMO O=C(c1c2ccc(O)cc2sc1-c1ccc(O)c(Cl)c1)c1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000013834316 561734166 /nfs/dbraw/zinc/73/41/66/561734166.db2.gz CMLISELCGZYWIN-UHFFFAOYSA-N 1 1 508.039 6.729 1 0 KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@H+]4CC[C@H](O)C4)cc3F)cc12 ZINC000014951164 561745990 /nfs/dbraw/zinc/74/59/90/561745990.db2.gz HQBRJIGJLJDFHY-IBGZPJMESA-N 1 1 580.542 5.240 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1scc(C[NH2+]CCOCCO)c1Cl ZINC000014963722 561749175 /nfs/dbraw/zinc/74/91/75/561749175.db2.gz UXFYQNNDCOYLRK-UHFFFAOYSA-N 1 1 542.872 5.311 1 0 KKAFMO CC(=O)OCCN(CCCn1c2ccccc2nc1-c1ccncc1)c1nc(C[NH+]2CCCCC2)cs1 ZINC000015934844 561753094 /nfs/dbraw/zinc/75/30/94/561753094.db2.gz ILNCUXLTCWDVKP-UHFFFAOYSA-N 1 1 518.687 5.001 3 0 KKAFMO CC(=O)n1cc([C@H]2C=C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527428 561755326 /nfs/dbraw/zinc/75/53/26/561755326.db2.gz VTQGVLJZPVITEX-ZBWWXOROSA-N 1 1 579.697 5.069 3 0 KKAFMO COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545875 561756179 /nfs/dbraw/zinc/75/61/79/561756179.db2.gz RQIACJOCHQVTGC-UIOOFZCWSA-N 1 1 620.743 5.091 3 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577504 561756703 /nfs/dbraw/zinc/75/67/03/561756703.db2.gz XTCDAIJNJCCXIT-GZAFRIGSSA-N 1 1 545.048 8.443 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)c1 ZINC000017654041 561757213 /nfs/dbraw/zinc/75/72/13/561757213.db2.gz GHSWAFXMCOVQIF-BIDWXGPBSA-N 1 1 541.135 7.590 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000022454001 561759348 /nfs/dbraw/zinc/75/93/48/561759348.db2.gz RYUYDSMTRQCJHP-VXKWHMMOSA-N 1 1 545.509 5.280 1 0 KKAFMO O=C1N(CCN2CC[NH+]([C@@H]3C[C@@H](c4ccc(F)cc4)c4cc(Cl)ccc43)CC2)CCN1c1ccccc1 ZINC000022940775 561761087 /nfs/dbraw/zinc/76/10/87/561761087.db2.gz IYXNMOCEVXJKKO-LMSSTIIKSA-N 1 1 519.064 5.616 1 0 KKAFMO CC[N@@H+](CCOc1ccc(C=C2SC(=O)NC2=O)cc1)C[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 ZINC000025966398 561763174 /nfs/dbraw/zinc/76/31/74/561763174.db2.gz IDCRXMOPFLSPGO-WZDMNQRASA-N 1 1 510.656 5.126 1 0 KKAFMO COCC[N@H+](C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026265489 561776235 /nfs/dbraw/zinc/77/62/35/561776235.db2.gz RSJLRZYIUMODRU-UHFFFAOYSA-N 1 1 584.648 5.141 1 0 KKAFMO COCC[N@@H+](C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026265489 561776237 /nfs/dbraw/zinc/77/62/37/561776237.db2.gz RSJLRZYIUMODRU-UHFFFAOYSA-N 1 1 584.648 5.141 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000026269827 561777007 /nfs/dbraw/zinc/77/70/07/561777007.db2.gz XIVHPSGQTZETPZ-UHFFFAOYSA-N 1 1 611.718 5.774 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000026269827 561777009 /nfs/dbraw/zinc/77/70/09/561777009.db2.gz XIVHPSGQTZETPZ-UHFFFAOYSA-N 1 1 611.718 5.774 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000026270390 561777171 /nfs/dbraw/zinc/77/71/71/561777171.db2.gz AYWPWTKQQDXIRF-UHFFFAOYSA-N 1 1 554.622 5.168 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000026270390 561777172 /nfs/dbraw/zinc/77/71/72/561777172.db2.gz AYWPWTKQQDXIRF-UHFFFAOYSA-N 1 1 554.622 5.168 1 0 KKAFMO COc1ccc([C@@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271334 561777364 /nfs/dbraw/zinc/77/73/64/561777364.db2.gz HCJPKEPIBGVGBG-JGCGQSQUSA-N 1 1 535.750 7.482 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccc2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272144 561777470 /nfs/dbraw/zinc/77/74/70/561777470.db2.gz KWDOINMAPBZMFT-UHFFFAOYSA-N 1 1 665.810 7.109 1 0 KKAFMO COc1ccc([C@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026274494 561777890 /nfs/dbraw/zinc/77/78/90/561777890.db2.gz ADNUKJKNFPTGRR-XIFFEERXSA-N 1 1 549.777 7.872 1 0 KKAFMO CCCCCS[C@@H](CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275434 561778004 /nfs/dbraw/zinc/77/80/04/561778004.db2.gz JHMLCLNXGMKKNW-PMERELPUSA-N 1 1 515.760 7.304 1 0 KKAFMO CCCC[N@@H+](C)Cc1c(-c2ccc(OC)cc2)nc2n1c(=O)c(-c1ccc3c(c1)OCO3)c(C)n2Cc1ccccc1F ZINC000026276358 561778329 /nfs/dbraw/zinc/77/83/29/561778329.db2.gz OIPJFXCVPBOEOT-UHFFFAOYSA-N 1 1 582.676 6.295 1 0 KKAFMO CC(C)CC[N@H+](c1ccc(NCc2ccc(O)cc2)cc1)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)N2CCCCCC2)CC1 ZINC000026488341 561792901 /nfs/dbraw/zinc/79/29/01/561792901.db2.gz LAIFAPPRGCLVRM-UMSFTDKQSA-N 1 1 605.868 6.848 1 0 KKAFMO CC(C)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[nH+]1 ZINC000026493317 561793757 /nfs/dbraw/zinc/79/37/57/561793757.db2.gz ZYHQCENPVBLQDA-QMGVEFKFSA-N 1 1 576.782 5.887 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)C1 ZINC000026651010 561808285 /nfs/dbraw/zinc/80/82/85/561808285.db2.gz UOHHUHYDRQINME-HTMZANKASA-N 1 1 536.503 5.675 1 0 KKAFMO CC(=O)Nc1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(C)C)cc(C)[nH+]c34)c2Cl)cn1 ZINC000026650303 561808315 /nfs/dbraw/zinc/80/83/15/561808315.db2.gz KXMOCPQLNJCWTL-GXDHUFHOSA-N 1 1 635.552 5.641 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026730623 561816684 /nfs/dbraw/zinc/81/66/84/561816684.db2.gz KTXWLWWFYDYESF-OUDZLNJNSA-N 1 1 520.629 5.152 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026735678 561817362 /nfs/dbraw/zinc/81/73/62/561817362.db2.gz UWZCXFMGRUEOHE-YBLJPNGSSA-N 1 1 520.629 5.152 1 0 KKAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)(C)C ZINC000026837781 561824941 /nfs/dbraw/zinc/82/49/41/561824941.db2.gz JFBBYPUUHAEXCA-VEJIKZNJSA-N 1 1 749.953 5.032 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)Nc1ccc2ccccc2n1 ZINC000026849870 561827088 /nfs/dbraw/zinc/82/70/88/561827088.db2.gz UNEUHPAMWQZDRU-LGCKKZMSSA-N 1 1 669.911 5.719 1 0 KKAFMO CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)N2C[C@@H](C)[N@@H+](CCc3ccccc3)C[C@@H]2C)cc1 ZINC000026955346 561829233 /nfs/dbraw/zinc/82/92/33/561829233.db2.gz MYPRPKLBINTPDI-SZZWIKJPSA-N 1 1 513.726 5.904 1 0 KKAFMO CCC[N@@H+](CCCCCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987903 561832146 /nfs/dbraw/zinc/83/21/46/561832146.db2.gz SHQQFOCNCRFSKP-MUUNZHRXSA-N 1 1 665.839 5.918 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026995139 561833071 /nfs/dbraw/zinc/83/30/71/561833071.db2.gz ZXEQHNWICDWNLO-UMYWFGJBSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026995139 561833073 /nfs/dbraw/zinc/83/30/73/561833073.db2.gz ZXEQHNWICDWNLO-UMYWFGJBSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026995134 561833082 /nfs/dbraw/zinc/83/30/82/561833082.db2.gz ZXEQHNWICDWNLO-NOWQQFBNSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1cccc2ccccc21 ZINC000026995134 561833084 /nfs/dbraw/zinc/83/30/84/561833084.db2.gz ZXEQHNWICDWNLO-NOWQQFBNSA-N 1 1 707.941 6.224 1 0 KKAFMO CCc1nc(Cc2ccccc2)oc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027088376 561836788 /nfs/dbraw/zinc/83/67/88/561836788.db2.gz DUPJTNSPHJHTFW-QTKNLHBISA-N 1 1 573.753 6.505 1 0 KKAFMO CCN(CC)CC(=O)N(CC)c1nc2cc3nc(N(CC)C(=O)C[NH+](CC)CC)sc3c(Br)c2s1 ZINC000027181021 561841714 /nfs/dbraw/zinc/84/17/14/561841714.db2.gz ODUCHZMWPIVHNT-UHFFFAOYSA-N 1 1 583.622 5.058 1 0 KKAFMO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027181860 561841874 /nfs/dbraw/zinc/84/18/74/561841874.db2.gz WLIMHZYQJNAZBO-UMSFTDKQSA-N 1 1 707.847 7.151 1 0 KKAFMO CC(C)CNc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027190677 561843381 /nfs/dbraw/zinc/84/33/81/561843381.db2.gz QWOYYZOKPPWCNN-UHFFFAOYSA-N 1 1 650.795 7.907 1 0 KKAFMO Cc1c[nH+]c(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NC[C@@H]1CCCO1 ZINC000027193050 561843887 /nfs/dbraw/zinc/84/38/87/561843887.db2.gz NMYAIEGIYTUKQX-HKBQPEDESA-N 1 1 635.853 7.759 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000027207613 561846184 /nfs/dbraw/zinc/84/61/84/561846184.db2.gz UCTGXUBCYYWFLY-IZLXSDGUSA-N 1 1 524.661 5.310 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCCCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209064 561846656 /nfs/dbraw/zinc/84/66/56/561846656.db2.gz PGEFKDAJUTWFED-OWTDGCFZSA-N 1 1 633.790 5.620 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccc(I)cc1 ZINC000027209703 561846828 /nfs/dbraw/zinc/84/68/28/561846828.db2.gz VWUYWLASXQATSZ-CRNKYVSFSA-N 1 1 631.501 6.703 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000027326544 561853825 /nfs/dbraw/zinc/85/38/25/561853825.db2.gz MFTBZXGBGMFYDU-UHFFFAOYSA-N 1 1 623.729 5.940 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027326833 561853828 /nfs/dbraw/zinc/85/38/28/561853828.db2.gz IIJLFDXRKDQISI-UHFFFAOYSA-N 1 1 538.623 5.346 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027326833 561853829 /nfs/dbraw/zinc/85/38/29/561853829.db2.gz IIJLFDXRKDQISI-UHFFFAOYSA-N 1 1 538.623 5.346 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)NCCCc2ccccc2)cn3Cc2ccccc2F)cc1 ZINC000027330919 561854882 /nfs/dbraw/zinc/85/48/82/561854882.db2.gz KEJQQOSNDBRTMX-UHFFFAOYSA-N 1 1 697.855 7.689 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)NCCCc2ccccc2)cn3Cc2ccccc2F)cc1 ZINC000027330919 561854883 /nfs/dbraw/zinc/85/48/83/561854883.db2.gz KEJQQOSNDBRTMX-UHFFFAOYSA-N 1 1 697.855 7.689 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027407152 561855631 /nfs/dbraw/zinc/85/56/31/561855631.db2.gz BUJZSMSRKYAWSB-UHFFFAOYSA-N 1 1 580.660 5.723 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027407152 561855632 /nfs/dbraw/zinc/85/56/32/561855632.db2.gz BUJZSMSRKYAWSB-UHFFFAOYSA-N 1 1 580.660 5.723 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CCCCCc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000027424523 561858141 /nfs/dbraw/zinc/85/81/41/561858141.db2.gz NKEMSECOEZGATB-UHFFFAOYSA-N 1 1 599.175 7.903 1 0 KKAFMO COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027547797 561867184 /nfs/dbraw/zinc/86/71/84/561867184.db2.gz LFRFMZVSPPXQJD-PMERELPUSA-N 1 1 514.691 6.782 1 0 KKAFMO COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027547797 561867186 /nfs/dbraw/zinc/86/71/86/561867186.db2.gz LFRFMZVSPPXQJD-PMERELPUSA-N 1 1 514.691 6.782 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccc(C)cc3)(c3ccccc3C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027549287 561867568 /nfs/dbraw/zinc/86/75/68/561867568.db2.gz JICRZQUVMVWMQI-PSXMRANNSA-N 1 1 613.793 8.056 1 0 KKAFMO CCC[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c(-c2ccccc2)cn(Cc2ccccc2)c1[C@@H]3O5 ZINC000027618565 561872137 /nfs/dbraw/zinc/87/21/37/561872137.db2.gz RASYJBAUQKYAME-XZLGBSMGSA-N 1 1 518.657 5.608 1 0 KKAFMO CSC(C)(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027657266 561878070 /nfs/dbraw/zinc/87/80/70/561878070.db2.gz ARBFDFUYDDALSU-GIKUREFASA-N 1 1 701.978 5.359 1 0 KKAFMO [NH3+]CCCN(Cc1ccc(OCCCc2ccccc2)cc1)Cc1ccc(OCCCc2ccccc2)cc1 ZINC000027657716 561878204 /nfs/dbraw/zinc/87/82/04/561878204.db2.gz JSNHSZNFNBOGOQ-UHFFFAOYSA-N 1 1 522.733 7.061 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc1)CC2 ZINC000027657794 561878333 /nfs/dbraw/zinc/87/83/33/561878333.db2.gz AEXVPZYELNSRFS-UHFFFAOYSA-N 1 1 535.644 5.809 1 0 in-vivo KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(C)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658006 561878429 /nfs/dbraw/zinc/87/84/29/561878429.db2.gz RNWITDSGQWLWQU-UHFFFAOYSA-N 1 1 600.719 6.666 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027710048 561879532 /nfs/dbraw/zinc/87/95/32/561879532.db2.gz TZASTBIDWCFCGN-UHFFFAOYSA-N 1 1 586.692 6.357 1 0 in-vivo KKAFMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2Oc2ccccc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000027860347 561887037 /nfs/dbraw/zinc/88/70/37/561887037.db2.gz DZKFKZCCUIAMEG-FIRIVFDPSA-N 1 1 595.143 5.223 1 0 KKAFMO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1 ZINC000027995915 561893769 /nfs/dbraw/zinc/89/37/69/561893769.db2.gz HPNUEYFXCPXUBU-XDFJSJKPSA-N 1 1 556.751 6.157 1 0 KKAFMO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028006399 561895615 /nfs/dbraw/zinc/89/56/15/561895615.db2.gz BRCFAGPWPWYSAX-QOCRQHEPSA-N 1 1 638.850 5.431 1 0 KKAFMO CCn1nc(Cc2ccc(F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028008039 561895990 /nfs/dbraw/zinc/89/59/90/561895990.db2.gz ODVDBGHVIJLFQG-NNYJQHGCSA-N 1 1 564.721 5.776 1 0 KKAFMO CCn1ncc(Cc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008519 561896014 /nfs/dbraw/zinc/89/60/14/561896014.db2.gz ABASHAPKXWJBNZ-VUHKNJSWSA-N 1 1 568.806 6.422 1 0 KKAFMO Cn1ncc(CCc2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028008894 561896056 /nfs/dbraw/zinc/89/60/56/561896056.db2.gz NMBWUFYTQZILMB-VUHKNJSWSA-N 1 1 568.806 6.134 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028009822 561896271 /nfs/dbraw/zinc/89/62/71/561896271.db2.gz NICFFCSRVUXGOH-XIFFEERXSA-N 1 1 594.774 6.602 1 0 KKAFMO CCn1nc(Cc2ccc(Cl)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017818 561897751 /nfs/dbraw/zinc/89/77/51/561897751.db2.gz MXJBFVIZLFDIAO-NNYJQHGCSA-N 1 1 581.176 6.291 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(-c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014306 561897003 /nfs/dbraw/zinc/89/70/03/561897003.db2.gz CAGZIBHOJDZLGX-WOFKWEEXSA-N 1 1 636.856 7.694 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028014062 561897010 /nfs/dbraw/zinc/89/70/10/561897010.db2.gz PSOBWSAKQGYGMP-MGBGTMOVSA-N 1 1 594.774 6.602 1 0 KKAFMO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014301 561897012 /nfs/dbraw/zinc/89/70/12/561897012.db2.gz IZOGIEBLWOHFCN-QYGIXFTLSA-N 1 1 636.856 7.694 1 0 KKAFMO CCn1nc(Cc2ccc3c(c2)OCO3)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028019479 561898174 /nfs/dbraw/zinc/89/81/74/561898174.db2.gz FEKNIQDVBGNYIH-NEUJRDPRSA-N 1 1 604.767 5.756 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020373 561898426 /nfs/dbraw/zinc/89/84/26/561898426.db2.gz LDQZTCUONOGUGB-YTTGMZPUSA-N 1 1 580.747 6.212 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccccc1 ZINC000028108351 561902631 /nfs/dbraw/zinc/90/26/31/561902631.db2.gz SDHHOFBLTRTNNH-AZGAKELHSA-N 1 1 516.605 5.248 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028129249 561905346 /nfs/dbraw/zinc/90/53/46/561905346.db2.gz GETZJGVTPRSRQI-WDYNHAJCSA-N 1 1 584.727 6.614 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@H+](C3CCC(C)(C)CC3)C2)C1 ZINC000028129243 561905393 /nfs/dbraw/zinc/90/53/93/561905393.db2.gz GETZJGVTPRSRQI-FQLXRVMXSA-N 1 1 584.727 6.614 1 0 KKAFMO FC(F)(F)CC[N@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133806 561906237 /nfs/dbraw/zinc/90/62/37/561906237.db2.gz DJBNVTCUMQWCCW-UHFFFAOYSA-N 1 1 576.821 8.863 1 0 KKAFMO FC(F)(F)CC[N@@H+](CCc1ccccc1)Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028133806 561906239 /nfs/dbraw/zinc/90/62/39/561906239.db2.gz DJBNVTCUMQWCCW-UHFFFAOYSA-N 1 1 576.821 8.863 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134778 561906478 /nfs/dbraw/zinc/90/64/78/561906478.db2.gz IMCGOKASJNONCI-NIYFSFCBSA-N 1 1 513.469 5.121 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CCC[C@@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217969 561907043 /nfs/dbraw/zinc/90/70/43/561907043.db2.gz RWAXNKUPBSKCHC-RUZDIDTESA-N 1 1 509.593 5.593 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028109907 561902927 /nfs/dbraw/zinc/90/29/27/561902927.db2.gz MKDZXXZHCALEBM-UHFFFAOYSA-N 1 1 564.748 6.246 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028239287 561910232 /nfs/dbraw/zinc/91/02/32/561910232.db2.gz JIAFQKZOSKMEQV-UHFFFAOYSA-N 1 1 609.698 6.848 1 0 KKAFMO CO[P@](=O)(CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccccc1 ZINC000028236801 561909776 /nfs/dbraw/zinc/90/97/76/561909776.db2.gz RPBLAMOSILDGGB-SHLBTRJHSA-N 1 1 556.659 5.447 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028378931 561919742 /nfs/dbraw/zinc/91/97/42/561919742.db2.gz COHTXYYWIPOUJZ-UHFFFAOYSA-N 1 1 547.548 5.231 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000028378931 561919744 /nfs/dbraw/zinc/91/97/44/561919744.db2.gz COHTXYYWIPOUJZ-UHFFFAOYSA-N 1 1 547.548 5.231 1 0 KKAFMO CN1CC[C@H]([N@@H+](C)CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)C1 ZINC000028379898 561919980 /nfs/dbraw/zinc/91/99/80/561919980.db2.gz BXBBTGROZZZYEE-SFHVURJKSA-N 1 1 568.061 5.650 1 0 KKAFMO CCC[N@@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028457615 561924135 /nfs/dbraw/zinc/92/41/35/561924135.db2.gz NIUSUERMVMTRCX-UHFFFAOYSA-N 1 1 518.627 7.677 1 0 KKAFMO CCC[N@H+](CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028462275 561925545 /nfs/dbraw/zinc/92/55/45/561925545.db2.gz OSRRMBKQZCBOKZ-UHFFFAOYSA-N 1 1 510.526 7.387 1 0 KKAFMO CCC[N@@H+](CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C ZINC000028462275 561925546 /nfs/dbraw/zinc/92/55/46/561925546.db2.gz OSRRMBKQZCBOKZ-UHFFFAOYSA-N 1 1 510.526 7.387 1 0 KKAFMO O=C1N(CC[N@H+](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028520647 561928964 /nfs/dbraw/zinc/92/89/64/561928964.db2.gz JMZQVZXDDGZTNB-UHFFFAOYSA-N 1 1 527.068 6.225 1 0 KKAFMO COc1ccc(-c2cc(SC)n(-c3nc(N4CCN(Cc5ccccc5)CC4)nc(N4CC[NH+](Cc5ccccc5)CC4)n3)n2)cc1OC ZINC000028527127 561932415 /nfs/dbraw/zinc/93/24/15/561932415.db2.gz REIDTCHJGMUOJN-UHFFFAOYSA-N 1 1 677.879 5.108 1 0 KKAFMO C[C@]12CC[C@@H](NC(=O)C3(c4ccccc4)CCCC3)C[C@@]1(c1cccc(O)c1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000028530723 561934876 /nfs/dbraw/zinc/93/48/76/561934876.db2.gz NLBUQUOOGHMLGR-LUXRKADZSA-N 1 1 550.787 7.156 1 0 KKAFMO CCOC(=O)N(CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)C(C)C ZINC000028569630 561938324 /nfs/dbraw/zinc/93/83/24/561938324.db2.gz HXKRGRRDOBSQCO-CZNDPXEESA-N 1 1 651.292 6.138 1 0 KKAFMO Cc1ccccc1-c1nc(N2CC[NH+](C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571715 561939555 /nfs/dbraw/zinc/93/95/55/561939555.db2.gz SONFWIYUKIBJQD-UHFFFAOYSA-N 1 1 551.535 5.514 1 0 KKAFMO COc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)c1 ZINC000028572263 561939860 /nfs/dbraw/zinc/93/98/60/561939860.db2.gz UDRPONFHRUHHQA-OROMBRFGSA-N 1 1 548.625 5.445 1 0 KKAFMO CCN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646150 561944680 /nfs/dbraw/zinc/94/46/80/561944680.db2.gz ZVQKMPSKLZYTED-JGCGQSQUSA-N 1 1 502.722 5.298 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646195 561944752 /nfs/dbraw/zinc/94/47/52/561944752.db2.gz NJQRVTFMTFWWTH-WJOKGBTCSA-N 1 1 505.150 5.422 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000028646228 561944882 /nfs/dbraw/zinc/94/48/82/561944882.db2.gz IHHDHTXBALMXOF-HKBQPEDESA-N 1 1 538.702 5.788 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646198 561944912 /nfs/dbraw/zinc/94/49/12/561944912.db2.gz DHBLNDNHOSFWJG-HKBQPEDESA-N 1 1 549.601 5.531 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702906 561947491 /nfs/dbraw/zinc/94/74/91/561947491.db2.gz SSLRKYCBEPQPOB-JXWWNXESSA-N 1 1 732.816 8.520 1 0 KKAFMO CCCCCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704029 561948101 /nfs/dbraw/zinc/94/81/01/561948101.db2.gz PZTOZWZKJLRLIC-SVVQVXAZSA-N 1 1 620.722 9.156 1 0 KKAFMO CC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704000 561948138 /nfs/dbraw/zinc/94/81/38/561948138.db2.gz FEHOZFOZMBPRSW-WMQPQHNASA-N 1 1 564.614 7.596 1 0 KKAFMO CCCCCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704078 561948325 /nfs/dbraw/zinc/94/83/25/561948325.db2.gz FONMXWMXXFXJLM-JPXPHEEESA-N 1 1 570.715 8.277 1 0 KKAFMO C[NH+]1CCN(CCCCOc2ccc(-c3cc(-c4cccc(Cl)c4)nc4c3CC(=O)Nc3ccccc3-4)cc2)CC1 ZINC000028704158 561948394 /nfs/dbraw/zinc/94/83/94/561948394.db2.gz OFRBUOPHDSHXIY-UHFFFAOYSA-N 1 1 567.133 6.637 1 0 KKAFMO COCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3[nH]cc[nH+]3)cc2)C1=O ZINC000028711958 561952636 /nfs/dbraw/zinc/95/26/36/561952636.db2.gz NYWUHONUPUTNHO-UHFFFAOYSA-N 1 1 500.647 5.877 1 0 KKAFMO Cc1ccccc1-c1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000028711928 561952639 /nfs/dbraw/zinc/95/26/39/561952639.db2.gz MNVDKXPJRHTVKG-NRFANRHFSA-N 1 1 540.029 7.357 1 0 KKAFMO CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc32)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc21 ZINC000028763284 561958682 /nfs/dbraw/zinc/95/86/82/561958682.db2.gz PCTRFEFAISPTOT-BHVANESWSA-N 1 1 735.888 5.127 1 0 KKAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000028818484 561965185 /nfs/dbraw/zinc/96/51/85/561965185.db2.gz XLEBNXXELANZQW-VXKWHMMOSA-N 1 1 526.106 5.094 1 0 KKAFMO COc1cc(-c2csc3c2c(N)ncc3/C=C/C[NH+]2CCN(c3ccccc3)CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822591 561967327 /nfs/dbraw/zinc/96/73/27/561967327.db2.gz MUWSIXAPOWUMQR-CSKARUKUSA-N 1 1 628.802 7.134 1 0 KKAFMO C[C@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000028824131 561969030 /nfs/dbraw/zinc/96/90/30/561969030.db2.gz ZMFVDWKCDJOJTP-OAQYLSRUSA-N 1 1 518.061 5.187 1 0 KKAFMO COCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](C)c3ccco3)sc21 ZINC000028901688 561980066 /nfs/dbraw/zinc/98/00/66/561980066.db2.gz MNRSOCSLHRGHDZ-GOSISDBHSA-N 1 1 528.074 5.121 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@@H]3CCCC[N@@H+]3CC(C)C)n2)s1 ZINC000028961214 561984061 /nfs/dbraw/zinc/98/40/61/561984061.db2.gz OYFNKNKHBNWRMV-QFIPXVFZSA-N 1 1 598.695 7.445 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1 ZINC000028961673 561984345 /nfs/dbraw/zinc/98/43/45/561984345.db2.gz ULUYZUAQIFOWDD-UHFFFAOYSA-N 1 1 630.855 5.698 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+]2CC[C@H](C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000028961725 561984440 /nfs/dbraw/zinc/98/44/40/561984440.db2.gz ATYOFXVORANGGC-JONXMXLVSA-N 1 1 630.899 6.304 1 0 KKAFMO CC[NH+]1CCN(C(=O)c2cc(Sc3cnc(Nc4cccc(Br)n4)s3)ccc2C)CC1 ZINC000029038356 561988871 /nfs/dbraw/zinc/98/88/71/561988871.db2.gz JUFJPPYYAUZVAR-UHFFFAOYSA-N 1 1 518.506 5.282 1 0 KKAFMO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccccc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976264 561986735 /nfs/dbraw/zinc/98/67/35/561986735.db2.gz LWTMZLIZOAGEGL-GDLZYMKVSA-N 1 1 536.657 6.214 1 0 KKAFMO C[NH+]1CCN([C@H](C(=O)Nc2ccc(Cl)cc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976458 561986831 /nfs/dbraw/zinc/98/68/31/561986831.db2.gz HMGVMMLIJSUGHR-SANMLTNESA-N 1 1 534.085 5.316 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(SC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048489 561993540 /nfs/dbraw/zinc/99/35/40/561993540.db2.gz VXZHXKSQMMJRQM-SMCANUKXSA-N 1 1 571.146 7.083 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(OC)c(OC)c(OC)c2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048666 561993679 /nfs/dbraw/zinc/99/36/79/561993679.db2.gz YJNVCOLWOAEBNR-IUDBTDONSA-N 1 1 615.130 6.387 1 0 KKAFMO CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)OC)N2CCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000029048888 561993783 /nfs/dbraw/zinc/99/37/83/561993783.db2.gz CWSMPYQZXVYLHM-XLJNKUFUSA-N 1 1 553.106 6.923 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C(C)C)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049217 561993908 /nfs/dbraw/zinc/99/39/08/561993908.db2.gz UJLIZNBTYSCBBF-XLJNKUFUSA-N 1 1 553.106 7.094 1 0 KKAFMO Cc1nc2c(cc(Cl)c3c2CC[N@@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029126962 561999170 /nfs/dbraw/zinc/99/91/70/561999170.db2.gz HULQLOOBDVQQSC-UHFFFAOYSA-N 1 1 533.101 6.025 1 0 KKAFMO Cc1nc2c(cc(Cl)c3c2CC[N@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029126962 561999172 /nfs/dbraw/zinc/99/91/72/561999172.db2.gz HULQLOOBDVQQSC-UHFFFAOYSA-N 1 1 533.101 6.025 1 0 KKAFMO CCc1nc2cc3c(c(C)c2o1)CC[N@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126988 561999185 /nfs/dbraw/zinc/99/91/85/561999185.db2.gz VNUWHBRXYDCOFA-FQEVSTJZSA-N 1 1 540.737 6.322 1 0 KKAFMO COc1ccc([C@H]2[C@@H]3CCC[N@H+]3[C@]3(c4ccccc4NC3=O)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127063 561999371 /nfs/dbraw/zinc/99/93/71/561999371.db2.gz PHOVRFFBNBIKQH-HMINTENPSA-N 1 1 505.618 5.032 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029127078 561999441 /nfs/dbraw/zinc/99/94/41/561999441.db2.gz WAWZDKTUQQRILI-UHFFFAOYSA-N 1 1 552.626 6.000 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[N@H+]3CCc4cc5nc(C(F)(F)F)oc5c(C)c4CC3)n2C)n1 ZINC000029127078 561999442 /nfs/dbraw/zinc/99/94/42/561999442.db2.gz WAWZDKTUQQRILI-UHFFFAOYSA-N 1 1 552.626 6.000 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127465 561999871 /nfs/dbraw/zinc/99/98/71/561999871.db2.gz RLYPJRVMOKDHBV-UHFFFAOYSA-N 1 1 540.737 5.286 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1 ZINC000029130309 562002418 /nfs/dbraw/zinc/00/24/18/562002418.db2.gz VXLNOYAINXJRCV-UHFFFAOYSA-N 1 1 596.674 6.888 1 0 KKAFMO COc1ccc([C@H](c2cccs2)c2ccc(OC[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130401 562002589 /nfs/dbraw/zinc/00/25/89/562002589.db2.gz VGQVERFTHHEIEQ-NSJVFKKDSA-N 1 1 528.718 5.494 1 0 KKAFMO COc1c(C)c(Cc2ccc(CC(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)cc2)c(OC)c2ccccc21 ZINC000029135167 562004409 /nfs/dbraw/zinc/00/44/09/562004409.db2.gz OKCQHTFRNJVCNO-UHFFFAOYSA-N 1 1 554.090 6.729 1 0 KKAFMO CSCC[C@H]([NH3+])C(=O)OCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029224657 562007866 /nfs/dbraw/zinc/00/78/66/562007866.db2.gz PAHOUUCJGCUYKN-QFIPXVFZSA-N 1 1 533.477 5.315 1 0 KKAFMO CCCCC1(CCCC)C[N@H+]([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1 ZINC000029404637 562020440 /nfs/dbraw/zinc/02/04/40/562020440.db2.gz REWMMSRDWPLSDM-ZULJPCJZSA-N 1 1 529.806 6.204 1 0 KKAFMO O=C(CCCO)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029396813 562018698 /nfs/dbraw/zinc/01/86/98/562018698.db2.gz PLXWZXXKIRQBQS-UHFFFAOYSA-N 1 1 538.479 5.018 1 0 KKAFMO O=C(CCCOCc1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403256 562020193 /nfs/dbraw/zinc/02/01/93/562020193.db2.gz SFKBJBVNYNJFSK-UHFFFAOYSA-N 1 1 628.604 7.242 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3cc(Cl)cc(Cl)c3)CC2)c2ccccc21 ZINC000029488507 562028968 /nfs/dbraw/zinc/02/89/68/562028968.db2.gz ZBCUXUXOFUUEKE-HHHXNRCGSA-N 1 1 602.584 5.008 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](Cc4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 ZINC000029544953 562029468 /nfs/dbraw/zinc/02/94/68/562029468.db2.gz VUWBYSXJTSFIKC-OQBISYOISA-N 1 1 531.700 7.931 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](Cc4ccccc4)[C@@H]2N3Cc2ccccc2)cc1 ZINC000029544953 562029470 /nfs/dbraw/zinc/02/94/70/562029470.db2.gz VUWBYSXJTSFIKC-OQBISYOISA-N 1 1 531.700 7.931 1 0 KKAFMO [NH3+]CCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnc[nH]1 ZINC000029551546 562031158 /nfs/dbraw/zinc/03/11/58/562031158.db2.gz IKTFQNGZGUOWLG-GFRPZHATSA-N 1 1 668.835 6.077 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)CCC3)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555092 562031947 /nfs/dbraw/zinc/03/19/47/562031947.db2.gz XYVHGSPNHFSKDW-PMERELPUSA-N 1 1 532.706 5.773 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@H+]1CCC[C@@H](Oc3ccc(C=C4SC(=O)NC4=O)cc3)C1)C(C)(C)O2 ZINC000029568690 562035063 /nfs/dbraw/zinc/03/50/63/562035063.db2.gz VCBUSSFRFSIRMS-WMGNFNAESA-N 1 1 612.792 7.313 1 0 KKAFMO CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503566 562037377 /nfs/dbraw/zinc/03/73/77/562037377.db2.gz FSIBUKMTKYVVLL-PVTPYKNESA-N 1 1 500.687 5.005 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)o1 ZINC000034800095 562040784 /nfs/dbraw/zinc/04/07/84/562040784.db2.gz HTIFVTQSFKUCDX-UHFFFAOYSA-N 1 1 563.079 6.000 1 0 KKAFMO COc1cc([C@@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000034961431 562044192 /nfs/dbraw/zinc/04/41/92/562044192.db2.gz OFSNSRZUEWQAFB-GHTZIAJQSA-N 1 1 525.642 5.398 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc(I)c3)c3ccccc32)CC1 ZINC000036089428 562046951 /nfs/dbraw/zinc/04/69/51/562046951.db2.gz XJHVQDXRGJFCPP-UHFFFAOYSA-N 1 1 571.850 5.067 1 0 KKAFMO CC(C)(C)NC(=O)Nc1cccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c21 ZINC000036176882 562049393 /nfs/dbraw/zinc/04/93/93/562049393.db2.gz RQIXEOXMOHDTLC-UHFFFAOYSA-N 1 1 514.678 5.481 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036177586 562049434 /nfs/dbraw/zinc/04/94/34/562049434.db2.gz HWBDUMFRVQEBPH-PKNBQFBNSA-N 1 1 537.919 6.186 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](CC)Cc3ccccc3)c2c1=O ZINC000036331648 562056735 /nfs/dbraw/zinc/05/67/35/562056735.db2.gz CFLDETIROACOKJ-UHFFFAOYSA-N 1 1 596.749 6.994 1 0 KKAFMO CCOC(=O)c1cn(Cc2cccc(F)c2)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331658 562056818 /nfs/dbraw/zinc/05/68/18/562056818.db2.gz PCSCULKWGQNCKH-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO CCOC(=O)c1cn(Cc2cccc(F)c2)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331658 562056820 /nfs/dbraw/zinc/05/68/20/562056820.db2.gz PCSCULKWGQNCKH-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000036351476 562058307 /nfs/dbraw/zinc/05/83/07/562058307.db2.gz CZSUCMAQMLGPBX-JSOSNVBQSA-N 1 1 627.151 6.931 1 0 KKAFMO COc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351549 562058509 /nfs/dbraw/zinc/05/85/09/562058509.db2.gz GCGBTYFYLYFXGB-KODFZCBSSA-N 1 1 515.073 5.079 1 0 KKAFMO C[C@H]1C[N@@H+](C/C=C/c2ccccc2)[C@@H]2C[C@@H](NC(=O)C(C)(C)c3ccccc3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147749 562065573 /nfs/dbraw/zinc/06/55/73/562065573.db2.gz ASBPTJRKOKLUNT-XQKJNEPASA-N 1 1 508.706 6.310 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000038157239 562068593 /nfs/dbraw/zinc/06/85/93/562068593.db2.gz FJGKVFWXFGAENH-OFVILXPXSA-N 1 1 559.585 5.799 1 0 KKAFMO O=c1ccc(-c2ccc(C(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c[nH]1 ZINC000038157854 562069556 /nfs/dbraw/zinc/06/95/56/562069556.db2.gz ZXKSAIRBLNKHSW-UHFFFAOYSA-N 1 1 522.546 6.384 1 0 KKAFMO C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCC[NH+]2CCN(C)CC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377629 562071517 /nfs/dbraw/zinc/07/15/17/562071517.db2.gz NUKCQDDVORQLDB-OLILMLBXSA-N 1 1 706.456 6.109 1 0 KKAFMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4cccc5cccc(c45)C3=O)[C@]23CCc2c4ccccc4[nH]c2C3=O)cc1 ZINC000040420264 562075575 /nfs/dbraw/zinc/07/55/75/562075575.db2.gz AFRODRJMTDVWIX-BIWWMPFASA-N 1 1 512.609 6.266 1 0 KKAFMO Fc1ccc2c(c1)nc(-c1ccccn1)n2-c1ccc(OCCC[NH+]2Cc3cccc4cccc(c43)C2)cc1 ZINC000040424367 562076446 /nfs/dbraw/zinc/07/64/46/562076446.db2.gz LCCSFQDTRXDOQO-UHFFFAOYSA-N 1 1 514.604 7.165 1 0 KKAFMO O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000040827837 562079978 /nfs/dbraw/zinc/07/99/78/562079978.db2.gz KXHUUIJDLZRBQX-VXMNRCMCSA-N 1 1 521.701 6.475 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040936219 562085140 /nfs/dbraw/zinc/08/51/40/562085140.db2.gz VRZJRRFRFQRESG-ZRZAMGCNSA-N 1 1 501.646 5.359 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040936219 562085141 /nfs/dbraw/zinc/08/51/41/562085141.db2.gz VRZJRRFRFQRESG-ZRZAMGCNSA-N 1 1 501.646 5.359 1 0 KKAFMO O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@@H]([N@@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937371 562085404 /nfs/dbraw/zinc/08/54/04/562085404.db2.gz VKLJOUGRSNUTNZ-XMMPIXPASA-N 1 1 521.652 6.299 1 0 in-vitro KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)CSC(=S)N1CCCC1 ZINC000040952144 562086144 /nfs/dbraw/zinc/08/61/44/562086144.db2.gz HMYAEJVTRKONJY-GMAHTHKFSA-N 1 1 512.663 5.622 1 0 KKAFMO Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)[C@@H]3CCC[C@@H]4CCC=C[C@@H]4C3)ccc2O)Cc2ccc[nH]2)cc[nH+]1 ZINC000085631970 560067717 /nfs/dbraw/zinc/06/77/17/560067717.db2.gz VLKPGPTZTIOCQE-IMRGBDRBSA-N 1 1 572.770 6.096 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(C[C@@H]4CCCC45CCCC5)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000085532477 560072598 /nfs/dbraw/zinc/07/25/98/560072598.db2.gz AABJOSWGDPWIAI-MGJHEIJWSA-N 1 1 523.714 6.113 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCC(C)C)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532524 560072751 /nfs/dbraw/zinc/07/27/51/560072751.db2.gz FODZFLQQLFGKHZ-OACMKAMESA-N 1 1 521.698 5.734 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532390 560072766 /nfs/dbraw/zinc/07/27/66/560072766.db2.gz GCHYOCHSQNIWCE-VZDVRXESSA-N 1 1 509.687 5.602 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532493 560072780 /nfs/dbraw/zinc/07/27/80/560072780.db2.gz PPLPUWATLMUHBI-IISINQDCSA-N 1 1 535.725 6.124 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCC[N@H+]2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(C)=C2OC)[C@H]4C)c1 ZINC000085532511 560072784 /nfs/dbraw/zinc/07/27/84/560072784.db2.gz YBAXYFIRBJPAFO-MDLSCIRGSA-N 1 1 575.790 7.002 1 0 biogenic,in-vitro KKAFMO CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@H+]21)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532423 560072863 /nfs/dbraw/zinc/07/28/63/560072863.db2.gz TYTHLLRPVXKIIW-WYLFRODCSA-N 1 1 559.747 6.439 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532312 560073016 /nfs/dbraw/zinc/07/30/16/560073016.db2.gz REZMSXNLULQIBG-MTSBFQQFSA-N 1 1 545.720 5.900 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@H+]4[C@H]3C[C@@H]3CCC4=CC[C@H](C)C[C@@H]4[C@@]35O)[C@H]2[C@@H]1C ZINC000085532241 560073031 /nfs/dbraw/zinc/07/30/31/560073031.db2.gz RWHXQYADASQZGM-MTNRTOELSA-N 1 1 531.693 5.520 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)[N@H+]13 ZINC000085511861 560073784 /nfs/dbraw/zinc/07/37/84/560073784.db2.gz NEKIHSCHYFCIRU-XSPVPKSASA-N 1 1 579.690 5.170 1 0 biogenic,in-vitro KKAFMO Cc1nc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)cc(NCc2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000043062339 562645208 /nfs/dbraw/zinc/64/52/08/562645208.db2.gz MZKILMUYEGIFOO-HFJWLAOPSA-N 1 1 603.914 8.659 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@@H]1CCC[C@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000043589888 562650067 /nfs/dbraw/zinc/65/00/67/562650067.db2.gz CKYOUSJBAOMLEO-YDOVEJIGSA-N 1 1 582.113 5.455 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(C[NH+]2CCC(c3ccccc3)CC2)nn1)OC1CCCC1 ZINC000044069410 562652043 /nfs/dbraw/zinc/65/20/43/562652043.db2.gz UOSKDHUODIIBLH-PXLJZGITSA-N 1 1 577.773 6.722 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(C)c3C)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000044280869 562652937 /nfs/dbraw/zinc/65/29/37/562652937.db2.gz OOKWAKNAKCWKGD-BNHMMOKISA-N 1 1 637.821 5.835 1 0 KKAFMO NC(=[NH2+])c1ccc2[nH]c(-c3ccc4nc(-c5ccc(OCc6ccccc6)c(OCc6ccccc6)c5)[nH]c4c3)nc2c1 ZINC000044305903 562653603 /nfs/dbraw/zinc/65/36/03/562653603.db2.gz POLZAHKUZBDJDN-UHFFFAOYSA-N 1 1 564.649 7.215 1 0 KKAFMO NC(=[NH2+])c1ccc2nc(-c3ccc4[nH]c(-c5ccc(OCc6ccccc6)c(OCc6ccccc6)c5)nc4c3)[nH]c2c1 ZINC000044305903 562653604 /nfs/dbraw/zinc/65/36/04/562653604.db2.gz POLZAHKUZBDJDN-UHFFFAOYSA-N 1 1 564.649 7.215 1 0 KKAFMO CC[N@@H+](CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416755 562656986 /nfs/dbraw/zinc/65/69/86/562656986.db2.gz UPQMKAIHADRBKX-QFIPXVFZSA-N 1 1 568.187 5.988 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000045193088 562658680 /nfs/dbraw/zinc/65/86/80/562658680.db2.gz PEFHORCHHWGDBL-XETPZZHUSA-N 1 1 522.904 6.297 1 0 KKAFMO O=C(C=Cc1ccc(Cl)c(Cl)c1)NC1CCC(C[NH+]2CCC(c3nc4ccc(O)cc4[nH]3)CC2)CC1 ZINC000045195549 562658872 /nfs/dbraw/zinc/65/88/72/562658872.db2.gz JUMIFVCQKIPSBN-ONNFQVAWSA-N 1 1 527.496 6.143 1 0 KKAFMO Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CC[NH+](CCNC(=O)c4cccs4)CC2)CCC3)cc1 ZINC000045201487 562659057 /nfs/dbraw/zinc/65/90/57/562659057.db2.gz ZVBKIWJCKGKWSK-UHFFFAOYSA-N 1 1 513.707 5.454 1 0 KKAFMO COc1cc2c(c(Cl)c1OC)CC[N@@H+](Cc1ccccc1)C[C@@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201380 562659075 /nfs/dbraw/zinc/65/90/75/562659075.db2.gz QQMFIUATCMBQRK-JOCHJYFZSA-N 1 1 518.963 6.048 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@@H](c2c[nH]c3ccccc32)[C@@H](O)C1 ZINC000045202496 562659184 /nfs/dbraw/zinc/65/91/84/562659184.db2.gz KXZLPSIOZXQKOP-NQYHZCBFSA-N 1 1 500.470 5.625 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000045226775 562659333 /nfs/dbraw/zinc/65/93/33/562659333.db2.gz SDXRGTOIFTWANP-BNCSFYMNSA-N 1 1 522.904 6.297 1 0 KKAFMO CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302197 562660592 /nfs/dbraw/zinc/66/05/92/562660592.db2.gz FTQVYVFAAPRQJU-NRFANRHFSA-N 1 1 516.629 6.863 1 0 KKAFMO COC(=O)c1cccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)c1 ZINC000045302590 562660662 /nfs/dbraw/zinc/66/06/62/562660662.db2.gz ZFOYEFAKHZZNHL-UHFFFAOYSA-N 1 1 515.535 6.992 1 0 KKAFMO Cn1cnc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4ccc(F)cc4)CC2)CC3)c1 ZINC000045302627 562660666 /nfs/dbraw/zinc/66/06/66/562660666.db2.gz PCMHHNMXAPFATH-AWNIVKPZSA-N 1 1 500.662 5.405 1 0 KKAFMO Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc1)CC2 ZINC000045302711 562660700 /nfs/dbraw/zinc/66/07/00/562660700.db2.gz UGZCENGMQDZDFY-DEOSSOPVSA-N 1 1 522.571 5.613 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000045317825 562660886 /nfs/dbraw/zinc/66/08/86/562660886.db2.gz GGBHRKPDSPZDTC-HSZRJFAPSA-N 1 1 523.621 5.281 1 0 KKAFMO CCCCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000045321571 562661066 /nfs/dbraw/zinc/66/10/66/562661066.db2.gz MDOBMFVRAIEFSI-LJQANCHMSA-N 1 1 511.610 5.138 1 0 KKAFMO CS(=O)(=O)NCCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045324852 562661237 /nfs/dbraw/zinc/66/12/37/562661237.db2.gz WKHROYMXFJFFOD-UHFFFAOYSA-N 1 1 508.591 5.006 1 0 KKAFMO Oc1cc(-c2nc(C3(C[NH2+]Cc4ccc(Cl)cc4)CCCCC3)[nH]c2-c2ccncc2)ccc1Cl ZINC000045334976 562661356 /nfs/dbraw/zinc/66/13/56/562661356.db2.gz UMKVYGIGRBCDBA-UHFFFAOYSA-N 1 1 507.465 7.143 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045385635 562662357 /nfs/dbraw/zinc/66/23/57/562662357.db2.gz UUGGIAKGPDBAOH-GOXGLGGOSA-N 1 1 532.128 6.005 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045385635 562662358 /nfs/dbraw/zinc/66/23/58/562662358.db2.gz UUGGIAKGPDBAOH-GOXGLGGOSA-N 1 1 532.128 6.005 1 0 KKAFMO O=C1C=C(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)/C(=C/c2ccc(F)cc2)O1 ZINC000045389429 562662508 /nfs/dbraw/zinc/66/25/08/562662508.db2.gz QGMYVVRYSJEWCC-NTFVMDSBSA-N 1 1 513.012 6.395 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000048307342 562663011 /nfs/dbraw/zinc/66/30/11/562663011.db2.gz BTGARQGHTCRAIZ-CTSIERMWSA-N 1 1 581.544 6.981 1 0 KKAFMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)cc1 ZINC000048308898 562663162 /nfs/dbraw/zinc/66/31/62/562663162.db2.gz BVSWRDJFHGJWQP-UHFFFAOYSA-N 1 1 535.591 6.609 1 0 KKAFMO Cc1nnc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)[C@@H](Nc4[nH]c5ccccc5[nH+]4)[C@H]3SC2)s1 ZINC000049593005 562664950 /nfs/dbraw/zinc/66/49/50/562664950.db2.gz HGCGZFPTMCJOSP-UFHPHHKVSA-N 1 1 626.789 5.798 1 0 KKAFMO COc1ccccc1CC[N@@H+](C)CCN1CCC(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049605063 562665260 /nfs/dbraw/zinc/66/52/60/562665260.db2.gz JMQKVALMMGFCPU-UHFFFAOYSA-N 1 1 539.642 5.750 1 0 KKAFMO COc1ccccc1CCN(C)CC[NH+]1CCC(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049605063 562665261 /nfs/dbraw/zinc/66/52/61/562665261.db2.gz JMQKVALMMGFCPU-UHFFFAOYSA-N 1 1 539.642 5.750 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(C[NH2+]Cc5cnn(-c6ccccc6)n5)c4)c3)nc2c1 ZINC000049605062 562665298 /nfs/dbraw/zinc/66/52/98/562665298.db2.gz GVVRNTFBEWLVJR-UHFFFAOYSA-N 1 1 524.550 6.786 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(I)c(O[C@H]3CC[N@H+](C)C3)c2)C1 ZINC000049605256 562665553 /nfs/dbraw/zinc/66/55/53/562665553.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 1 1 674.649 5.124 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(I)c(O[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000049605256 562665554 /nfs/dbraw/zinc/66/55/54/562665554.db2.gz DQVCKJWIKFWCDB-GNKBHMEESA-N 1 1 674.649 5.124 1 0 KKAFMO COc1cccc(C2CCN(CC[NH+]3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1 ZINC000049605270 562665611 /nfs/dbraw/zinc/66/56/11/562665611.db2.gz QBHNCWLFBBZUIN-UHFFFAOYSA-N 1 1 565.680 6.455 1 0 KKAFMO CN(C)CC(=O)N(Cc1csc(-c2ccc(C[NH2+]Cc3ccccc3)cc2)n1)Cc1ccc(Cl)c(Cl)c1 ZINC000049605324 562665676 /nfs/dbraw/zinc/66/56/76/562665676.db2.gz OPLDPJWPOFLJFT-UHFFFAOYSA-N 1 1 553.559 6.497 1 0 KKAFMO C[NH+]1CCN(Cc2cccc(-c3cc4nccc(Nc5ccc(Oc6ccccc6)cc5)c4cc3Cl)c2)CC1 ZINC000049605309 562665684 /nfs/dbraw/zinc/66/56/84/562665684.db2.gz LLFWLMNOCZOMDD-UHFFFAOYSA-N 1 1 535.091 7.839 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049605389 562665783 /nfs/dbraw/zinc/66/57/83/562665783.db2.gz PMKUFGAWQQIJAH-YRNVUSSQSA-N 1 1 619.943 7.595 1 0 KKAFMO C[NH+]1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000049605407 562665867 /nfs/dbraw/zinc/66/58/67/562665867.db2.gz TXYGWIXOYDLGPQ-UHFFFAOYSA-N 1 1 558.004 5.958 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049605660 562666166 /nfs/dbraw/zinc/66/61/66/562666166.db2.gz ZSYUYCGOXXOFOB-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049605660 562666167 /nfs/dbraw/zinc/66/61/67/562666167.db2.gz ZSYUYCGOXXOFOB-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049605660 562666168 /nfs/dbraw/zinc/66/61/68/562666168.db2.gz ZSYUYCGOXXOFOB-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049605726 562666323 /nfs/dbraw/zinc/66/63/23/562666323.db2.gz LFINXGGKQGHRTK-KDXMTYKHSA-N 1 1 591.755 7.787 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605730 562666330 /nfs/dbraw/zinc/66/63/30/562666330.db2.gz FWOCVWATTUPVMG-XUVXKRRUSA-N 1 1 572.364 6.586 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1 ZINC000049626398 562667184 /nfs/dbraw/zinc/66/71/84/562667184.db2.gz YYILXHAZJSPIFY-UHFFFAOYSA-N 1 1 552.600 8.477 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000049626467 562667220 /nfs/dbraw/zinc/66/72/20/562667220.db2.gz RAERQTJTDNYBEQ-IQHLECGASA-N 1 1 576.785 7.663 1 0 KKAFMO CC(C)(C[NH2+]Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049627022 562667444 /nfs/dbraw/zinc/66/74/44/562667444.db2.gz LKHVUZKMVGQEFB-UHFFFAOYSA-N 1 1 609.052 7.353 1 0 KKAFMO CC[N@@H+](CCO)CCc1cccc(Nc2nccc(-c3c4ccccn4nc3-c3ccc(NC(=O)C(C)(C)C)cc3)n2)c1 ZINC000049639245 562667710 /nfs/dbraw/zinc/66/77/10/562667710.db2.gz OCVYBLCOGVCSKI-UHFFFAOYSA-N 1 1 577.733 6.043 1 0 KKAFMO Cc1ccc2c(c1)nc(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3cc(Cl)ccn3)CC2)cc1 ZINC000049677747 562668332 /nfs/dbraw/zinc/66/83/32/562668332.db2.gz YYLLNOJXOOZWPA-UHFFFAOYSA-N 1 1 544.103 5.515 1 0 KKAFMO CC[N@@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678886 562668684 /nfs/dbraw/zinc/66/86/84/562668684.db2.gz DTOKKKOVUBTZFT-IDISGSTGSA-N 1 1 520.641 5.007 1 0 KKAFMO CC[N@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049678886 562668685 /nfs/dbraw/zinc/66/86/85/562668685.db2.gz DTOKKKOVUBTZFT-IDISGSTGSA-N 1 1 520.641 5.007 1 0 KKAFMO COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](CC2CC2)CC4)cc1 ZINC000049694419 562669341 /nfs/dbraw/zinc/66/93/41/562669341.db2.gz JOAAHOIEFIBOCR-DFOKCWARSA-N 1 1 536.760 7.379 1 0 KKAFMO COc1cc(CN(Cc2ccc(C[NH+](Cc3ccc(O)c(OC)c3)Cc3ccc(O)c(OC)c3)cc2)Cc2ccc(O)c(OC)c2)ccc1O ZINC000049694532 562669456 /nfs/dbraw/zinc/66/94/56/562669456.db2.gz VXMZXJKHWMYEHI-UHFFFAOYSA-N 1 1 680.798 6.948 1 0 KKAFMO C[C@H]1C[C@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000049695104 562670170 /nfs/dbraw/zinc/67/01/70/562670170.db2.gz PRPPWWOPQVJUNZ-NBGIEHNGSA-N 1 1 621.440 6.800 1 0 KKAFMO CC(C)(CNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049711243 562671998 /nfs/dbraw/zinc/67/19/98/562671998.db2.gz DIPJMJUXVATSDB-UHFFFAOYSA-N 1 1 588.152 5.820 1 0 KKAFMO COc1cccc(OC[C@@H]2CCC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000049722584 562672204 /nfs/dbraw/zinc/67/22/04/562672204.db2.gz QTAKTQLXWVARJB-HSZRJFAPSA-N 1 1 550.099 5.902 1 0 KKAFMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c2ccccc2c(=O)nc1CCc1cccc(F)c1F ZINC000049722593 562672215 /nfs/dbraw/zinc/67/22/15/562672215.db2.gz JLOWWZLDDROYCZ-HKBQPEDESA-N 1 1 688.741 7.659 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722635 562672330 /nfs/dbraw/zinc/67/23/30/562672330.db2.gz RXEVELWDBBDFGK-XMZCSZCVSA-N 1 1 606.538 6.002 1 0 KKAFMO COc1cc(OC[C@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 ZINC000049722906 562672718 /nfs/dbraw/zinc/67/27/18/562672718.db2.gz QGWMDCQQTSZJSY-IBGZPJMESA-N 1 1 575.135 5.033 1 0 KKAFMO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccc(OCc4cccc(F)c4)cc3)cc12 ZINC000049723053 562672846 /nfs/dbraw/zinc/67/28/46/562672846.db2.gz PGQPOXOROWCYIE-LJAQVGFWSA-N 1 1 558.657 7.267 1 0 KKAFMO Cc1ccc(C[NH+]2CCN(c3cc4c(cc3Cl)CCN4C(=O)Cc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)CC2)cc1 ZINC000049723225 562673095 /nfs/dbraw/zinc/67/30/95/562673095.db2.gz JZFOIPHEYMUXBV-UHFFFAOYSA-N 1 1 647.141 7.374 1 0 KKAFMO O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049723306 562673212 /nfs/dbraw/zinc/67/32/12/562673212.db2.gz ZODMUAAVGKXMFB-HMIRPBQQSA-N 1 1 698.820 6.210 1 0 KKAFMO Cc1cc(-c2cccc3c(NC(=O)N4CCc5cc6nccc(N7CC[N@H+]8CCC[C@H]8C7)c6cc54)cccc23)cc(C)n1 ZINC000049723312 562673226 /nfs/dbraw/zinc/67/32/26/562673226.db2.gz GEOVAMUXTPKIOO-MHZLTWQESA-N 1 1 568.725 6.946 1 0 KKAFMO Cc1ccc([C@@H]2[C@H](c3cccc4ccccc43)[C@@]3(CCC[N@H+]([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000049745048 562673631 /nfs/dbraw/zinc/67/36/31/562673631.db2.gz RUGMTSJCEJZCGZ-RWDBSFSPSA-N 1 1 538.735 9.021 1 0 KKAFMO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745246 562673786 /nfs/dbraw/zinc/67/37/86/562673786.db2.gz GUNSFAQQGCFKPF-NNWRFLSQSA-N 1 1 539.454 5.558 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000049746240 562674322 /nfs/dbraw/zinc/67/43/22/562674322.db2.gz CLYCJZBXTYXKNX-WEVVVXLNSA-N 1 1 558.337 6.450 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5cc(Cl)ccc5s4)cc3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049756459 562675036 /nfs/dbraw/zinc/67/50/36/562675036.db2.gz WCRYRBRNFCXTTR-UHFFFAOYSA-N 1 1 575.138 6.328 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3cc(Cl)ccc3s2)cc1 ZINC000049757397 562675974 /nfs/dbraw/zinc/67/59/74/562675974.db2.gz NACVPONJWZPHAP-UHFFFAOYSA-N 1 1 575.138 6.328 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CC2)nn1 ZINC000049757390 562675995 /nfs/dbraw/zinc/67/59/95/562675995.db2.gz AEXBDBARJCAQDQ-HLADLETHSA-N 1 1 569.603 6.177 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3C)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049762080 562676318 /nfs/dbraw/zinc/67/63/18/562676318.db2.gz DXQXEQLCDPJFHI-UHFFFAOYSA-N 1 1 554.720 5.983 1 0 KKAFMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 ZINC000049767191 562677397 /nfs/dbraw/zinc/67/73/97/562677397.db2.gz NOBRZARFPUZXNK-HXUWFJFHSA-N 1 1 558.901 5.353 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049767566 562677619 /nfs/dbraw/zinc/67/76/19/562677619.db2.gz CYXVEZJWVJIFPJ-UHFFFAOYSA-N 1 1 556.692 5.381 1 0 KKAFMO CC[N@@H+](C[C@H](COCc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](COCc1ccccc1)NC(=O)OCc1nccs1 ZINC000049771145 562678036 /nfs/dbraw/zinc/67/80/36/562678036.db2.gz CZQXPDBVKLWLQZ-IZLXSDGUSA-N 1 1 653.827 5.245 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCC(CN5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775750 562679246 /nfs/dbraw/zinc/67/92/46/562679246.db2.gz KPWDQHNHIVGGNN-YTTGMZPUSA-N 1 1 630.899 5.804 1 0 KKAFMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5c(c([C@@H]6C[C@@]7(CC)CCCN8CCc9c%10ccccc%10n6c9[C@H]87)ccc5O)N[C@@H]4CC1)[C@H]32 ZINC000049777486 562680089 /nfs/dbraw/zinc/68/00/89/562680089.db2.gz HHCOPHVLECRPRE-UQYJQATHSA-N 1 1 576.829 7.520 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780766 562682225 /nfs/dbraw/zinc/68/22/25/562682225.db2.gz DNIQTSLHXSQKBK-DIPNUNPCSA-N 1 1 641.894 6.344 1 0 KKAFMO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[N@H+]4C)cc2C)ccc1F ZINC000049781226 562682800 /nfs/dbraw/zinc/68/28/00/562682800.db2.gz WVGILCCRPFXQQT-ZEQRLZLVSA-N 1 1 520.612 5.474 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3ccccc3)C[C@@H]2C1 ZINC000049783783 562683220 /nfs/dbraw/zinc/68/32/20/562683220.db2.gz KIQJBZWNZGNCLV-VJGNERBWSA-N 1 1 523.668 5.380 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)C[N@@H+](Cc1cccnc1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793697 562685091 /nfs/dbraw/zinc/68/50/91/562685091.db2.gz GYWHTWFXMMRVDZ-KYJUHHDHSA-N 1 1 656.834 5.872 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)C[N@H+](Cc1cccnc1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793697 562685092 /nfs/dbraw/zinc/68/50/92/562685092.db2.gz GYWHTWFXMMRVDZ-KYJUHHDHSA-N 1 1 656.834 5.872 1 0 KKAFMO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CN(c2ccccc2)CCC1=O ZINC000049802477 562685708 /nfs/dbraw/zinc/68/57/08/562685708.db2.gz IRLLVXSDXRTXJW-XXFSJYBBSA-N 1 1 534.059 6.082 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[N@H+]5CCCC[C@H]5C)c(OC)cc43)ccc2s1 ZINC000049803169 562686083 /nfs/dbraw/zinc/68/60/83/562686083.db2.gz GZZGWFBVDBGCQH-LJQANCHMSA-N 1 1 534.682 6.417 1 0 KKAFMO O=C(CN1CCCC1)Nc1cc(NC(=O)Nc2cc(NC(=O)C[NH+]3CCCC3)cc(C(=O)Nc3ccccc3)c2)cc(C(=O)Nc2ccccc2)c1 ZINC000049833473 562687819 /nfs/dbraw/zinc/68/78/19/562687819.db2.gz ZYXOVFWREPRABN-UHFFFAOYSA-N 1 1 702.816 5.904 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049841230 562688155 /nfs/dbraw/zinc/68/81/55/562688155.db2.gz BKKPSZFMFYYZLZ-KAODMTDESA-N 1 1 644.212 5.872 1 0 KKAFMO CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049841418 562688349 /nfs/dbraw/zinc/68/83/49/562688349.db2.gz YFWVAYGDSFKIJW-UHFFFAOYSA-N 1 1 650.791 5.587 1 0 KKAFMO CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049841418 562688350 /nfs/dbraw/zinc/68/83/50/562688350.db2.gz YFWVAYGDSFKIJW-UHFFFAOYSA-N 1 1 650.791 5.587 1 0 KKAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(Cl)c(Cl)c2)CC1 ZINC000049872158 562689773 /nfs/dbraw/zinc/68/97/73/562689773.db2.gz XYXRWYLFPYNKLK-FQEVSTJZSA-N 1 1 575.562 5.240 1 0 KKAFMO O=C(c1ccccc1)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049877482 562690173 /nfs/dbraw/zinc/69/01/73/562690173.db2.gz VWQMAZITMKGPDG-UHFFFAOYSA-N 1 1 641.816 5.717 1 0 KKAFMO CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)CNC(=O)c2cccnc2Sc2ccc(C(C)C)cc2)CC1 ZINC000049878249 562690511 /nfs/dbraw/zinc/69/05/11/562690511.db2.gz WVLWELNDFLMMMS-VWLOTQADSA-N 1 1 548.753 5.056 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 ZINC000049889057 562691737 /nfs/dbraw/zinc/69/17/37/562691737.db2.gz PIYAMSIJZQDTMB-AIUHUKMKSA-N 1 1 714.873 5.972 1 0 KKAFMO COC(=O)Cc1c[nH]c2ccc(OCCC[N@H+](Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc12 ZINC000049889460 562692138 /nfs/dbraw/zinc/69/21/38/562692138.db2.gz QCPMSPLCIPCOOQ-UHFFFAOYSA-N 1 1 635.126 8.659 1 0 KKAFMO O=C(Nc1ccc2[nH]cc(C3CCN(CCC[NH+]4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc65)CC4)CC3)c2c1)c1ccc(F)cc1 ZINC000049898140 562692271 /nfs/dbraw/zinc/69/22/71/562692271.db2.gz PZZMVKASPNMPKJ-UHFFFAOYSA-N 1 1 714.861 8.881 1 0 in-vitro KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049898253 562692382 /nfs/dbraw/zinc/69/23/82/562692382.db2.gz MYAYZDYFUQVQJV-KAODMTDESA-N 1 1 644.212 5.872 1 0 KKAFMO CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000049899533 562693221 /nfs/dbraw/zinc/69/32/21/562693221.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 1 1 666.815 7.561 1 0 KKAFMO CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000049899533 562693222 /nfs/dbraw/zinc/69/32/22/562693222.db2.gz WSCNWFXSGNQRKX-CONSDPRKSA-N 1 1 666.815 7.561 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000049917723 562693768 /nfs/dbraw/zinc/69/37/68/562693768.db2.gz AXWSLXQQWLRFQH-SSVWKNEZSA-N 1 1 540.894 6.436 1 0 KKAFMO C[NH+]1CCN([C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccc(Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000049917728 562693777 /nfs/dbraw/zinc/69/37/77/562693777.db2.gz DZLOXIXCKFZSFM-RUZDIDTESA-N 1 1 551.440 6.361 1 0 KKAFMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)cc1 ZINC000049917745 562693866 /nfs/dbraw/zinc/69/38/66/562693866.db2.gz SKZZXDBQDRCXJM-UHFFFAOYSA-N 1 1 541.620 6.671 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917908 562694135 /nfs/dbraw/zinc/69/41/35/562694135.db2.gz LROQIJZEUPRJEP-JVNGFTGRSA-N 1 1 557.444 6.208 1 0 KKAFMO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000049917905 562694143 /nfs/dbraw/zinc/69/41/43/562694143.db2.gz GUIMLYMLFIYPKB-KPKJPENVSA-N 1 1 605.023 6.917 1 0 KKAFMO CC[NH+](CC)c1ccc(Nc2cc(N(Cc3ccccc3)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053173642 562696294 /nfs/dbraw/zinc/69/62/94/562696294.db2.gz XIJMYDQJJGTJAI-UHFFFAOYSA-N 1 1 501.034 6.959 1 0 KKAFMO COc1cc2ccnc3c2c(c1O)Oc1cc2c(cc1OC)CC[N@H+](C)[C@@H]2Cc1ccc(O)c(c1)Oc1ccc(cc1)C3 ZINC000053230921 562696670 /nfs/dbraw/zinc/69/66/70/562696670.db2.gz PWVLBPQSZKHZHU-HHHXNRCGSA-N 1 1 576.649 6.924 1 0 KKAFMO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1nc(-c3ccccc3)oc1C)CC2 ZINC000053246970 562696917 /nfs/dbraw/zinc/69/69/17/562696917.db2.gz QKBRYPYIOKWOEV-VWLOTQADSA-N 1 1 506.691 5.082 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@H](O)C2)CC1 ZINC000058487762 562698219 /nfs/dbraw/zinc/69/82/19/562698219.db2.gz FTLGKSKBYORBFI-AZGJVMLZSA-N 1 1 512.481 5.577 1 0 KKAFMO C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CC[NH+](C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058594410 562700689 /nfs/dbraw/zinc/70/06/89/562700689.db2.gz NXOJBDCDDRAJDO-HXUWFJFHSA-N 1 1 590.153 5.090 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000058602198 562700833 /nfs/dbraw/zinc/70/08/33/562700833.db2.gz BNBSDZRWCCHBOZ-DZMJNENTSA-N 1 1 661.844 5.122 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000058602198 562700834 /nfs/dbraw/zinc/70/08/34/562700834.db2.gz BNBSDZRWCCHBOZ-DZMJNENTSA-N 1 1 661.844 5.122 1 0 KKAFMO COc1cc(OC)c([C@H](CC[N@H+]2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000059744869 562702223 /nfs/dbraw/zinc/70/22/23/562702223.db2.gz DIIOKAPUKRNPAJ-WNCULLNHSA-N 1 1 540.704 6.797 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796295 562702308 /nfs/dbraw/zinc/70/23/08/562702308.db2.gz LSIDHJBKTOAZTN-OETVIHDQSA-N 1 1 568.639 7.576 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)CCCc1ccccc1 ZINC000061906203 562703019 /nfs/dbraw/zinc/70/30/19/562703019.db2.gz PDBDCPLEAHEFHF-UHFFFAOYSA-N 1 1 518.661 6.894 3 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Br)c1 ZINC000064436812 562705242 /nfs/dbraw/zinc/70/52/42/562705242.db2.gz RTBIPFUMKDXETP-SFTDATJTSA-N 1 1 577.490 5.657 1 0 KKAFMO O[C@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548771 562707912 /nfs/dbraw/zinc/70/79/12/562707912.db2.gz WOARFNLDHSQISN-NDEPHWFRSA-N 1 1 550.728 6.269 1 0 KKAFMO COc1ccc([C@@H]2[C@H](c3ccccc3)[NH2+][C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549689 562708089 /nfs/dbraw/zinc/70/80/89/562708089.db2.gz REEWJWLYSHFTIW-KZKDOPAFSA-N 1 1 611.094 6.076 1 0 KKAFMO CC(C)N1CCC([NH+]2CCC(n3nc(-c4ccc(Nc5nc6cccc(Cl)c6o5)cc4)c4c3ncnc4N)CC2)CC1 ZINC000064549535 562708107 /nfs/dbraw/zinc/70/81/07/562708107.db2.gz HKJUUPKKOAGVDB-UHFFFAOYSA-N 1 1 586.144 6.123 1 0 KKAFMO CC(C)(C)c1ccc(C2(CCC[N@H+]3CCc4cc(OCc5ccccc5)ccc4[C@@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550069 562708202 /nfs/dbraw/zinc/70/82/02/562708202.db2.gz ZLRSPZURKJYEMQ-XIFFEERXSA-N 1 1 557.775 7.161 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCN(CCCN2CCN(c4ccccc4OC)CC2)S(C)(=O)=O)c1-3 ZINC000066077234 562710282 /nfs/dbraw/zinc/71/02/82/562710282.db2.gz JRVSGBSKZMZOOC-MGBGTMOVSA-N 1 1 646.898 5.470 1 0 KKAFMO Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)cc1 ZINC000066111668 562711842 /nfs/dbraw/zinc/71/18/42/562711842.db2.gz QXISZOUDNRLEKT-UHFFFAOYSA-N 1 1 596.139 6.747 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000066139110 562713444 /nfs/dbraw/zinc/71/34/44/562713444.db2.gz WYNCONGFJQZCFS-KCYKTTMJSA-N 1 1 590.470 5.627 3 0 KKAFMO O=C(CC[NH+]1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)[nH]c32)c2sc3ccccc3c21 ZINC000066259382 562715249 /nfs/dbraw/zinc/71/52/49/562715249.db2.gz MXLMKKWWVSCATO-UHFFFAOYSA-N 1 1 568.699 5.060 1 0 KKAFMO O=c1[nH]c(-c2ccc(F)cc2)c(CC[NH+]2CCN(c3cc(Br)cc(Br)c3)CC2)o1 ZINC000084495815 562743245 /nfs/dbraw/zinc/74/32/45/562743245.db2.gz IQLYPAORURWIIH-UHFFFAOYSA-N 1 1 525.216 5.076 1 0 KKAFMO CC[NH+](CC)CCOc1ccc(Nc2nccc(-c3nc(-c4c(Cl)cc(CO)cc4Cl)[nH]c3-c3cccc(Cl)c3)n2)cc1 ZINC000068014416 562715725 /nfs/dbraw/zinc/71/57/25/562715725.db2.gz GXQYYVSMHUOPGZ-UHFFFAOYSA-N 1 1 637.999 8.117 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(F)c3)CC2)ccc1O ZINC000068106044 562715751 /nfs/dbraw/zinc/71/57/51/562715751.db2.gz UKIZSSAMRMJVHP-DHUJRADRSA-N 1 1 700.874 6.342 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC(F)(F)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000068243679 562716033 /nfs/dbraw/zinc/71/60/33/562716033.db2.gz BSKLQZWXCYJXNJ-REUBFRLUSA-N 1 1 662.212 7.292 1 0 KKAFMO O=C(O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5)N(c1ccccc1)c1ccccc1 ZINC000070631611 562716482 /nfs/dbraw/zinc/71/64/82/562716482.db2.gz HCWOLAWHRUPDEU-KILMMMHPSA-N 1 1 538.644 5.300 1 0 KKAFMO CCOc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071296032 562717388 /nfs/dbraw/zinc/71/73/88/562717388.db2.gz FMKILCPRKFXDED-BETPUDKTSA-N 1 1 562.758 6.867 1 0 KKAFMO COc1ccc(CC[N@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000071296504 562717573 /nfs/dbraw/zinc/71/75/73/562717573.db2.gz LCKMFSRIRZPXAK-WIOPSUGQSA-N 1 1 513.465 5.699 1 0 KKAFMO O=C(CN1CCN(c2cc[nH+]c(NCCc3ccc(Cl)cc3)n2)CC1)N(Cc1ccncc1)Cc1c(Cl)cncc1Cl ZINC000071315917 562717763 /nfs/dbraw/zinc/71/77/63/562717763.db2.gz SIDDLPPKYXYJJX-UHFFFAOYSA-N 1 1 625.992 5.232 1 0 KKAFMO COc1cccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)c1 ZINC000071329162 562718835 /nfs/dbraw/zinc/71/88/35/562718835.db2.gz ZKVNMGGIYYBIAO-JYFHCDHNSA-N 1 1 509.046 5.054 1 0 KKAFMO CC(C)c1ccc(C=C2C[N@@H+](Cc3ccccc3)CC3C2=NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000071334367 562719572 /nfs/dbraw/zinc/71/95/72/562719572.db2.gz OHNIUIOFVVGQRR-MRWVFDTMSA-N 1 1 507.747 7.306 1 0 KKAFMO C[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111427 562721923 /nfs/dbraw/zinc/72/19/23/562721923.db2.gz IFUMWLOPXCEQDI-ZQGWNMLXSA-N 1 1 642.769 7.962 1 0 KKAFMO C[C@@H]1CN(C(=O)C2CCCCC2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072112446 562722081 /nfs/dbraw/zinc/72/20/81/562722081.db2.gz GREPRJJCDHWUCR-CHWPHWHQSA-N 1 1 526.806 5.831 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCOCC2)c(OC(C)C)c1 ZINC000072113438 562722384 /nfs/dbraw/zinc/72/23/84/562722384.db2.gz ALKDDWSRPFXJJZ-IOWSJCHKSA-N 1 1 596.555 6.583 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072119930 562723885 /nfs/dbraw/zinc/72/38/85/562723885.db2.gz INQGVWVTBPOLPM-KWRMZWAXSA-N 1 1 662.026 6.467 3 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccccc4)n3)CC2)cc1 ZINC000072119925 562723938 /nfs/dbraw/zinc/72/39/38/562723938.db2.gz HPPIMWYSQVFHBZ-UHFFFAOYSA-N 1 1 574.691 7.133 1 0 KKAFMO CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000072120336 562724021 /nfs/dbraw/zinc/72/40/21/562724021.db2.gz NKJVEESZKXXZFT-DTTPJGKXSA-N 1 1 650.783 6.163 3 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccc5ccccc5n4)n3)CC2)cc1 ZINC000072121464 562724293 /nfs/dbraw/zinc/72/42/93/562724293.db2.gz YERBMYULJHLCJP-UHFFFAOYSA-N 1 1 625.739 7.681 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)c4ccccc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072122720 562724643 /nfs/dbraw/zinc/72/46/43/562724643.db2.gz RRRJJHOCKYLCQN-ITEXHPTBSA-N 1 1 631.814 5.875 3 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123719 562724858 /nfs/dbraw/zinc/72/48/58/562724858.db2.gz SVTATNUUFRMUDH-OFKCIZEBSA-N 1 1 659.728 7.501 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3F)cc2)cc1 ZINC000072123718 562724901 /nfs/dbraw/zinc/72/49/01/562724901.db2.gz SVTATNUUFRMUDH-FSGZAOGXSA-N 1 1 659.728 7.501 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127047 562725639 /nfs/dbraw/zinc/72/56/39/562725639.db2.gz GMAGJOWBPJKTNU-WNQXLSPZSA-N 1 1 678.025 6.172 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128620 562726087 /nfs/dbraw/zinc/72/60/87/562726087.db2.gz LAZZTJJMWPLAFV-BBACVFHCSA-N 1 1 692.052 6.562 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128744 562726282 /nfs/dbraw/zinc/72/62/82/562726282.db2.gz KNCJAHMCOMXAGP-ULJKERAFSA-N 1 1 680.702 6.731 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(C(C)C)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072128745 562726292 /nfs/dbraw/zinc/72/62/92/562726292.db2.gz YEIOSWIOUHGOGK-BCFRNYDHSA-N 1 1 688.338 7.201 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000072128775 562726323 /nfs/dbraw/zinc/72/63/23/562726323.db2.gz VYZQOIFECDLGPS-FITHBNAOSA-N 1 1 647.792 5.703 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(Cl)ccc(S(N)(=O)=O)c2Cl)CC1 ZINC000072128777 562726359 /nfs/dbraw/zinc/72/63/59/562726359.db2.gz IARIPQCAAVOTIF-ZVBBVAIHSA-N 1 1 698.692 6.870 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)c(F)cc2Cl)CC1 ZINC000072131638 562726691 /nfs/dbraw/zinc/72/66/91/562726691.db2.gz IOVHYBNUUALRFV-BWMKXQIXSA-N 1 1 724.318 7.395 1 0 KKAFMO CC(C)[NH+](CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c([N-]S(C)(=O)=O)c3)cc2)ccc1O)C(C)C ZINC000072131701 562726773 /nfs/dbraw/zinc/72/67/73/562726773.db2.gz AFTLTCTXIJHBOV-RZLWBAEQSA-N 1 1 732.000 7.378 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000072137711 562728385 /nfs/dbraw/zinc/72/83/85/562728385.db2.gz ORCUQVZUTYUDHO-OWOAZTCBSA-N 1 1 585.532 5.990 1 0 KKAFMO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCC[NH+]3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072137923 562728480 /nfs/dbraw/zinc/72/84/80/562728480.db2.gz RFTCBNQSCRPSMN-OERZRXGMSA-N 1 1 630.811 5.315 3 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCC[NH+]3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072137924 562728502 /nfs/dbraw/zinc/72/85/02/562728502.db2.gz RFTCBNQSCRPSMN-DPJMWLGRSA-N 1 1 630.811 5.315 3 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000072138255 562728702 /nfs/dbraw/zinc/72/87/02/562728702.db2.gz WFUNTFJZTRFJFT-KWRMZWAXSA-N 1 1 662.026 6.467 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072141617 562729436 /nfs/dbraw/zinc/72/94/36/562729436.db2.gz YONZQCMXPIWVTN-SPWOZAQASA-N 1 1 726.069 6.759 3 0 KKAFMO Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072142262 562729490 /nfs/dbraw/zinc/72/94/90/562729490.db2.gz DSLXXXJCMRSMHC-JZVRGSIDSA-N 1 1 515.665 5.248 3 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CC[N@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171081 562730480 /nfs/dbraw/zinc/73/04/80/562730480.db2.gz JGUWRDGVCUGGGI-XMMPIXPASA-N 1 1 556.615 5.296 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCC[N@@H+](C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172005 562730572 /nfs/dbraw/zinc/73/05/72/562730572.db2.gz QQLMRUWZPSJDOW-QHCPKHFHSA-N 1 1 544.604 5.211 1 0 KKAFMO O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072172153 562730652 /nfs/dbraw/zinc/73/06/52/562730652.db2.gz PJFOJQRFCJSASI-ZKBJDZFASA-N 1 1 630.593 5.076 1 0 KKAFMO O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173507 562730982 /nfs/dbraw/zinc/73/09/82/562730982.db2.gz BRSFCQHDQJZLBM-UZGAGFRRSA-N 1 1 647.048 5.590 1 0 KKAFMO CC(C)c1nc(-c2cccc(NC(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Nc3ccc4c(c3)C[N@H+](C)CC4)n2)s1 ZINC000072176233 562731555 /nfs/dbraw/zinc/73/15/55/562731555.db2.gz JMTLTJSFIRBAFK-UHFFFAOYSA-N 1 1 596.707 7.653 1 0 KKAFMO COc1cc2c(cc1OCCCC[NH+]1CCN(CCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317212 562733172 /nfs/dbraw/zinc/73/31/72/562733172.db2.gz TZKVMGYQIISFFQ-MHZLTWQESA-N 1 1 593.772 5.991 1 0 KKAFMO COc1cc(CNCCC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 ZINC000073198372 562735695 /nfs/dbraw/zinc/73/56/95/562735695.db2.gz RMFAOUFPBXLEQO-UHFFFAOYSA-N 1 1 526.677 6.131 1 0 KKAFMO O=C(/C=C/c1cccc(Br)c1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000073351256 562738242 /nfs/dbraw/zinc/73/82/42/562738242.db2.gz UECMEPUFLLRJCE-CCEZHUSRSA-N 1 1 505.456 5.413 1 0 KKAFMO Cc1cc(Cl)c(OCCOc2ccc(N3C(=O)CNC[C@@H]3C(=O)N(Cc3cc(CC[NH2+]CC(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000082140555 562739490 /nfs/dbraw/zinc/73/94/90/562739490.db2.gz HPJMPIDAOUPQKP-MUUNZHRXSA-N 1 1 711.037 5.701 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082150986 562739862 /nfs/dbraw/zinc/73/98/62/562739862.db2.gz KRTZTABXRLIXPM-WOJBJXKFSA-N 1 1 547.479 5.621 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164707 562741210 /nfs/dbraw/zinc/74/12/10/562741210.db2.gz SZDNRBMQYZRUIM-QIKUIUABSA-N 1 1 691.862 5.110 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165090 562741362 /nfs/dbraw/zinc/74/13/62/562741362.db2.gz QXSAFGQAHODVKD-AFPLUKJUSA-N 1 1 726.307 5.764 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170264 562741479 /nfs/dbraw/zinc/74/14/79/562741479.db2.gz QGOMFWNTZLMDCP-FHPVIJFVSA-N 1 1 721.888 5.119 1 0 KKAFMO CC[NH+]1CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)c2Cn2cncn2)CC1 ZINC000084405622 562742983 /nfs/dbraw/zinc/74/29/83/562742983.db2.gz WMNAMKNVBFHJCZ-UHFFFAOYSA-N 1 1 589.325 5.026 1 0 KKAFMO CCC(CC)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(CNC(=O)Cc3ccccc3)CCCCC2)CC1 ZINC000084611191 562744392 /nfs/dbraw/zinc/74/43/92/562744392.db2.gz SPTBAJCBSVWTGK-SSEXGKCCSA-N 1 1 595.228 5.010 1 0 KKAFMO COc1ccc(C(=O)N(CC[C@@H]2CCC[N@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc1OC ZINC000084616110 562744557 /nfs/dbraw/zinc/74/45/57/562744557.db2.gz OEXJNJYSGHNLML-SJQUQUAPSA-N 1 1 508.556 5.892 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@H]3C[N@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000084616229 562744564 /nfs/dbraw/zinc/74/45/64/562744564.db2.gz UGZLOXSYSUEOAM-RPBOFIJWSA-N 1 1 556.101 6.036 1 0 KKAFMO Cc1c(NCC[NH+]2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(c2[nH+]cnc3[n-]nc(Br)c32)CC1 ZINC000084616380 562744616 /nfs/dbraw/zinc/74/46/16/562744616.db2.gz BZWINHLDUBAFJC-UHFFFAOYSA-N 1 1 569.596 5.237 1 0 KKAFMO CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC(c3ccnn3-c3ccc(F)c(Cl)c3)CC2)C1 ZINC000084617871 562745010 /nfs/dbraw/zinc/74/50/10/562745010.db2.gz LNIHDGIRNYROME-XZOQPEGZSA-N 1 1 545.049 6.163 1 0 KKAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084619871 562745349 /nfs/dbraw/zinc/74/53/49/562745349.db2.gz QDDFYHFHWWVLRP-UHFFFAOYSA-N 1 1 664.899 5.014 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCC[C@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084620087 562745425 /nfs/dbraw/zinc/74/54/25/562745425.db2.gz TUCSCEDFAQXZCW-IBGZPJMESA-N 1 1 518.061 6.771 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(F)c2)n1 ZINC000084634584 562745933 /nfs/dbraw/zinc/74/59/33/562745933.db2.gz BLHIUOFSVQAHDS-BJKOFHAPSA-N 1 1 559.076 6.472 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652403 562746541 /nfs/dbraw/zinc/74/65/41/562746541.db2.gz BVBOTXZHHHFXGV-GKPJMAKXSA-N 1 1 592.743 8.209 1 0 KKAFMO Cc1c(=O)c2ccccc2[nH]c1-c1ccc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)nc1 ZINC000084652923 562746717 /nfs/dbraw/zinc/74/67/17/562746717.db2.gz MCSHPXHAHJKKOH-UHFFFAOYSA-N 1 1 508.544 5.115 1 0 KKAFMO C[N@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 ZINC000084654380 562747254 /nfs/dbraw/zinc/74/72/54/562747254.db2.gz SBQAIYUBGADZLI-UHFFFAOYSA-N 1 1 565.711 5.065 1 0 KKAFMO C[N@@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1 ZINC000084654380 562747255 /nfs/dbraw/zinc/74/72/55/562747255.db2.gz SBQAIYUBGADZLI-UHFFFAOYSA-N 1 1 565.711 5.065 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000084669643 562748040 /nfs/dbraw/zinc/74/80/40/562748040.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 1 1 594.708 6.556 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000084669643 562748041 /nfs/dbraw/zinc/74/80/41/562748041.db2.gz IPBXECOCQVJHFL-VSGBNLITSA-N 1 1 594.708 6.556 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724587 562751189 /nfs/dbraw/zinc/75/11/89/562751189.db2.gz XBDWPAQEXHGNLA-ZBXVTLTLSA-N 1 1 633.579 8.899 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724587 562751190 /nfs/dbraw/zinc/75/11/90/562751190.db2.gz XBDWPAQEXHGNLA-ZBXVTLTLSA-N 1 1 633.579 8.899 1 0 KKAFMO O=C(NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000095540083 562755511 /nfs/dbraw/zinc/75/55/11/562755511.db2.gz BHZYDNYEQNZRJY-FPGXKDDPSA-N 1 1 746.997 5.365 1 0 KKAFMO O=C([O-])[C@@H](CC1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000095543547 562757315 /nfs/dbraw/zinc/75/73/15/562757315.db2.gz DDFIOPXESZZFRO-AVXDPSIRSA-N 1 1 570.740 7.549 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095555258 562761497 /nfs/dbraw/zinc/76/14/97/562761497.db2.gz CZQBSCBGCPBYOL-UHFFFAOYSA-N 1 1 506.046 6.343 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095557011 562761906 /nfs/dbraw/zinc/76/19/06/562761906.db2.gz ALALCCQLCWZUAN-UHFFFAOYSA-N 1 1 556.053 7.223 1 0 KKAFMO Nc1sc(-c2ccc(F)cc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095557653 562762213 /nfs/dbraw/zinc/76/22/13/562762213.db2.gz NREZORVVJREMET-UHFFFAOYSA-N 1 1 506.046 6.343 1 0 KKAFMO CCCCc1sc(-c2ccc(OC[C@H]3CCC[N@@H+](CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563335 562763950 /nfs/dbraw/zinc/76/39/50/562763950.db2.gz WROFIVGZFHZPEZ-DEOSSOPVSA-N 1 1 561.191 9.376 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095565251 562764577 /nfs/dbraw/zinc/76/45/77/562764577.db2.gz ISYWMCSQLOVTPH-MZXMJASYSA-N 1 1 643.829 5.078 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566443 562765012 /nfs/dbraw/zinc/76/50/12/562765012.db2.gz PSWWDIXZTPANEG-JCGBMYGUSA-N 1 1 647.769 5.771 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566616 562765162 /nfs/dbraw/zinc/76/51/62/562765162.db2.gz FKTABSPDLVGIRZ-LQHOUDLQSA-N 1 1 710.872 7.140 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095566759 562765256 /nfs/dbraw/zinc/76/52/56/562765256.db2.gz TWIGAEAIANFZGS-ASHZAFPQSA-N 1 1 602.629 5.841 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095566999 562765396 /nfs/dbraw/zinc/76/53/96/562765396.db2.gz GEPWAINBAFOOPW-FQWYTPLZSA-N 1 1 613.799 6.279 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567005 562765408 /nfs/dbraw/zinc/76/54/08/562765408.db2.gz DVQUFFYKIBJZKN-HSHANODTSA-N 1 1 656.827 7.432 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095567087 562765467 /nfs/dbraw/zinc/76/54/67/562765467.db2.gz GQWDZONLPIYMSR-SYHDGPRRSA-N 1 1 672.826 7.557 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567444 562765781 /nfs/dbraw/zinc/76/57/81/562765781.db2.gz UIWHTZIAIXNFGN-UXVOWUFOSA-N 1 1 718.880 6.249 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095567803 562766098 /nfs/dbraw/zinc/76/60/98/562766098.db2.gz XGMQKVJTWVADHD-MJZSVGSSSA-N 1 1 714.826 7.286 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000095567846 562766155 /nfs/dbraw/zinc/76/61/55/562766155.db2.gz YABSBZZUJWTBJP-ZYADHFCISA-N 1 1 670.005 6.129 3 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)[C@H]1CCCN1C[NH+]1CCCC1 ZINC000095568039 562766235 /nfs/dbraw/zinc/76/62/35/562766235.db2.gz MXBFJDNMFWRCMV-QBNATXNWSA-N 1 1 641.621 6.105 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568051 562766300 /nfs/dbraw/zinc/76/63/00/562766300.db2.gz LZRMYYQDLQFCEK-BUACAMDTSA-N 1 1 728.809 7.006 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568313 562766509 /nfs/dbraw/zinc/76/65/09/562766509.db2.gz GQPLODGYDYCVNT-PHKGMDLESA-N 1 1 650.625 5.084 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095568873 562766937 /nfs/dbraw/zinc/76/69/37/562766937.db2.gz VFUMNYRTPAPJFI-MZXMJASYSA-N 1 1 627.807 5.815 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095568873 562766938 /nfs/dbraw/zinc/76/69/38/562766938.db2.gz VFUMNYRTPAPJFI-MZXMJASYSA-N 1 1 627.807 5.815 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569241 562767306 /nfs/dbraw/zinc/76/73/06/562767306.db2.gz BZQGFEPSUFQXHE-RDXDNIQESA-N 1 1 648.225 6.160 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095569743 562767630 /nfs/dbraw/zinc/76/76/30/562767630.db2.gz NGQWRAJVXVPGQM-KECSPFHLSA-N 1 1 668.770 5.656 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095570017 562767871 /nfs/dbraw/zinc/76/78/71/562767871.db2.gz FGZYRMRERWZGKV-BALWLHIASA-N 1 1 614.665 5.710 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570116 562767889 /nfs/dbraw/zinc/76/78/89/562767889.db2.gz QLJXCVWJUUTTMH-JVAKCPTJSA-N 1 1 606.572 5.146 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570193 562768040 /nfs/dbraw/zinc/76/80/40/562768040.db2.gz UIWHTZIAIXNFGN-AZAGJHQNSA-N 1 1 718.880 6.249 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570348 562768108 /nfs/dbraw/zinc/76/81/08/562768108.db2.gz OFYJPRSBIVOGOZ-LRZFZUCMSA-N 1 1 666.663 6.649 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570793 562768499 /nfs/dbraw/zinc/76/84/99/562768499.db2.gz ILRCCMQCDZZMAZ-DFRLRCAJSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570917 562768604 /nfs/dbraw/zinc/76/86/04/562768604.db2.gz DTGXRBNGNVLSQA-UJGIGBKRSA-N 1 1 672.911 7.791 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095571359 562768985 /nfs/dbraw/zinc/76/89/85/562768985.db2.gz VEYXNSARLJIJRR-DOKVQHETSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571379 562769023 /nfs/dbraw/zinc/76/90/23/562769023.db2.gz LZRMYYQDLQFCEK-WBSRRFCYSA-N 1 1 728.809 7.006 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095571494 562769043 /nfs/dbraw/zinc/76/90/43/562769043.db2.gz GVXBSEWFCYEYHS-WOEJUUGOSA-N 1 1 786.008 6.558 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2C1=O ZINC000095571426 562769048 /nfs/dbraw/zinc/76/90/48/562769048.db2.gz LMBSBKQGYSXUIA-IBDOFWSNSA-N 1 1 798.853 8.031 1 0 KKAFMO CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CN(c4ccncc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095572686 562769480 /nfs/dbraw/zinc/76/94/80/562769480.db2.gz JBBICBSNEXRPNM-RBISFHTESA-N 1 1 524.662 5.003 1 0 KKAFMO CC(C)[N@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095573890 562769796 /nfs/dbraw/zinc/76/97/96/562769796.db2.gz YZLHFBDVFXMNTL-PAJWBHGYSA-N 1 1 503.046 5.637 1 0 KKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OCCCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095577452 562770961 /nfs/dbraw/zinc/77/09/61/562770961.db2.gz AQMQWKFSMIRRJA-OGICNVKRSA-N 1 1 565.113 6.684 1 0 KKAFMO CO[C@]12Cc3cc(-c4ccc(Cl)cc4)cnc3[C@@H]3Oc4c5c(ccc4O)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000095579284 562771511 /nfs/dbraw/zinc/77/15/11/562771511.db2.gz XSKVQIBZHKGXKX-QVDUQQMDSA-N 1 1 501.026 5.461 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2[nH+]ccn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000095587610 562774367 /nfs/dbraw/zinc/77/43/67/562774367.db2.gz COSUWWMDWXFEFB-UHFFFAOYSA-N 1 1 590.646 7.142 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095588425 562774639 /nfs/dbraw/zinc/77/46/39/562774639.db2.gz UPZKEWGLPMGEIV-PPMCTTEPSA-N 1 1 507.715 5.338 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095589883 562775109 /nfs/dbraw/zinc/77/51/09/562775109.db2.gz YYGPGGFPRRXHSI-GIZYTINFSA-N 1 1 521.742 5.728 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095590249 562775213 /nfs/dbraw/zinc/77/52/13/562775213.db2.gz WCOXXRLXLYBGFA-UHFFFAOYSA-N 1 1 602.057 7.627 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)CC[N@@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)C2 ZINC000095590972 562775480 /nfs/dbraw/zinc/77/54/80/562775480.db2.gz CQOXFZXXVWFHCB-UHFFFAOYSA-N 1 1 719.835 6.566 1 0 KKAFMO O=S(=O)(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(Cl)cc2c1 ZINC000095595446 562776702 /nfs/dbraw/zinc/77/67/02/562776702.db2.gz WNGWFFRYQWCYAB-UHFFFAOYSA-N 1 1 527.905 5.076 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095598721 562777497 /nfs/dbraw/zinc/77/74/97/562777497.db2.gz ZKPAWGOFKUDAFA-PIMCHDTMSA-N 1 1 685.788 6.672 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095598785 562777568 /nfs/dbraw/zinc/77/75/68/562777568.db2.gz KVYNYDNSHYPGTF-GHVZQYPWSA-N 1 1 669.785 6.885 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095599390 562778068 /nfs/dbraw/zinc/77/80/68/562778068.db2.gz KTOLAWMRFLMANX-WMVXZGOPSA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599417 562778084 /nfs/dbraw/zinc/77/80/84/562778084.db2.gz ORTMWWQHMCADOR-MEEIBLSFSA-N 1 1 741.178 7.375 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095599478 562778105 /nfs/dbraw/zinc/77/81/05/562778105.db2.gz RZMKFQMJULYPIX-IGHHUVOLSA-N 1 1 657.833 5.444 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599672 562778219 /nfs/dbraw/zinc/77/82/19/562778219.db2.gz UIKXZKCHSBRXDR-BWLKTWDLSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599666 562778247 /nfs/dbraw/zinc/77/82/47/562778247.db2.gz PBKGJIYWLALRHB-KMRPOYNRSA-N 1 1 660.815 6.504 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095599952 562778490 /nfs/dbraw/zinc/77/84/90/562778490.db2.gz KVYNYDNSHYPGTF-WYOWBBOASA-N 1 1 669.785 6.885 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778524 /nfs/dbraw/zinc/77/85/24/562778524.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N 1 1 620.599 5.075 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)O3)cc1 ZINC000095600518 562778953 /nfs/dbraw/zinc/77/89/53/562778953.db2.gz GNVPCHVWJKYRPL-GAIIXZKLSA-N 1 1 647.817 5.662 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600729 562779178 /nfs/dbraw/zinc/77/91/78/562779178.db2.gz UQRVVYXDOOLUAO-MJQNYGCISA-N 1 1 723.830 6.573 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095600968 562779376 /nfs/dbraw/zinc/77/93/76/562779376.db2.gz KTOLAWMRFLMANX-BGNUVLEZSA-N 1 1 683.812 6.814 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601988 562779813 /nfs/dbraw/zinc/77/98/13/562779813.db2.gz QMCFBRPLMVFDBX-GAQVVXLESA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095601941 562779831 /nfs/dbraw/zinc/77/98/31/562779831.db2.gz XJOPVLQFFGEWNL-IQLGONJTSA-N 1 1 597.678 5.168 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@@H+](Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095602420 562780113 /nfs/dbraw/zinc/78/01/13/562780113.db2.gz GFBOARZMZBDAJD-OXYPMYLPSA-N 1 1 573.738 5.286 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603380 562780494 /nfs/dbraw/zinc/78/04/94/562780494.db2.gz ZBBNPLMVFVREHD-PNCWTNKOSA-N 1 1 719.867 6.742 1 0 KKAFMO O=S(=O)(c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cc1)N1CC[NH2+]CC1 ZINC000095603502 562780586 /nfs/dbraw/zinc/78/05/86/562780586.db2.gz ZXFOFNDJRLTMNY-UHFFFAOYSA-N 1 1 604.107 6.006 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095603772 562780623 /nfs/dbraw/zinc/78/06/23/562780623.db2.gz KVYNYDNSHYPGTF-GAIIXZKLSA-N 1 1 669.785 6.885 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095603732 562780634 /nfs/dbraw/zinc/78/06/34/562780634.db2.gz ZBBNPLMVFVREHD-GBJJYOARSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604308 562780903 /nfs/dbraw/zinc/78/09/03/562780903.db2.gz NIQNUTWSSZLHED-GWZRSYOGSA-N 1 1 643.891 5.795 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095605169 562781437 /nfs/dbraw/zinc/78/14/37/562781437.db2.gz LFZLAWVTNRSJHJ-JALBGMRZSA-N 1 1 735.866 6.442 1 0 KKAFMO COc1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1 ZINC000095612085 562785245 /nfs/dbraw/zinc/78/52/45/562785245.db2.gz WFHGBOZGDUEWEJ-ASVWIKLXSA-N 1 1 758.363 8.165 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1 ZINC000095612085 562785246 /nfs/dbraw/zinc/78/52/46/562785246.db2.gz WFHGBOZGDUEWEJ-ASVWIKLXSA-N 1 1 758.363 8.165 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786275 /nfs/dbraw/zinc/78/62/75/562786275.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 1 1 799.032 6.750 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCC[NH+]7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786276 /nfs/dbraw/zinc/78/62/76/562786276.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 1 1 799.032 6.750 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCCN7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786277 /nfs/dbraw/zinc/78/62/77/562786277.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 1 1 799.032 6.750 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCCN7CC[C@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613422 562786278 /nfs/dbraw/zinc/78/62/78/562786278.db2.gz IMHUMQBLODOEBB-CASKGQBKSA-N 1 1 799.032 6.750 1 0 KKAFMO COc1cccc(C[N@@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 ZINC000095665893 562788202 /nfs/dbraw/zinc/78/82/02/562788202.db2.gz DIYZUOHLOSFTTI-BKZGZDJESA-N 1 1 555.719 5.344 1 0 KKAFMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670057 562788240 /nfs/dbraw/zinc/78/82/40/562788240.db2.gz DTCLOSIOZCFUAJ-CUBQBAPOSA-N 1 1 515.572 6.180 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)[N@@H+](CCc2ccccc2)C[C@H]1C ZINC000095680344 562788389 /nfs/dbraw/zinc/78/83/89/562788389.db2.gz TZZLBCBTMQSMPL-BOYVUMAVSA-N 1 1 550.744 5.190 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3cccnc3)cc2C1=O ZINC000095700773 562788559 /nfs/dbraw/zinc/78/85/59/562788559.db2.gz AEAUQEWSZQQTML-OXYPMYLPSA-N 1 1 552.675 5.288 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)O3)cc1 ZINC000095755203 562788870 /nfs/dbraw/zinc/78/88/70/562788870.db2.gz QTHBIZIZCLMCFV-DDFCPOBKSA-N 1 1 566.743 5.000 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095772492 562788931 /nfs/dbraw/zinc/78/89/31/562788931.db2.gz ZNTPGUKYHQEGJK-AWYDNWMNSA-N 1 1 640.756 6.543 1 0 KKAFMO COc1cc(NS(=O)(=O)CCCCS(=O)(=O)Nc2ccc(Nc3cc[nH+]c4ccccc34)c(OC)c2)ccc1Nc1ccnc2ccccc21 ZINC000095831708 562789313 /nfs/dbraw/zinc/78/93/13/562789313.db2.gz KEJXSRKNJXYPIR-UHFFFAOYSA-N 1 1 712.854 7.251 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095850016 562789485 /nfs/dbraw/zinc/78/94/85/562789485.db2.gz SYWCYXHAIYXQLV-NKQBKRSGSA-N 1 1 640.124 5.512 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)c3ccccc3c2=O)cc1F ZINC000096270744 562793357 /nfs/dbraw/zinc/79/33/57/562793357.db2.gz NFGUCNQIGLKFJZ-UHFFFAOYSA-N 1 1 689.744 6.536 1 0 KKAFMO CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)[nH+]cn2c1 ZINC000096284230 562795080 /nfs/dbraw/zinc/79/50/80/562795080.db2.gz VCELWHFCXPYFQZ-QHCPKHFHSA-N 1 1 505.018 7.047 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)C4CC4)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000096300743 562796235 /nfs/dbraw/zinc/79/62/35/562796235.db2.gz VKQPXNUYAHAIKW-UHFFFAOYSA-N 1 1 625.676 5.647 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)C4CC4)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000096300743 562796236 /nfs/dbraw/zinc/79/62/36/562796236.db2.gz VKQPXNUYAHAIKW-UHFFFAOYSA-N 1 1 625.676 5.647 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302069 562796258 /nfs/dbraw/zinc/79/62/58/562796258.db2.gz ZLYNHSASOQYQSU-ABAVYFCKSA-N 1 1 572.769 6.171 1 0 KKAFMO CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318633 562796516 /nfs/dbraw/zinc/79/65/16/562796516.db2.gz RGOFVQWZORFHTD-UHFFFAOYSA-N 1 1 602.628 5.534 1 0 KKAFMO COCCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000096901345 562797084 /nfs/dbraw/zinc/79/70/84/562797084.db2.gz NAEXFKGFHAXVRU-UHFFFAOYSA-N 1 1 524.492 5.870 1 0 KKAFMO 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)N(C)CC4 ZINC000096903121 562797785 /nfs/dbraw/zinc/79/77/85/562797785.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 1 1 780.840 9.392 1 0 KKAFMO 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)N(C)CC4 ZINC000096903121 562797786 /nfs/dbraw/zinc/79/77/86/562797786.db2.gz FXHIKAXRUIPGQY-OIDHKYIRSA-N 1 1 780.840 9.392 1 0 KKAFMO COc1cccc(CN2CCN(C[C@@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907751 562799191 /nfs/dbraw/zinc/79/91/91/562799191.db2.gz JIZBSLOZXTWCDC-QPJRMWCKSA-N 1 1 838.891 8.357 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1 ZINC000096908956 562799457 /nfs/dbraw/zinc/79/94/57/562799457.db2.gz ZTMPHQXTHAWMHG-NRFANRHFSA-N 1 1 631.202 7.849 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096908949 562799484 /nfs/dbraw/zinc/79/94/84/562799484.db2.gz UREPPIQHESDSLK-QHCPKHFHSA-N 1 1 610.784 7.504 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC(c3ccccc3)CC2)cc1OC ZINC000096913925 562800562 /nfs/dbraw/zinc/80/05/62/562800562.db2.gz NSPAPGGUGSNCLT-NDEPHWFRSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC(c3ccccc3)CC2)cc1OC ZINC000096913925 562800563 /nfs/dbraw/zinc/80/05/63/562800563.db2.gz NSPAPGGUGSNCLT-NDEPHWFRSA-N 1 1 544.692 5.269 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923598 562802145 /nfs/dbraw/zinc/80/21/45/562802145.db2.gz HBJAUIGRDDZSRE-SSEXGKCCSA-N 1 1 600.751 5.898 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccc(F)cc32)cc1F ZINC000096927175 562802600 /nfs/dbraw/zinc/80/26/00/562802600.db2.gz CBQVYYAOAXGPTL-UHFFFAOYSA-N 1 1 711.165 8.536 1 0 KKAFMO CCOc1ccc(C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)cc1NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000096928316 562802852 /nfs/dbraw/zinc/80/28/52/562802852.db2.gz IIKPZXNHNNUOAD-UHFFFAOYSA-N 1 1 614.146 5.965 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccn2)cc1F ZINC000096932313 562803335 /nfs/dbraw/zinc/80/33/35/562803335.db2.gz VRTHOLKFVWTXGQ-UHFFFAOYSA-N 1 1 676.667 7.609 1 0 KKAFMO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCN(C)CC6)c(OC)cc54)c(F)c3)c2)cc1 ZINC000096932306 562803350 /nfs/dbraw/zinc/80/33/50/562803350.db2.gz YMJQDVLBCYWGJQ-UHFFFAOYSA-N 1 1 651.739 6.514 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3)n2)cc1F ZINC000096932300 562803354 /nfs/dbraw/zinc/80/33/54/562803354.db2.gz WTIUMEVNJUIDIJ-UHFFFAOYSA-N 1 1 627.648 6.124 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3F)n2)cc1F ZINC000096935351 562804091 /nfs/dbraw/zinc/80/40/91/562804091.db2.gz TUGDKOZAGJNHHL-UHFFFAOYSA-N 1 1 658.681 6.179 1 0 KKAFMO CN1CCN(CCC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938532 562804492 /nfs/dbraw/zinc/80/44/92/562804492.db2.gz RQILENLLHWUIRZ-UHFFFAOYSA-N 1 1 525.541 5.304 1 0 KKAFMO CCOC(=O)Nc1cccc(-c2cc(=O)oc3cc(C)c(-c4ccc(C[NH+]5CCOCC5)cc4)c(C)c32)c1 ZINC000096940135 562804849 /nfs/dbraw/zinc/80/48/49/562804849.db2.gz VNXSFEPARVOVGI-UHFFFAOYSA-N 1 1 512.606 6.144 1 0 KKAFMO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccc(C(=O)CCc4cccc5ccccc54)cc3)CC2)c1C ZINC000096941819 562805112 /nfs/dbraw/zinc/80/51/12/562805112.db2.gz FNQZNTHLCRMHPE-SSEXGKCCSA-N 1 1 522.689 5.834 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 ZINC000100076281 562806589 /nfs/dbraw/zinc/80/65/89/562806589.db2.gz GRXLRILPVAQNOX-PKQPGRETSA-N 1 1 608.709 6.412 1 0 KKAFMO COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H]([N@H+](C)[C@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000100751974 562807337 /nfs/dbraw/zinc/80/73/37/562807337.db2.gz WHEQWKJMWXXWPK-XAIKPXTQSA-N 1 1 641.758 5.907 1 0 KKAFMO C[C@@H]1C[N@H+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696370 562811912 /nfs/dbraw/zinc/81/19/12/562811912.db2.gz IBHCGWDHOSZERH-SZPZYZBQSA-N 1 1 570.711 6.153 1 0 KKAFMO C[N@H+]1CCCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696594 562811934 /nfs/dbraw/zinc/81/19/34/562811934.db2.gz HLKINVGFHAEADS-UHFFFAOYSA-N 1 1 569.727 5.681 1 0 KKAFMO CN1CCC[N@H+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696594 562811935 /nfs/dbraw/zinc/81/19/35/562811935.db2.gz HLKINVGFHAEADS-UHFFFAOYSA-N 1 1 569.727 5.681 1 0 KKAFMO CN1CCC[N@@H+](CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696594 562811936 /nfs/dbraw/zinc/81/19/36/562811936.db2.gz HLKINVGFHAEADS-UHFFFAOYSA-N 1 1 569.727 5.681 1 0 KKAFMO CCOC(=O)N1CCN(CCCCCCC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1 ZINC000102172977 562812834 /nfs/dbraw/zinc/81/28/34/562812834.db2.gz ABBXOBHUMXCOGM-PKQPGRETSA-N 1 1 593.813 5.032 1 0 KKAFMO CCOC(=O)N1CCN(CCCCCCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc4ccccc4n(C(C)C)c2=O)C3)CC1 ZINC000102172977 562812835 /nfs/dbraw/zinc/81/28/35/562812835.db2.gz ABBXOBHUMXCOGM-PKQPGRETSA-N 1 1 593.813 5.032 1 0 KKAFMO O[C@@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CC[N@@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000102207555 562812926 /nfs/dbraw/zinc/81/29/26/562812926.db2.gz FLPJQQDDZSHBDC-MGOZPMTQSA-N 1 1 548.775 6.807 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3SC=CN3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929152 562813537 /nfs/dbraw/zinc/81/35/37/562813537.db2.gz XRLXAIBHEHFVBX-AUEATDLBSA-N 1 1 505.640 5.325 1 0 KKAFMO COc1ccc2ccccc2c1CN1CCOCCOCC[NH+](Cc2c(OC)ccc3ccccc32)CCOCCOCC1 ZINC000102954290 562813698 /nfs/dbraw/zinc/81/36/98/562813698.db2.gz GBWBQAOVOFAEPQ-UHFFFAOYSA-N 1 1 602.772 5.394 1 0 KKAFMO O=C1C[C@H](c2c[nH]c3ccccc32)C(=O)N1CCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc32)CC1 ZINC000103135109 562814426 /nfs/dbraw/zinc/81/44/26/562814426.db2.gz GWTGUGUODHYXIX-JOCHJYFZSA-N 1 1 531.454 5.434 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@@H]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000103218555 562817306 /nfs/dbraw/zinc/81/73/06/562817306.db2.gz JVGYQPLXCUBDBY-IGYGKHONSA-N 1 1 640.821 7.838 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224999 562817656 /nfs/dbraw/zinc/81/76/56/562817656.db2.gz GWHGPTZUEFQPNH-XDZXDJIYSA-N 1 1 521.731 5.030 1 0 KKAFMO NC(=O)[C@]1(c2ccc(Br)cn2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225018 562817690 /nfs/dbraw/zinc/81/76/90/562817690.db2.gz IPZXKSGWFMKWBD-JSCPRHNGSA-N 1 1 545.308 6.290 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225791 562817775 /nfs/dbraw/zinc/81/77/75/562817775.db2.gz IJDZPNGINLWIJW-UUQNIDNHSA-N 1 1 556.776 6.181 1 0 KKAFMO CC(C)(C)C[N@H+]1CCC[C@@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226397 562817838 /nfs/dbraw/zinc/81/78/38/562817838.db2.gz MKZHQZOOENCXQI-PMERELPUSA-N 1 1 552.641 7.761 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233189 562818449 /nfs/dbraw/zinc/81/84/49/562818449.db2.gz WFKINWNQILYNCH-WLNZHLEZSA-N 1 1 542.768 7.262 1 0 KKAFMO CC(C)(C)n1nnnc1[C@@H](NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 ZINC000103233852 562818535 /nfs/dbraw/zinc/81/85/35/562818535.db2.gz ODVZHJQDBJYXGP-NRFANRHFSA-N 1 1 504.853 5.728 1 0 KKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)N[C@H]1C(=O)N(C2CCCCC2)[C@H]1/C=C/c1ccccc1 ZINC000103236296 562818888 /nfs/dbraw/zinc/81/88/88/562818888.db2.gz FFWZFDNQVCGXDL-QNDARKNKSA-N 1 1 546.115 6.005 1 0 KKAFMO C[N@@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2[C@H]1C(C)(C)C ZINC000103239109 562819250 /nfs/dbraw/zinc/81/92/50/562819250.db2.gz GHKPMDDCMGRGGC-QFIPXVFZSA-N 1 1 500.521 6.949 1 0 KKAFMO C[N@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2[C@H]1C(C)(C)C ZINC000103239109 562819251 /nfs/dbraw/zinc/81/92/51/562819251.db2.gz GHKPMDDCMGRGGC-QFIPXVFZSA-N 1 1 500.521 6.949 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000103239088 562819263 /nfs/dbraw/zinc/81/92/63/562819263.db2.gz FJJYRUPBDUQRHT-UHFFFAOYSA-N 1 1 548.565 7.017 1 0 KKAFMO Fc1ccc2[nH]c(N[C@](Cc3ccccc3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(Cl)cn3)[nH+]c2c1 ZINC000103261151 562821339 /nfs/dbraw/zinc/82/13/39/562821339.db2.gz CLGKMSSPTGEPGJ-HHHXNRCGSA-N 1 1 576.928 7.725 1 0 KKAFMO Cc1ccc(C[NH2+]Cc2ccco2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264920 562822033 /nfs/dbraw/zinc/82/20/33/562822033.db2.gz ZMRPPRXWFZWBNN-UHFFFAOYSA-N 1 1 587.602 7.538 1 0 KKAFMO COc1ccc(C[N@@H+](CCc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1O ZINC000103280717 562823527 /nfs/dbraw/zinc/82/35/27/562823527.db2.gz VSUIONUHPCBHSK-UHFFFAOYSA-N 1 1 505.250 6.171 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](CC1=C(c3ccccc3)CN3CCc4cc(OC)c(OC)cc4[C@H]3C1)[NH2+]CC2 ZINC000105223257 562825180 /nfs/dbraw/zinc/82/51/80/562825180.db2.gz SKPRLNUWCGPXAF-FQLXRVMXSA-N 1 1 526.677 5.755 1 0 KKAFMO Cc1cc(-c2cc3c4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4[nH]c3c(C(N)=O)c2)ccc1C[NH+]1CCOCC1 ZINC000113262047 562826415 /nfs/dbraw/zinc/82/64/15/562826415.db2.gz LXKWTOIXTFHEMH-UHFFFAOYSA-N 1 1 582.745 6.342 1 0 KKAFMO [NH3+][C@@H]1CCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114033800 562826983 /nfs/dbraw/zinc/82/69/83/562826983.db2.gz GSHUXKBVBPAPPF-QGZVFWFLSA-N 1 1 518.980 5.064 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@H]2CCC[NH2+]C2)nc1)C1CC1 ZINC000114035120 562827009 /nfs/dbraw/zinc/82/70/09/562827009.db2.gz NZSZHFYWNIRTCK-IBGZPJMESA-N 1 1 532.019 6.295 1 0 KKAFMO C[NH2+][C@H]1CCCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039263 562827384 /nfs/dbraw/zinc/82/73/84/562827384.db2.gz NBKZPCDCUOTJOH-FQEVSTJZSA-N 1 1 520.008 5.929 1 0 KKAFMO Cc1ccc(C)c(C[N@@H+]2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099289 562827623 /nfs/dbraw/zinc/82/76/23/562827623.db2.gz GTZKHPQGAAMWGK-AREMUKBSSA-N 1 1 501.067 5.004 1 0 KKAFMO Cc1ccc(C)c(C[N@H+]2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099289 562827624 /nfs/dbraw/zinc/82/76/24/562827624.db2.gz GTZKHPQGAAMWGK-AREMUKBSSA-N 1 1 501.067 5.004 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000114100300 562827710 /nfs/dbraw/zinc/82/77/10/562827710.db2.gz OQQYUUDNHQHZFJ-XMMPIXPASA-N 1 1 524.105 5.890 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000114100111 562827731 /nfs/dbraw/zinc/82/77/31/562827731.db2.gz RVZYMIMTFMNCLX-HSZRJFAPSA-N 1 1 529.077 5.169 1 0 KKAFMO COc1ccc(OC)c(C[N@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100214 562827741 /nfs/dbraw/zinc/82/77/41/562827741.db2.gz MKFNPMPQCHBNBZ-OAQYLSRUSA-N 1 1 517.066 5.025 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000114101034 562827756 /nfs/dbraw/zinc/82/77/56/562827756.db2.gz WSFCSRFSULFQNX-AREMUKBSSA-N 1 1 508.106 6.433 1 0 KKAFMO O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC000114979140 562828580 /nfs/dbraw/zinc/82/85/80/562828580.db2.gz MPWIOTFPHONUMI-JGCGQSQUSA-N 1 1 594.221 5.612 1 0 KKAFMO C[NH2+]Cc1cccc(F)c1-n1cc(CN2CCC3(CC2)OCC(F)(F)c2cc(Cl)sc23)c(C)n1 ZINC000117172490 562829705 /nfs/dbraw/zinc/82/97/05/562829705.db2.gz PETZZCNIISAXSO-UHFFFAOYSA-N 1 1 511.013 5.367 1 0 KKAFMO Nc1n[nH]c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C[NH3+])[nH]c3Cl)ccc12 ZINC000115466654 562828899 /nfs/dbraw/zinc/82/88/99/562828899.db2.gz PKKLAAQPYSEUAW-QFIPXVFZSA-N 1 1 549.466 5.084 1 0 in-vitro KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@H]3CC[N@@H+](C)C3)cn2)c1=O ZINC000116053912 562829149 /nfs/dbraw/zinc/82/91/49/562829149.db2.gz MPJHYCDNGHGKCK-NRFANRHFSA-N 1 1 613.759 5.385 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc([C@H]3CCC[N@H+]3C)cn2)c1=O ZINC000116053775 562829169 /nfs/dbraw/zinc/82/91/69/562829169.db2.gz PPLDDAVPZCQAOG-MUUNZHRXSA-N 1 1 613.759 5.732 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCOCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791965 562830631 /nfs/dbraw/zinc/83/06/31/562830631.db2.gz RSKLVMJITCOSKY-WPLOMWCUSA-N 1 1 549.111 6.598 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795435 562830655 /nfs/dbraw/zinc/83/06/55/562830655.db2.gz OQQLKHVTFRESEW-CYUPURTHSA-N 1 1 576.181 6.949 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795436 562830698 /nfs/dbraw/zinc/83/06/98/562830698.db2.gz OQQLKHVTFRESEW-GECAFNLLSA-N 1 1 576.181 6.949 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928380 562832236 /nfs/dbraw/zinc/83/22/36/562832236.db2.gz YTHUQGIGAIZNIM-LJAQVGFWSA-N 1 1 519.653 5.078 1 0 KKAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccoc4c3=O)Cc3ccccc3C)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139568741 562832627 /nfs/dbraw/zinc/83/26/27/562832627.db2.gz PZCYDKAVVVBKMA-UHFFFAOYSA-N 1 1 584.717 5.230 1 0 KKAFMO C[N@H+]1CC[C@H](COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@H]2CCCO2)C1 ZINC000139919211 562832845 /nfs/dbraw/zinc/83/28/45/562832845.db2.gz BYVKTKUNYXDYDU-DQUVTTBFSA-N 1 1 525.637 5.117 1 0 KKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O ZINC000140498227 562833101 /nfs/dbraw/zinc/83/31/01/562833101.db2.gz CNCGTAOYBMSNPM-ZCYQVOJMSA-N 1 1 510.723 5.202 1 0 KKAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)c5ccoc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000140685625 562833274 /nfs/dbraw/zinc/83/32/74/562833274.db2.gz AHOLDHVYFHBULL-REWPJTCUSA-N 1 1 544.618 5.021 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000146067133 562838066 /nfs/dbraw/zinc/83/80/66/562838066.db2.gz WZEMWSQSTMQNDG-RTWAWAEBSA-N 1 1 597.091 5.076 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(C)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)C3(C)C)n1 ZINC000146067133 562838067 /nfs/dbraw/zinc/83/80/67/562838067.db2.gz WZEMWSQSTMQNDG-RTWAWAEBSA-N 1 1 597.091 5.076 1 0 KKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872193 562838889 /nfs/dbraw/zinc/83/88/89/562838889.db2.gz IYBGHBZUXSMOKI-BDLFVCEQSA-N 1 1 506.650 6.115 1 0 KKAFMO O=S(=O)(Nc1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CC[NH2+]CC2)C1 ZINC000147418838 562839327 /nfs/dbraw/zinc/83/93/27/562839327.db2.gz JDTSMWBMEDXGCW-UHFFFAOYSA-N 1 1 538.592 5.060 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)C[C@H](C)C1 ZINC000147812364 562839710 /nfs/dbraw/zinc/83/97/10/562839710.db2.gz DIRLZPUXYYONHN-LAUBAEHRSA-N 1 1 543.668 5.936 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)C[C@H](C)C1 ZINC000147812364 562839711 /nfs/dbraw/zinc/83/97/11/562839711.db2.gz DIRLZPUXYYONHN-LAUBAEHRSA-N 1 1 543.668 5.936 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(NCCC[NH+]5CCOCC5)nc43)c2)cc1C(F)(F)F ZINC000148065562 562840089 /nfs/dbraw/zinc/84/00/89/562840089.db2.gz QORVYNRXOWEAIT-UHFFFAOYSA-N 1 1 617.032 5.231 1 0 KKAFMO OC[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000148100846 562840234 /nfs/dbraw/zinc/84/02/34/562840234.db2.gz YAEJOANLERDYGA-WZJLIZBTSA-N 1 1 523.673 5.619 1 0 KKAFMO C[C@@H](CCCc1ccc(F)cc1)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](Cc2ccccc2)CC1 ZINC000148778969 562841769 /nfs/dbraw/zinc/84/17/69/562841769.db2.gz NNWHHZWGFMXAIM-ZEQRLZLVSA-N 1 1 513.697 8.124 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000148835135 562841818 /nfs/dbraw/zinc/84/18/18/562841818.db2.gz ZVFDAHHZJSBMQX-QHCPKHFHSA-N 1 1 510.078 5.879 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000148830465 562841852 /nfs/dbraw/zinc/84/18/52/562841852.db2.gz AXULDDIUSDCLAU-VWLOTQADSA-N 1 1 526.121 5.390 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCN3)C1 ZINC000148838238 562841927 /nfs/dbraw/zinc/84/19/27/562841927.db2.gz VGWPBULXNAUXJI-QHCPKHFHSA-N 1 1 512.094 5.366 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150536942 562843984 /nfs/dbraw/zinc/84/39/84/562843984.db2.gz ZIMSQZUTUQQLNQ-DYYYKTGISA-N 1 1 653.893 6.478 1 0 KKAFMO CC[NH+](CCCCOc1cc([O-])c2c(c1)occ(-c1ccc(OCCCC[N@H+](CC)Cc3ccccc3)cc1)c2=O)Cc1ccccc1 ZINC000150599234 562846989 /nfs/dbraw/zinc/84/69/89/562846989.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 1 1 648.844 8.528 1 0 KKAFMO CC[NH+](CCCCOc1cc([O-])c2c(c1)occ(-c1ccc(OCCCC[N@H+](CC)Cc3ccccc3OC)cc1)c2=O)Cc1ccccc1OC ZINC000150599238 562846976 /nfs/dbraw/zinc/84/69/76/562846976.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 1 1 708.896 8.545 1 0 KKAFMO CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4OC)cc([O-])c3c2=O)cc1)Cc1ccccc1OC ZINC000150599238 562846977 /nfs/dbraw/zinc/84/69/77/562846977.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 1 1 708.896 8.545 1 0 KKAFMO CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4OC)cc([O-])c3c2=O)cc1)Cc1ccccc1OC ZINC000150599238 562846978 /nfs/dbraw/zinc/84/69/78/562846978.db2.gz FFTKMAHTNAEBCM-UHFFFAOYSA-N 1 1 708.896 8.545 1 0 KKAFMO CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@H+](CC)Cc4ccccc4)cc([O-])c3c2=O)cc1)Cc1ccccc1 ZINC000150599234 562846990 /nfs/dbraw/zinc/84/69/90/562846990.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 1 1 648.844 8.528 1 0 KKAFMO CC[NH+](CCCCOc1ccc(-c2coc3cc(OCCCC[N@@H+](CC)Cc4ccccc4)cc([O-])c3c2=O)cc1)Cc1ccccc1 ZINC000150599234 562846991 /nfs/dbraw/zinc/84/69/91/562846991.db2.gz GKGSKVGZCUKOSW-UHFFFAOYSA-N 1 1 648.844 8.528 1 0 KKAFMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H]5CCCO5)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150604348 562847645 /nfs/dbraw/zinc/84/76/45/562847645.db2.gz LCVVOGSBGVZEFF-MYOMABOUSA-N 1 1 683.857 6.943 1 0 KKAFMO CC[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606286 562847925 /nfs/dbraw/zinc/84/79/25/562847925.db2.gz SKOJQVCTPDDCCR-ZJJOJAIXSA-N 1 1 678.919 5.818 1 0 KKAFMO CN1CCC([N@@H+](C)C[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)c2ccccc2)CC1 ZINC000164745513 562849713 /nfs/dbraw/zinc/84/97/13/562849713.db2.gz PWIBKSRNGJCKTO-OAHLLOKOSA-N 1 1 679.093 6.792 1 0 KKAFMO CN(C[C@@H](Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br)c1ccccc1)C1CC[NH+](C)CC1 ZINC000164745513 562849714 /nfs/dbraw/zinc/84/97/14/562849714.db2.gz PWIBKSRNGJCKTO-OAHLLOKOSA-N 1 1 679.093 6.792 1 0 KKAFMO CC(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 ZINC000164777766 562849744 /nfs/dbraw/zinc/84/97/44/562849744.db2.gz PCKWZFJFZKRZJN-SGUUMDGVSA-N 1 1 661.646 5.837 1 0 KKAFMO Cc1cn2c(n1)nc(-c1ccc(C[NH+]3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc1)c(-c1ccccc1)c2NC(C)C ZINC000167303244 562850712 /nfs/dbraw/zinc/85/07/12/562850712.db2.gz TZOOLGKFXCYWIR-UHFFFAOYSA-N 1 1 569.717 6.280 1 0 KKAFMO Cc1cccc(-c2nc(C3C[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)n[nH]2)n1 ZINC000167567832 562850983 /nfs/dbraw/zinc/85/09/83/562850983.db2.gz OXBHEIYIPWJXDL-UHFFFAOYSA-N 1 1 539.647 5.424 1 0 KKAFMO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(C[N@H+]5CCCOCC5)cc4)c3)CC2)cs1 ZINC000168448871 562851393 /nfs/dbraw/zinc/85/13/93/562851393.db2.gz MCAYEGAYJGQRAY-ISILISOKSA-N 1 1 643.785 6.138 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cn6cc(F)ccc6n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000168615232 562851485 /nfs/dbraw/zinc/85/14/85/562851485.db2.gz ZGLFHCGMJMJNKY-UFDCYXHMSA-N 1 1 693.799 6.120 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5cn6cc(F)ccc6n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000168615232 562851486 /nfs/dbraw/zinc/85/14/86/562851486.db2.gz ZGLFHCGMJMJNKY-UFDCYXHMSA-N 1 1 693.799 6.120 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)o1 ZINC000169297527 562852522 /nfs/dbraw/zinc/85/25/22/562852522.db2.gz RLDHKTIILVTVIL-HYBUGGRVSA-N 1 1 505.610 5.642 1 0 KKAFMO COC[C@H](C)[NH2+]Cc1csc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(-c3ncccc3C)c2)n1 ZINC000169306757 562853578 /nfs/dbraw/zinc/85/35/78/562853578.db2.gz GXPZFRYBPOFRID-IBGZPJMESA-N 1 1 566.705 5.086 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)OCc3ccccc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307062 562853727 /nfs/dbraw/zinc/85/37/27/562853727.db2.gz SLTCXVQIICRRLH-DHUJRADRSA-N 1 1 587.768 6.215 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169312094 562855274 /nfs/dbraw/zinc/85/52/74/562855274.db2.gz AQBIPWHIWZFQLT-FCHUYYIVSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169312094 562855275 /nfs/dbraw/zinc/85/52/75/562855275.db2.gz AQBIPWHIWZFQLT-FCHUYYIVSA-N 1 1 554.638 6.039 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317521 562855982 /nfs/dbraw/zinc/85/59/82/562855982.db2.gz UZVLCYSJIDJZJW-UHSQPCAPSA-N 1 1 509.568 6.741 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317793 562856045 /nfs/dbraw/zinc/85/60/45/562856045.db2.gz YWKQKXOEKQEVAI-RDGATRHJSA-N 1 1 527.505 6.606 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000169323271 562856983 /nfs/dbraw/zinc/85/69/83/562856983.db2.gz AWJOAMPQOUEKCN-ZBLYBZFDSA-N 1 1 523.628 6.113 1 0 KKAFMO 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 562856990 /nfs/dbraw/zinc/85/69/90/562856990.db2.gz QUPPZULLRXQLGP-BHVANESWSA-N 1 1 731.356 7.165 1 0 KKAFMO COCC[N@H+]1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)cc3nc2-c2ccccc2C)C1 ZINC000169323230 562856996 /nfs/dbraw/zinc/85/69/96/562856996.db2.gz AHVNWELDVAWIPM-HXUWFJFHSA-N 1 1 508.087 6.112 1 0 KKAFMO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CCCCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc([O-])c(Cl)c3)CC2)ccc1O ZINC000169323324 562857037 /nfs/dbraw/zinc/85/70/37/562857037.db2.gz LVPZMNAGJCNTKS-QNGWXLTQSA-N 1 1 745.383 7.637 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3cccc(OC)c3)n2)CC1 ZINC000169323791 562857211 /nfs/dbraw/zinc/85/72/11/562857211.db2.gz ZOFNTXLFHUNWDI-UHFFFAOYSA-N 1 1 582.112 6.455 1 0 KKAFMO CCOC(=O)/C=C\C(=O)Nc1cccc(CCC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)c1 ZINC000169346325 562861772 /nfs/dbraw/zinc/86/17/72/562861772.db2.gz NJSNAKJFFPLGPW-KOUMAVGWSA-N 1 1 502.655 5.141 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C)c(=O)cc2C)cc1F ZINC000169350401 562862815 /nfs/dbraw/zinc/86/28/15/562862815.db2.gz WMQYCMRSTBMSOT-UHFFFAOYSA-N 1 1 666.754 5.606 1 0 KKAFMO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c(C)cc2=O)cc1 ZINC000169350735 562862948 /nfs/dbraw/zinc/86/29/48/562862948.db2.gz YHWVCVIFVQQPDI-UHFFFAOYSA-N 1 1 669.710 5.391 1 0 KKAFMO COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2C(=O)N2CC[NH+](CCO)CC2)c(OC(C)C)c1 ZINC000169353767 562863544 /nfs/dbraw/zinc/86/35/44/562863544.db2.gz ROSNPAITVFVLCS-UHFFFAOYSA-N 1 1 609.554 6.565 1 0 KKAFMO C[C@@H](C(=O)Nc1nc([C@H](CC[N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000169355570 562863752 /nfs/dbraw/zinc/86/37/52/562863752.db2.gz JWKLHPJIQARGDH-WXJKGDLSSA-N 1 1 740.814 9.020 1 0 KKAFMO C[NH+](C)[C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000203988571 562874267 /nfs/dbraw/zinc/87/42/67/562874267.db2.gz RUHPPIMINRPEER-NRFANRHFSA-N 1 1 546.046 6.272 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204423910 562874481 /nfs/dbraw/zinc/87/44/81/562874481.db2.gz KIYKQIDKJXPBAJ-QFIPXVFZSA-N 1 1 514.678 5.079 1 0 KKAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)c(Br)c(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205714317 562875741 /nfs/dbraw/zinc/87/57/41/562875741.db2.gz OCCONAFXMOLOEB-UHFFFAOYSA-N 1 1 651.646 5.497 1 0 KKAFMO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(N(CC)C2CCOCC2)c1C ZINC000205715331 562875794 /nfs/dbraw/zinc/87/57/94/562875794.db2.gz GAYPXEWQCCLAHL-UHFFFAOYSA-N 1 1 600.804 5.379 1 0 KKAFMO CCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCCC1 ZINC000205715011 562875803 /nfs/dbraw/zinc/87/58/03/562875803.db2.gz IXUQWTQLDBSPGX-UHFFFAOYSA-N 1 1 556.751 5.498 1 0 KKAFMO CCOC(=O)N1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206739432 562876487 /nfs/dbraw/zinc/87/64/87/562876487.db2.gz YJGSRRFKKVCPGG-UHFFFAOYSA-N 1 1 536.028 6.484 1 0 KKAFMO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3ccc(F)cc3[nH+]2)[C@@H](OC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000206708767 562876490 /nfs/dbraw/zinc/87/64/90/562876490.db2.gz ONXOLONSBJTOEF-DQEYMECFSA-N 1 1 516.573 5.626 1 0 KKAFMO COc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH+]c2c1 ZINC000206708708 562876529 /nfs/dbraw/zinc/87/65/29/562876529.db2.gz QISXYXTUQWAAJT-UIOOFZCWSA-N 1 1 528.609 5.495 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@H]1[C@](C)(O)CCc1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000207361217 562876689 /nfs/dbraw/zinc/87/66/89/562876689.db2.gz WTGSHWLSWVFVAH-YHHXEXKJSA-N 1 1 521.723 5.062 1 0 KKAFMO COc1cc(F)ccc1-c1c2cc(C(C)C)cc(NS(C)(=O)=O)c2[nH]c1C[N@@H+](C)Cc1ccccc1 ZINC000219221856 562878019 /nfs/dbraw/zinc/87/80/19/562878019.db2.gz MFAGIEMFDDDLMT-UHFFFAOYSA-N 1 1 509.647 6.110 1 0 in-vitro KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(C)cc5)n4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221775332 562879227 /nfs/dbraw/zinc/87/92/27/562879227.db2.gz QHCROMIWNQKJBE-JLPGSUDCSA-N 1 1 537.689 5.611 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221774857 562879253 /nfs/dbraw/zinc/87/92/53/562879253.db2.gz PKYCZRASNUSBIC-OOAXWGSJSA-N 1 1 516.645 5.846 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222190884 562879783 /nfs/dbraw/zinc/87/97/83/562879783.db2.gz HHXLIMZXZVZKGQ-UHFFFAOYSA-N 1 1 680.659 6.436 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000253655794 562882649 /nfs/dbraw/zinc/88/26/49/562882649.db2.gz JZQUTVIGHZYROK-IJFLYPFCSA-N 1 1 590.652 7.986 1 0 KKAFMO CCC[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OCc2ccc(C(F)(F)F)cc2)c1OC ZINC000299825066 562883470 /nfs/dbraw/zinc/88/34/70/562883470.db2.gz VYPVGMDHXHKMCY-FUCFDFLFSA-N 1 1 630.671 6.569 1 0 KKAFMO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc([C@H]3CC[C@H](c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)n4)CC3)cc2)c[nH]1)c1ccccc1 ZINC000299826421 562883850 /nfs/dbraw/zinc/88/38/50/562883850.db2.gz LUUHLEOWFWIQJP-JGAGYCHQSA-N 1 1 782.990 7.968 1 0 KKAFMO CCCCCOC(=O)CCC(=O)N1CC[NH+](CCCOc2cc3c(cc2OC)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000299829842 562885024 /nfs/dbraw/zinc/88/50/24/562885024.db2.gz VLOGOZQFPRCIPP-UHFFFAOYSA-N 1 1 616.134 5.601 1 0 KKAFMO O=C(NCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299834820 562886566 /nfs/dbraw/zinc/88/65/66/562886566.db2.gz ZQFXENUXQNLUDE-UHFFFAOYSA-N 1 1 624.616 8.616 1 0 KKAFMO CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C[NH2+][C@@H](c3ccc(C(F)(F)F)cc3)P(=O)(Oc3ccccc3)Oc3ccccc3)CCC[C@]21C ZINC000299835224 562886757 /nfs/dbraw/zinc/88/67/57/562886757.db2.gz KZLWUOLAOQDXQG-FHEXXAODSA-N 1 1 675.772 11.479 1 0 KKAFMO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)c(O)cc1O ZINC000299835209 562886777 /nfs/dbraw/zinc/88/67/77/562886777.db2.gz KXPSBWYDIUVSGL-KDURUIRLSA-N 1 1 503.643 6.370 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N(C)C[C@@H]4CCC[N@@H+](C)C4)c4ccc(C)cc34)cc2)c1C ZINC000299835587 562886899 /nfs/dbraw/zinc/88/68/99/562886899.db2.gz WSZRNNLGVAOXKP-RUZDIDTESA-N 1 1 582.749 5.479 1 0 KKAFMO C[N@H+]1CCC[C@H](Nc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)C1 ZINC000299836560 562887244 /nfs/dbraw/zinc/88/72/44/562887244.db2.gz NPDBZGWDNRJYIQ-NRFANRHFSA-N 1 1 542.647 6.610 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)cc1F ZINC000299837614 562887570 /nfs/dbraw/zinc/88/75/70/562887570.db2.gz RXQZRDTUYYDUIN-UHFFFAOYSA-N 1 1 702.612 6.406 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000299845235 562889427 /nfs/dbraw/zinc/88/94/27/562889427.db2.gz ULWOQYXTZAOOPO-RRPNLBNLSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000299845235 562889428 /nfs/dbraw/zinc/88/94/28/562889428.db2.gz ULWOQYXTZAOOPO-RRPNLBNLSA-N 1 1 530.665 5.057 1 0 KKAFMO CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)c12 ZINC000299856653 562891977 /nfs/dbraw/zinc/89/19/77/562891977.db2.gz DBAWVRYWKTVMEZ-AREMUKBSSA-N 1 1 592.850 6.802 1 0 KKAFMO O=c1cc(-c2ccccc2)c2ccc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299860367 562892892 /nfs/dbraw/zinc/89/28/92/562892892.db2.gz JEVDJCMWVBWXEC-UHFFFAOYSA-N 1 1 588.752 6.386 1 0 KKAFMO Cc1c(C)c(=O)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000299864243 562894023 /nfs/dbraw/zinc/89/40/23/562894023.db2.gz QXXGDBDNPIPTRF-UHFFFAOYSA-N 1 1 540.708 5.335 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccccc12 ZINC000299869484 562895312 /nfs/dbraw/zinc/89/53/12/562895312.db2.gz USINGHGVMDUYQA-YCNHBXJWSA-N 1 1 573.693 5.172 1 0 KKAFMO CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@@H]2c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473083650 562896834 /nfs/dbraw/zinc/89/68/34/562896834.db2.gz PARRFIAYDACNFT-MUUNZHRXSA-N 1 1 572.065 5.803 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473085577 562896998 /nfs/dbraw/zinc/89/69/98/562896998.db2.gz YESHBHGRWOXDSI-HHHXNRCGSA-N 1 1 562.457 6.058 1 0 KKAFMO Brc1ccc(-c2nc3ncccn3c2CN2CC[NH+](Cc3c(-c4ccc(Br)cc4)nc4ncccn34)CC2)cc1 ZINC000473089030 562897392 /nfs/dbraw/zinc/89/73/92/562897392.db2.gz QKUNBJZRRFULEC-UHFFFAOYSA-N 1 1 658.402 5.949 1 0 KKAFMO Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CC[NH+](C)CC2)n1 ZINC000473090703 562897568 /nfs/dbraw/zinc/89/75/68/562897568.db2.gz ADLODFKELCDENP-UHFFFAOYSA-N 1 1 500.632 5.048 1 0 KKAFMO CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)cc[nH+]c4c3)cc2)CC1 ZINC000473095130 562897863 /nfs/dbraw/zinc/89/78/63/562897863.db2.gz XGHAZKLZDCGUCS-UHFFFAOYSA-N 1 1 631.173 7.343 1 0 KKAFMO CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(CC[N@@H+](CCOCc1ccccc1)CCn1cnc2c1nc[nH]c2=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C ZINC000473108259 562898398 /nfs/dbraw/zinc/89/83/98/562898398.db2.gz LPBFLWOAHCAXLA-BCRBLDSWSA-N 1 1 799.910 5.549 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 ZINC000473113551 562898809 /nfs/dbraw/zinc/89/88/09/562898809.db2.gz JGPRYZHRUVQQMM-UHFFFAOYSA-N 1 1 519.594 5.482 1 0 KKAFMO CC[N@@H+](CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473114004 562898865 /nfs/dbraw/zinc/89/88/65/562898865.db2.gz LBEVTNNIHCJLJV-UHFFFAOYSA-N 1 1 517.622 6.167 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136167 562900963 /nfs/dbraw/zinc/90/09/63/562900963.db2.gz NMZKUZFCZYLPLW-OIZKAKEOSA-N 1 1 571.146 7.433 1 0 KKAFMO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(C(=S)NC3CCCCC3)CC2)c2ccccc2)cc1 ZINC000473137264 562901186 /nfs/dbraw/zinc/90/11/86/562901186.db2.gz XOWAZILIXDZDCT-VWLOTQADSA-N 1 1 505.650 6.040 1 0 KKAFMO CO[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152157 562901774 /nfs/dbraw/zinc/90/17/74/562901774.db2.gz ZNKKWDWTXAGSNK-SXSPYAJSSA-N 1 1 568.545 6.620 1 0 KKAFMO CO[C@@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152157 562901775 /nfs/dbraw/zinc/90/17/75/562901775.db2.gz ZNKKWDWTXAGSNK-SXSPYAJSSA-N 1 1 568.545 6.620 1 0 KKAFMO CO[C@H]1CC[N@@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152158 562901804 /nfs/dbraw/zinc/90/18/04/562901804.db2.gz ZNKKWDWTXAGSNK-TZYHBYERSA-N 1 1 568.545 6.620 1 0 KKAFMO CO[C@H]1CC[N@H+](C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000473152158 562901805 /nfs/dbraw/zinc/90/18/05/562901805.db2.gz ZNKKWDWTXAGSNK-TZYHBYERSA-N 1 1 568.545 6.620 1 0 KKAFMO C[NH+](C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159172 562902622 /nfs/dbraw/zinc/90/26/22/562902622.db2.gz MPYUWVCFVIOYNX-GCSLNTQSSA-N 1 1 512.025 5.062 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@H](O)C2)CC1 ZINC000473165343 562902964 /nfs/dbraw/zinc/90/29/64/562902964.db2.gz ZMJZOFJNMWOPSG-YYWHXJBOSA-N 1 1 528.480 5.576 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccncc2)C(C)C)nn1 ZINC000473166252 562903010 /nfs/dbraw/zinc/90/30/10/562903010.db2.gz FSMFTHPDNIOSTO-FNZWTVRRSA-N 1 1 521.559 5.270 1 0 KKAFMO C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197791 562903688 /nfs/dbraw/zinc/90/36/88/562903688.db2.gz FMOQEUSSKGBLAW-SNRMKQJTSA-N 1 1 557.522 5.751 1 0 KKAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473199359 562903757 /nfs/dbraw/zinc/90/37/57/562903757.db2.gz ZKXICVCCUKCOEZ-IRJFHVNHSA-N 1 1 512.069 6.583 1 0 KKAFMO O=C([O-])CC[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 ZINC000473236495 562904689 /nfs/dbraw/zinc/90/46/89/562904689.db2.gz LVQQAMOPIWIZSC-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO O=C([O-])CC[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236495 562904690 /nfs/dbraw/zinc/90/46/90/562904690.db2.gz LVQQAMOPIWIZSC-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO O=C([O-])CC[NH+]1CC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236495 562904691 /nfs/dbraw/zinc/90/46/91/562904691.db2.gz LVQQAMOPIWIZSC-WCSHMYRTSA-N 1 1 532.773 6.292 1 0 KKAFMO O=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 ZINC000473236398 562904697 /nfs/dbraw/zinc/90/46/97/562904697.db2.gz COWMKSSPBCWJGG-JBFJIUAJSA-N 1 1 518.746 6.045 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236398 562904698 /nfs/dbraw/zinc/90/46/98/562904698.db2.gz COWMKSSPBCWJGG-JBFJIUAJSA-N 1 1 518.746 6.045 1 0 KKAFMO O=C([O-])C[NH+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236398 562904699 /nfs/dbraw/zinc/90/46/99/562904699.db2.gz COWMKSSPBCWJGG-JBFJIUAJSA-N 1 1 518.746 6.045 1 0 KKAFMO CN1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607083 562905405 /nfs/dbraw/zinc/90/54/05/562905405.db2.gz JDWTWPKCJRCHIA-BHBYDHKZSA-N 1 1 640.206 5.762 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4cccc(Br)c4)n3)ccc21 ZINC000474609735 562905677 /nfs/dbraw/zinc/90/56/77/562905677.db2.gz UCUICAJZDAGNQZ-MHZLTWQESA-N 1 1 521.434 6.156 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3nc(-c4cccc(Br)c4)n[nH]3)ccc21 ZINC000474609735 562905678 /nfs/dbraw/zinc/90/56/78/562905678.db2.gz UCUICAJZDAGNQZ-MHZLTWQESA-N 1 1 521.434 6.156 1 0 KKAFMO Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(F)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474610012 562905800 /nfs/dbraw/zinc/90/58/00/562905800.db2.gz ZCHJSOMCLMTGJP-UHFFFAOYSA-N 1 1 565.755 5.528 1 0 KKAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653672868 562906200 /nfs/dbraw/zinc/90/62/00/562906200.db2.gz NIDZTCVHIXNLMV-UHFFFAOYSA-N 1 1 577.512 7.003 1 0 KKAFMO C[NH+]1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccc(CNc6ccccc6)cc5)cn43)c2)CC1 ZINC000653682400 562906376 /nfs/dbraw/zinc/90/63/76/562906376.db2.gz UCDZCNJULGRURV-UHFFFAOYSA-N 1 1 502.622 5.063 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000653708641 562907941 /nfs/dbraw/zinc/90/79/41/562907941.db2.gz BJPTWWXRRXRJMX-UHFFFAOYSA-N 1 1 561.086 5.304 1 0 KKAFMO COc1ccc(-c2nc(CN3CC[NH+](Cc4cc5c6ccccc6[nH]c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4[nH]c32)cc1 ZINC000653714704 562908399 /nfs/dbraw/zinc/90/83/99/562908399.db2.gz CQBGMDDGFNBYGV-UHFFFAOYSA-N 1 1 658.806 8.415 1 0 KKAFMO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653718329 562908621 /nfs/dbraw/zinc/90/86/21/562908621.db2.gz ATPOKRXNKXSTJP-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc3ccccc3n2c1-c1ccccc1 ZINC000653718329 562908622 /nfs/dbraw/zinc/90/86/22/562908622.db2.gz ATPOKRXNKXSTJP-UHFFFAOYSA-N 1 1 633.756 7.558 1 0 KKAFMO Cc1nc(Nc2nc(Nc3cc(C)c(C4CC[NH+](C)CC4)cc3OC3CC3)ncc2Cl)c(S(=O)(=O)C(C)C)s1 ZINC000653729347 562909383 /nfs/dbraw/zinc/90/93/83/562909383.db2.gz UJLWFRSYBKZXKS-UHFFFAOYSA-N 1 1 591.203 6.223 1 0 KKAFMO CN(c1ccc(OCC[NH+]2CCN(Cc3ccc(F)c(F)c3)CC2)cc1)c1nc(Cl)nc2ccccc21 ZINC000653737753 562909862 /nfs/dbraw/zinc/90/98/62/562909862.db2.gz SGCBGQGWNSYZHA-UHFFFAOYSA-N 1 1 524.015 5.526 1 0 KKAFMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 ZINC000653788930 562912544 /nfs/dbraw/zinc/91/25/44/562912544.db2.gz CFKHAUNRVBULOY-LJAQVGFWSA-N 1 1 541.777 5.160 1 0 KKAFMO CC(=O)c1ccc(-c2nnc(SCCC[N@@H+]3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2C)cc1 ZINC000653798120 562913203 /nfs/dbraw/zinc/91/32/03/562913203.db2.gz YSOFLAUQLXWHBW-JOCHJYFZSA-N 1 1 504.578 5.259 1 0 KKAFMO CC(=O)c1ccc(-c2nnc(SCCC[N@H+]3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)n2C)cc1 ZINC000653798120 562913204 /nfs/dbraw/zinc/91/32/04/562913204.db2.gz YSOFLAUQLXWHBW-JOCHJYFZSA-N 1 1 504.578 5.259 1 0 KKAFMO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(-c4ccccc4)n3)ccc2n1Cc1ccccc1 ZINC000653801593 562913400 /nfs/dbraw/zinc/91/34/00/562913400.db2.gz HKQRRBLUESALEW-UHFFFAOYSA-N 1 1 501.569 6.871 1 0 KKAFMO C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)C[NH+](C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822621 562914175 /nfs/dbraw/zinc/91/41/75/562914175.db2.gz FARNSAZMRIPYES-CQSZACIVSA-N 1 1 538.439 5.472 1 0 KKAFMO Cc1c(CN2CCN(c3ccccc3)CC2)c(C[NH+]2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000653846225 562915195 /nfs/dbraw/zinc/91/51/95/562915195.db2.gz LRRYQRCXCBURMZ-UHFFFAOYSA-N 1 1 554.182 6.392 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)cc2)CC1 ZINC000653850709 562915530 /nfs/dbraw/zinc/91/55/30/562915530.db2.gz XBWVZDKPBZVCQS-UHFFFAOYSA-N 1 1 524.665 5.095 1 0 KKAFMO COC(=O)CN1C(=O)N(CCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000653851627 562915581 /nfs/dbraw/zinc/91/55/81/562915581.db2.gz HIPPCSJZXLFSAV-UHFFFAOYSA-N 1 1 609.554 5.277 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H]2N(C)CC3 ZINC000085530748 565135924 /nfs/dbraw/zinc/13/59/24/565135924.db2.gz KHBIFQFUMNKOBN-WJVKJDHCSA-N 1 1 608.735 6.968 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532371 565137649 /nfs/dbraw/zinc/13/76/49/565137649.db2.gz UNWFSCUILZCDPR-KYGBQBJKSA-N 1 1 641.893 8.219 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532284 565137657 /nfs/dbraw/zinc/13/76/57/565137657.db2.gz HFYYFDBNGXXDCA-STTPWCIYSA-N 1 1 685.946 7.776 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@H]4CCCC[C@H]4CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532543 565137907 /nfs/dbraw/zinc/13/79/07/565137907.db2.gz ZPKZWDYQAOAAHO-BPYDGMDCSA-N 1 1 617.871 7.931 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@@H](C2)[N@@H+](C)CC3)OCO4 ZINC000085541026 565139224 /nfs/dbraw/zinc/13/92/24/565139224.db2.gz OSOKLEWJPLGVBW-MUUNZHRXSA-N 1 1 648.712 7.258 1 0 biogenic,in-vitro KKAFMO CC[C@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](c3cc[nH+]c(N)c3)C3(c4ccc[nH]4)CCCCC3)c2)CC1 ZINC000085631972 565166001 /nfs/dbraw/zinc/16/60/01/565166001.db2.gz AQHOPRSGXVRFNQ-HTGDVJDDSA-N 1 1 616.867 7.589 1 0 biogenic,in-vitro KKAFMO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098949 565172110 /nfs/dbraw/zinc/17/21/10/565172110.db2.gz FFYNASFFQZNXIU-NSOVKSMOSA-N 1 1 684.786 6.163 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000095919494 565190499 /nfs/dbraw/zinc/19/04/99/565190499.db2.gz VTLSDWRFYLEEDA-FYGBBITLSA-N 1 1 669.947 8.803 1 0 biogenic,in-vitro KKAFMO O=C(C=C(O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@@H]1CCCCc1cccc(O)c1)CCc1ccc(O)c2c1CCCO2 ZINC000103531506 565194288 /nfs/dbraw/zinc/19/42/88/565194288.db2.gz NINSYCPBCZRPOW-NWWLCHBLSA-N 1 1 605.735 6.434 1 0 biogenic,in-vitro KKAFMO CC[C@@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](c3cc[nH+]c(N)c3)C3(c4ccc[nH]4)CCCC3)c2)CC1 ZINC000085631975 291944420 /nfs/dbraw/zinc/94/44/20/291944420.db2.gz DCRYPYHEEWMVBB-WMZMSHQWSA-N 1 1 602.840 7.199 1 0 biogenic,in-vitro KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3c2)o1 ZINC000001902533 561680130 /nfs/dbraw/zinc/68/01/30/561680130.db2.gz NIWCLOVPIUBQEZ-UHFFFAOYSA-N 1 1 552.660 5.166 1 0 KKAFMO COc1ccc(S(=O)(=O)Oc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000001543203 561677174 /nfs/dbraw/zinc/67/71/74/561677174.db2.gz RTJYNDZSOVYLSA-LJAQVGFWSA-N 1 1 516.663 6.575 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc5nc(C)ccc5c4)n2C)CC3)no1 ZINC000001552773 561677505 /nfs/dbraw/zinc/67/75/05/561677505.db2.gz WJWXIOHJLIZWJX-UHFFFAOYSA-N 1 1 524.694 5.885 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cc4ccccn43)cc2)cc1OC ZINC000003922444 561685885 /nfs/dbraw/zinc/68/58/85/561685885.db2.gz LFTRZGGKYPBWRF-UHFFFAOYSA-N 1 1 550.721 5.856 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000003922448 561685942 /nfs/dbraw/zinc/68/59/42/561685942.db2.gz YQKXFLGSXCVXCX-UHFFFAOYSA-N 1 1 551.705 6.350 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000008585217 561705814 /nfs/dbraw/zinc/70/58/14/561705814.db2.gz ZFVHPLAFXZCAIY-ANUHUJQCSA-N 1 1 575.752 8.829 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008860372 561708671 /nfs/dbraw/zinc/70/86/71/561708671.db2.gz VDLPWXZTFMEIKB-QJOHXIFOSA-N 1 1 643.749 9.848 3 0 KKAFMO CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000013479580 561714988 /nfs/dbraw/zinc/71/49/88/561714988.db2.gz XEQPCWADPBBPBI-MLKSZZLFSA-N 1 1 516.698 5.984 1 0 KKAFMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013534619 561717905 /nfs/dbraw/zinc/71/79/05/561717905.db2.gz CWPYEAPHWBNCJQ-ZEQRLZLVSA-N 1 1 518.529 5.820 1 0 KKAFMO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 ZINC000013761790 561728169 /nfs/dbraw/zinc/72/81/69/561728169.db2.gz UBEGVPCWEXAFEJ-UHFFFAOYSA-N 1 1 530.068 5.672 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000013661190 561723489 /nfs/dbraw/zinc/72/34/89/561723489.db2.gz PODNXBRQMKYVOI-ZJSXRUAMSA-N 1 1 535.681 6.526 3 0 KKAFMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC000013671981 561723794 /nfs/dbraw/zinc/72/37/94/561723794.db2.gz WTECJAHWHNJGGJ-LJQANCHMSA-N 1 1 502.537 5.356 1 0 KKAFMO CCCC(=O)c1cnc2c(OCCC[N@@H+](C)CCCc3ccccc3)cccc2c1Nc1ccccc1C ZINC000013742239 561726239 /nfs/dbraw/zinc/72/62/39/561726239.db2.gz IJRNRHMLDIKGKA-UHFFFAOYSA-N 1 1 509.694 7.603 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781691 561729442 /nfs/dbraw/zinc/72/94/42/561729442.db2.gz QQVFLDPVNBJVOR-LJAQVGFWSA-N 1 1 540.770 6.027 1 0 KKAFMO COc1ccc(Cl)c(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)cc(OC4CCCCC4)c32)c1 ZINC000014949403 561745050 /nfs/dbraw/zinc/74/50/50/561745050.db2.gz PVCJFQPSQDXYBC-UHFFFAOYSA-N 1 1 527.065 5.848 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@H]5CCC[N@H+]5C)c4)nc3c2)ccn1 ZINC000016052882 561754076 /nfs/dbraw/zinc/75/40/76/561754076.db2.gz KMNCFOUKJYOZIF-QGZVFWFLSA-N 1 1 507.978 5.245 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577439 561756625 /nfs/dbraw/zinc/75/66/25/561756625.db2.gz DBBZAQRWWGKFDO-HXUOFSJXSA-N 1 1 578.600 8.808 3 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449798 561759265 /nfs/dbraw/zinc/75/92/65/561759265.db2.gz UUUTYZGDRKVSOB-UIOOFZCWSA-N 1 1 603.785 5.237 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449798 561759266 /nfs/dbraw/zinc/75/92/66/561759266.db2.gz UUUTYZGDRKVSOB-UIOOFZCWSA-N 1 1 603.785 5.237 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCC[NH+]4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000024815575 561762469 /nfs/dbraw/zinc/76/24/69/561762469.db2.gz VSJXTUFWPAOYLC-UHFFFAOYSA-N 1 1 686.810 6.225 1 0 in-vitro KKAFMO CC[N@@H+](C)CCN(CCOCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000026019573 561766618 /nfs/dbraw/zinc/76/66/18/561766618.db2.gz UXBOJZYJDWUIHB-UHFFFAOYSA-N 1 1 639.769 6.634 1 0 KKAFMO C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1Cl)c1ccc2cc[nH+]c(N)c2c1 ZINC000026174730 561770626 /nfs/dbraw/zinc/77/06/26/561770626.db2.gz PZQXOASUPDYJBC-OEAKJJBVSA-N 1 1 510.978 5.124 1 0 KKAFMO COc1ccc([C@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267290 561776533 /nfs/dbraw/zinc/77/65/33/561776533.db2.gz CNORTMXIZFGKGH-QNGWXLTQSA-N 1 1 629.867 8.139 1 0 KKAFMO CCCCCS[C@H](CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)c1ccc(OC)c(OC)c1 ZINC000026275441 561778062 /nfs/dbraw/zinc/77/80/62/561778062.db2.gz JHMLCLNXGMKKNW-SSEXGKCCSA-N 1 1 515.760 7.304 1 0 KKAFMO COC(=O)[C@](CCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026282086 561779095 /nfs/dbraw/zinc/77/90/95/561779095.db2.gz LEPRSEYFDFHJBY-JGCGQSQUSA-N 1 1 565.732 6.029 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)CCOC)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026281627 561779162 /nfs/dbraw/zinc/77/91/62/561779162.db2.gz QOSCLMUNSWGKBL-UHFFFAOYSA-N 1 1 619.738 5.513 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)CCOC)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026281627 561779163 /nfs/dbraw/zinc/77/91/63/561779163.db2.gz QOSCLMUNSWGKBL-UHFFFAOYSA-N 1 1 619.738 5.513 1 0 KKAFMO CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 561792095 /nfs/dbraw/zinc/79/20/95/561792095.db2.gz BQIFXNSKBXZEIQ-CYFREDJKSA-N 1 1 517.640 5.264 1 0 KKAFMO CC[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 561792097 /nfs/dbraw/zinc/79/20/97/561792097.db2.gz BQIFXNSKBXZEIQ-CYFREDJKSA-N 1 1 517.640 5.264 1 0 KKAFMO CC[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 561792099 /nfs/dbraw/zinc/79/20/99/561792099.db2.gz BQIFXNSKBXZEIQ-CYFREDJKSA-N 1 1 517.640 5.264 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000026657580 561809599 /nfs/dbraw/zinc/80/95/99/561809599.db2.gz IDVQINSMOIOUOV-QNGWXLTQSA-N 1 1 698.953 7.332 1 0 KKAFMO Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3Cl)c2[nH+]1 ZINC000026578884 561803916 /nfs/dbraw/zinc/80/39/16/561803916.db2.gz NCUBFHKJMOQWFB-XNTDXEJSSA-N 1 1 690.628 5.760 1 0 KKAFMO CS(=O)(=O)Oc1cccc2c1CC[C@H]1[C@H]2CCC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026725103 561815813 /nfs/dbraw/zinc/81/58/13/561815813.db2.gz PRDRZXROMYANHC-YTMVLYRLSA-N 1 1 532.706 5.396 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccc(OCc6ccccc6)cc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026735673 561817368 /nfs/dbraw/zinc/81/73/68/561817368.db2.gz UWZCXFMGRUEOHE-OUDZLNJNSA-N 1 1 520.629 5.152 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3cc(C)[nH+]c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026839511 561825271 /nfs/dbraw/zinc/82/52/71/561825271.db2.gz AEDSIDNRLSIRPU-MUUNZHRXSA-N 1 1 568.077 6.111 1 0 KKAFMO CC(C)(C)c1cc([C@H]2SCC(=O)N2CCC[N@@H+](CCO)CCOc2ccc3c(c2)OCO3)cc(C(C)(C)C)c1O ZINC000026841934 561825917 /nfs/dbraw/zinc/82/59/17/561825917.db2.gz JROGEIVTQALTED-GDLZYMKVSA-N 1 1 572.768 5.053 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(F)cc(F)c2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848887 561827076 /nfs/dbraw/zinc/82/70/76/561827076.db2.gz RSRKUMMFMMRVHW-GDLZYMKVSA-N 1 1 601.525 5.552 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4nc(Cc5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027108142 561840737 /nfs/dbraw/zinc/84/07/37/561840737.db2.gz GEDJITQRLAQHEL-QFBSZDFWSA-N 1 1 543.667 5.139 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nc(NC[C@H]5CCCO5)cc[nH+]4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027109809 561841254 /nfs/dbraw/zinc/84/12/54/561841254.db2.gz KHCDCMYZOCCALQ-QEMNHKJVSA-N 1 1 627.874 7.557 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@@H](Nc4nc(NC[C@@H]5CCCO5)cc[nH+]4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185976 561842552 /nfs/dbraw/zinc/84/25/52/561842552.db2.gz YZPUERUGSPVMHC-NLFWHDTNSA-N 1 1 613.847 7.309 1 0 KKAFMO CCN(C(=O)OCc1ccccc1)C1CC[NH+](CC[C@@H](C[C@H](C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000027188264 561843019 /nfs/dbraw/zinc/84/30/19/561843019.db2.gz DUHUSDFRRFGDLW-FIBWVYCGSA-N 1 1 562.776 6.536 1 0 KKAFMO CN(Cc1c(-c2ccc(NC(=O)CCC[NH3+])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027189577 561843321 /nfs/dbraw/zinc/84/33/21/561843321.db2.gz JVBJPLUJGOISDF-UHFFFAOYSA-N 1 1 679.793 6.517 1 0 KKAFMO CCNc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027191168 561843513 /nfs/dbraw/zinc/84/35/13/561843513.db2.gz SXLJHKWLMOZNAE-UHFFFAOYSA-N 1 1 622.741 7.271 1 0 KKAFMO O=C([O-])[C@H](CC1CCC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083342 561835673 /nfs/dbraw/zinc/83/56/73/561835673.db2.gz UUQGJUFZXHHWRQ-DTXPUJKBSA-N 1 1 543.777 6.272 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](C2CCCC2)C1=O ZINC000027199256 561844808 /nfs/dbraw/zinc/84/48/08/561844808.db2.gz KKFBTFCVHZOBSO-RPLLCQBOSA-N 1 1 502.655 5.258 1 0 KKAFMO Oc1cccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCC[NH+]3CCCCC3)c(Br)c2)c1 ZINC000027207883 561846362 /nfs/dbraw/zinc/84/63/62/561846362.db2.gz KOOOMLILGZXPSD-SXOMAYOGSA-N 1 1 558.563 7.405 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(Br)cc1)c1ccc(Br)cc1)[N@H+]2C ZINC000027215915 561848409 /nfs/dbraw/zinc/84/84/09/561848409.db2.gz QJWIKJQDFYXPFY-WOZUAGRISA-N 1 1 523.265 5.342 1 0 KKAFMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027316259 561851693 /nfs/dbraw/zinc/85/16/93/561851693.db2.gz VEKTWXXOIONPMB-QZLYUDJUSA-N 1 1 617.856 5.901 1 0 KKAFMO C[N@@H+](CCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323552 561853143 /nfs/dbraw/zinc/85/31/43/561853143.db2.gz YPTNDYMMJHLBEN-UHFFFAOYSA-N 1 1 538.541 7.652 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(OC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027325559 561853435 /nfs/dbraw/zinc/85/34/35/561853435.db2.gz QQTGURBPGZKXMQ-UHFFFAOYSA-N 1 1 610.730 6.379 1 0 KKAFMO CC(=O)c1cc2cc(-c3ccc(Nc4nccc(-c5ccc(S(=O)(=O)N6CC[NH2+]CC6)cc5)n4)cc3)ccc2o1 ZINC000027411828 561856389 /nfs/dbraw/zinc/85/63/89/561856389.db2.gz SOCHNXMPMJUKLA-UHFFFAOYSA-N 1 1 553.644 5.097 1 0 KKAFMO C[C@@H](c1c[nH]c2ccccc21)[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421200 561857712 /nfs/dbraw/zinc/85/77/12/561857712.db2.gz XWGIRFFCAHGQSB-FBQARNPHSA-N 1 1 682.262 5.006 1 0 KKAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@H]1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421205 561857726 /nfs/dbraw/zinc/85/77/26/561857726.db2.gz XWGIRFFCAHGQSB-CPBPYYNTSA-N 1 1 682.262 5.006 1 0 KKAFMO COc1cc(OCC[N@@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430736 561859191 /nfs/dbraw/zinc/85/91/91/561859191.db2.gz LGXYJZXPHICFLX-SSEXGKCCSA-N 1 1 588.811 5.988 1 0 KKAFMO CCCC[C@H](CC)OC(=O)[C@H](CCSC)NC(=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1-c1ccccc1C ZINC000027441987 561860788 /nfs/dbraw/zinc/86/07/88/561860788.db2.gz NHQNXUAJLTWRDQ-SVEHJYQDSA-N 1 1 550.769 6.038 1 0 KKAFMO O[C@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CC1 ZINC000027521337 561864084 /nfs/dbraw/zinc/86/40/84/561864084.db2.gz YLHRMANAEDHAQX-NRFANRHFSA-N 1 1 596.601 5.251 1 0 KKAFMO Fc1ccc(C(OCCN2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000027524194 561865567 /nfs/dbraw/zinc/86/55/67/561865567.db2.gz NNPGQYMXSXYOPB-UHFFFAOYSA-N 1 1 578.650 6.773 1 0 KKAFMO C[C@@H]1C[N@@H+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027525006 561865923 /nfs/dbraw/zinc/86/59/23/561865923.db2.gz CBIYBJFMBUATEB-WMPKNSHKSA-N 1 1 606.704 7.550 1 0 KKAFMO C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)C[N@@H+]1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027525006 561865924 /nfs/dbraw/zinc/86/59/24/561865924.db2.gz CBIYBJFMBUATEB-WMPKNSHKSA-N 1 1 606.704 7.550 1 0 KKAFMO C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)C[N@H+]1CCOC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027525006 561865925 /nfs/dbraw/zinc/86/59/25/561865925.db2.gz CBIYBJFMBUATEB-WMPKNSHKSA-N 1 1 606.704 7.550 1 0 KKAFMO CCOc1ccc(C[NH2+][C@@H](C(=O)NCc2ccccc2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1 ZINC000027555903 561869591 /nfs/dbraw/zinc/86/95/91/561869591.db2.gz KHLNUYYTVFYRGP-UPIAJAFBSA-N 1 1 694.873 5.289 1 0 KKAFMO CC(c1ccc(S(=O)(=O)C(C)C)cc1)=C1CC[NH+](C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1 ZINC000027627587 561873350 /nfs/dbraw/zinc/87/33/50/561873350.db2.gz QNNRMNKNQDMQJI-UHFFFAOYSA-N 1 1 548.724 6.335 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccsc3)cc1)CC2 ZINC000027709643 561879449 /nfs/dbraw/zinc/87/94/49/561879449.db2.gz MPIJIUHDGCZSJS-UHFFFAOYSA-N 1 1 541.673 5.871 1 0 KKAFMO C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734544 561881682 /nfs/dbraw/zinc/88/16/82/561881682.db2.gz VLXWVBQUFMWSBK-OAQYLSRUSA-N 1 1 642.570 5.103 1 0 KKAFMO C[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027741415 561882660 /nfs/dbraw/zinc/88/26/60/561882660.db2.gz FFVMTDCXKSOZPZ-OAQYLSRUSA-N 1 1 647.670 5.239 1 0 KKAFMO OCCC[NH2+]CCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1 ZINC000027763434 561884329 /nfs/dbraw/zinc/88/43/29/561884329.db2.gz CETIZPGSFYPISD-UHFFFAOYSA-N 1 1 508.710 5.258 1 0 KKAFMO Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(O[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000027861175 561887118 /nfs/dbraw/zinc/88/71/18/561887118.db2.gz YKRAKTCUKPRIIE-VSJLXWSYSA-N 1 1 612.836 7.362 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc(-c3ccc(C(=O)N4CCc5c6ccccc6[nH]c5[C@@H]4c4ccc5c(c4)CCO5)o3)cc2)CC1 ZINC000027862948 561887274 /nfs/dbraw/zinc/88/72/74/561887274.db2.gz ARCYCGRZVAVRJW-UMSFTDKQSA-N 1 1 586.692 5.538 1 0 KKAFMO CCOC(=O)N(CC)CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 ZINC000027889326 561889745 /nfs/dbraw/zinc/88/97/45/561889745.db2.gz KNYTYCPABXXTHV-UHFFFAOYSA-N 1 1 506.647 5.278 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1C ZINC000027892867 561889948 /nfs/dbraw/zinc/88/99/48/561889948.db2.gz MHEOWLCOYSCPSS-PKTZIBPZSA-N 1 1 610.176 5.273 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1C ZINC000027892867 561889950 /nfs/dbraw/zinc/88/99/50/561889950.db2.gz MHEOWLCOYSCPSS-PKTZIBPZSA-N 1 1 610.176 5.273 1 0 KKAFMO CCn1nc(-c2cccc3ccccc32)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011321 561896335 /nfs/dbraw/zinc/89/63/35/561896335.db2.gz ABERAISYKNNXRL-PHYCXYHLSA-N 1 1 622.829 7.791 1 0 KKAFMO CCn1nc(Cc2ccc(O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015026 561897123 /nfs/dbraw/zinc/89/71/23/561897123.db2.gz DWPMZRNGNHVNJD-LEFKNYOOSA-N 1 1 576.757 5.733 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028015967 561897259 /nfs/dbraw/zinc/89/72/59/561897259.db2.gz VNPRRWYEJITHNB-LKQHQURMSA-N 1 1 560.758 6.027 1 0 KKAFMO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028021870 561898504 /nfs/dbraw/zinc/89/85/04/561898504.db2.gz DKLYXIOKIUWOPO-OQJGNAAVSA-N 1 1 632.865 7.206 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3oncc3Cc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028091538 561899953 /nfs/dbraw/zinc/89/99/53/561899953.db2.gz HSHKKXRXLZJPEI-DCMFLLSESA-N 1 1 541.736 6.194 1 0 KKAFMO CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092321 561900118 /nfs/dbraw/zinc/90/01/18/561900118.db2.gz RYJRZGRSMBZHTK-NXLXXTAESA-N 1 1 726.959 7.394 1 0 KKAFMO C[NH+]1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028101423 561901690 /nfs/dbraw/zinc/90/16/90/561901690.db2.gz YPSIHJNQRAZCEE-UHFFFAOYSA-N 1 1 636.818 6.584 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242487 561910637 /nfs/dbraw/zinc/91/06/37/561910637.db2.gz JPEORAAWSUPLJL-UHFFFAOYSA-N 1 1 644.143 7.501 1 0 KKAFMO CCOC(=O)c1ccc2nc(SCC(=O)NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 ZINC000028232598 561909374 /nfs/dbraw/zinc/90/93/74/561909374.db2.gz MUBFOUDNGKIFMW-UHFFFAOYSA-N 1 1 538.522 5.653 1 0 KKAFMO C[C@@](O)(CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235861 561909629 /nfs/dbraw/zinc/90/96/29/561909629.db2.gz JJRGEKBCROFWOB-MXUSWONHSA-N 1 1 540.695 5.633 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028235568 561909681 /nfs/dbraw/zinc/90/96/81/561909681.db2.gz YBQKEAUCKLRLLA-LXLYTFERSA-N 1 1 556.713 7.159 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@@H+]1C[C@H](C[NH+]2CCC(CC[S@@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236017 561909714 /nfs/dbraw/zinc/90/97/14/561909714.db2.gz JYYACAFJPRJWFF-YRXQBLMZSA-N 1 1 558.735 5.534 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[S@@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236017 561909715 /nfs/dbraw/zinc/90/97/15/561909715.db2.gz JYYACAFJPRJWFF-YRXQBLMZSA-N 1 1 558.735 5.534 1 0 KKAFMO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238507 561910019 /nfs/dbraw/zinc/91/00/19/561910019.db2.gz FDZAPFIWXGZZEY-UHFFFAOYSA-N 1 1 664.778 7.434 1 0 KKAFMO CC(C)(C)c1ccc(C(O)(CC[N@H+]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000028362800 561917017 /nfs/dbraw/zinc/91/70/17/561917017.db2.gz URPUPWUYXACLJH-UHFFFAOYSA-N 1 1 590.874 6.519 1 0 KKAFMO O=C1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CCC(F)(F)CC4)C3)C2)CC1 ZINC000028362490 561917051 /nfs/dbraw/zinc/91/70/51/561917051.db2.gz HFWUHIICTJEDKT-HHHXNRCGSA-N 1 1 556.525 5.418 1 0 KKAFMO O=C1CC[C@](CCN2CC([NH+]3CCC(O)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1CC1CCC(F)(F)CC1 ZINC000028369809 561918085 /nfs/dbraw/zinc/91/80/85/561918085.db2.gz CATLUVQPBGZMNF-HHHXNRCGSA-N 1 1 558.541 5.210 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(I)ccc2o1 ZINC000028378851 561919669 /nfs/dbraw/zinc/91/96/69/561919669.db2.gz OBGOWZOSTXHAGD-UHFFFAOYSA-N 1 1 572.274 5.676 1 0 KKAFMO CCNC(=O)c1ccc(C(c2ccc(S(C)(=O)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028397921 561923418 /nfs/dbraw/zinc/92/34/18/561923418.db2.gz YQSWIXMDPSMTFT-WMPKNSHKSA-N 1 1 504.652 5.062 1 0 KKAFMO CCNC(=O)c1ccc(C(c2ccc(S(C)(=O)=O)cc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccoc2)cc1 ZINC000028397921 561923419 /nfs/dbraw/zinc/92/34/19/561923419.db2.gz YQSWIXMDPSMTFT-WMPKNSHKSA-N 1 1 504.652 5.062 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028455594 561923637 /nfs/dbraw/zinc/92/36/37/561923637.db2.gz AWOAPOKTAFLQRU-YTTGMZPUSA-N 1 1 678.617 5.739 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@H+](CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000028459095 561924647 /nfs/dbraw/zinc/92/46/47/561924647.db2.gz CJNASRMXIQLUBN-UHFFFAOYSA-N 1 1 572.597 8.219 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@@H+](CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000028459095 561924648 /nfs/dbraw/zinc/92/46/48/561924648.db2.gz CJNASRMXIQLUBN-UHFFFAOYSA-N 1 1 572.597 8.219 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028468439 561926577 /nfs/dbraw/zinc/92/65/77/561926577.db2.gz ITZBNMYCADUWJP-HXUWFJFHSA-N 1 1 511.497 5.648 1 0 KKAFMO CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(OC)c(C[NH+](C)C)c2)cc1 ZINC000028470819 561927002 /nfs/dbraw/zinc/92/70/02/561927002.db2.gz BPBMYARBVVOENK-LJAQVGFWSA-N 1 1 513.682 5.695 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2ccccc21 ZINC000028474374 561927610 /nfs/dbraw/zinc/92/76/10/561927610.db2.gz HWKKZBCQXGBFOY-QFIPXVFZSA-N 1 1 510.509 6.253 1 0 KKAFMO COc1ccc2c(c1SCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028477126 561928414 /nfs/dbraw/zinc/92/84/14/561928414.db2.gz QDJFQXZBNJBBGS-RPWUZVMVSA-N 1 1 505.592 5.166 1 0 KKAFMO COc1ccc2c(c1SCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028477126 561928415 /nfs/dbraw/zinc/92/84/15/561928415.db2.gz QDJFQXZBNJBBGS-RPWUZVMVSA-N 1 1 505.592 5.166 1 0 KKAFMO COc1cc2c(cc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522555 561929539 /nfs/dbraw/zinc/92/95/39/561929539.db2.gz MVOJJKZIKGYDLT-ZRZAMGCNSA-N 1 1 520.677 5.951 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccc(F)cc4)C[C@H]23)CC1 ZINC000028572586 561940279 /nfs/dbraw/zinc/94/02/79/561940279.db2.gz BDOAKUCQOMBQGQ-DFZDUAMZSA-N 1 1 536.589 5.575 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccc(Cl)cc2)CC1 ZINC000028646192 561944738 /nfs/dbraw/zinc/94/47/38/561944738.db2.gz NJQRVTFMTFWWTH-HKBQPEDESA-N 1 1 505.150 5.422 1 0 KKAFMO CC(=O)Nc1nc([C@H](CC[N@H+]2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702737 561947189 /nfs/dbraw/zinc/94/71/89/561947189.db2.gz KOQXGZHDIQDDAK-VSBMSIFKSA-N 1 1 650.689 7.236 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702908 561947474 /nfs/dbraw/zinc/94/74/74/561947474.db2.gz AAMCCXZHVCUGJS-POGNPZRZSA-N 1 1 727.775 7.854 1 0 KKAFMO CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704014 561948121 /nfs/dbraw/zinc/94/81/21/561948121.db2.gz KURSPQDVVXDVFX-DUBVAAOESA-N 1 1 592.668 8.232 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704048 561948149 /nfs/dbraw/zinc/94/81/49/561948149.db2.gz LMCGEWVHFZFMRY-JVRHDVHHSA-N 1 1 500.580 6.326 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc(Cl)c(Cl)c4)n2C)CC3)no1 ZINC000028712475 561953035 /nfs/dbraw/zinc/95/30/35/561953035.db2.gz VVGHIMUWASPVQJ-UHFFFAOYSA-N 1 1 528.509 6.335 1 0 KKAFMO CCC[N@@H+]1C[C@H]2C(Cl)=C(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)S[C@@H]2C1 ZINC000028713128 561953737 /nfs/dbraw/zinc/95/37/37/561953737.db2.gz PWXYVVOGSGGNIT-IEBWSBKVSA-N 1 1 510.874 6.092 1 0 KKAFMO C[C@@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816501 561964209 /nfs/dbraw/zinc/96/42/09/561964209.db2.gz ZVFYYUNCJRTCOQ-RMXYQJDTSA-N 1 1 546.133 5.177 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc4nn[nH]c4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823040 561967726 /nfs/dbraw/zinc/96/77/26/561967726.db2.gz UJMDOABXIASWGO-JOCHJYFZSA-N 1 1 632.706 6.791 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2ccc4[nH]nnc4c2)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823040 561967728 /nfs/dbraw/zinc/96/77/28/561967728.db2.gz UJMDOABXIASWGO-JOCHJYFZSA-N 1 1 632.706 6.791 1 0 KKAFMO COc1ccccc1N1CCN(CCc2cccc(OCCOCCOc3cccc(CC[NH+]4CCN(c5ccccc5OC)CC4)c3)c2)CC1 ZINC000028873155 561974666 /nfs/dbraw/zinc/97/46/66/561974666.db2.gz SUSCQNVRTVBUTE-UHFFFAOYSA-N 1 1 694.917 5.908 1 0 KKAFMO O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1ccc(c(N3CCCC3)[nH+]1)CCCn1cc2c2ccccc21 ZINC000028881980 561977088 /nfs/dbraw/zinc/97/70/88/561977088.db2.gz YFLNNYYLWMIKLH-UHFFFAOYSA-N 1 1 555.682 5.737 1 0 KKAFMO CN(C)c1[nH+]c2ccc1CCCn1cc(c3ccccc31)C1=C(c3cn(c4ccccc34)CCC2)C(=O)NC1=O ZINC000028882003 561977103 /nfs/dbraw/zinc/97/71/03/561977103.db2.gz RBUVCVIKSPNSSA-UHFFFAOYSA-N 1 1 529.644 5.203 1 0 KKAFMO CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@H](C)c3ccco3)sc21 ZINC000028901683 561980053 /nfs/dbraw/zinc/98/00/53/561980053.db2.gz UNYJGAONQYGWJT-SFHVURJKSA-N 1 1 512.075 5.885 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(Cc3ccco3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975423 561986547 /nfs/dbraw/zinc/98/65/47/561986547.db2.gz XDFZDZYPEKUXKO-NLJOTIRTSA-N 1 1 567.731 5.353 1 0 KKAFMO Nc1ncnc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029037303 561988483 /nfs/dbraw/zinc/98/84/83/561988483.db2.gz ZITKIWQPLLVEKI-UHFFFAOYSA-N 1 1 529.623 6.336 1 0 KKAFMO CC(C)CC[N@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000029038674 561989193 /nfs/dbraw/zinc/98/91/93/561989193.db2.gz IJWOVXYTICBRTE-QFZWGZQFSA-N 1 1 550.545 5.051 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 ZINC000029040086 561990420 /nfs/dbraw/zinc/99/04/20/561990420.db2.gz UWBHMEUINMIHQE-XRQHJSPUSA-N 1 1 564.614 7.453 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000029043000 561991760 /nfs/dbraw/zinc/99/17/60/561991760.db2.gz PNFDTYPRKXTXAO-NHKHRBQYSA-N 1 1 592.146 7.166 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049049 561993850 /nfs/dbraw/zinc/99/38/50/561993850.db2.gz JHONDIIBGVDWQF-IGYGKHONSA-N 1 1 539.079 6.669 1 0 KKAFMO CCCn1c2cc(-c3ccc(OCC(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3)[nH]c2c(=O)n(CCC)c1=O ZINC000029059296 561995546 /nfs/dbraw/zinc/99/55/46/561995546.db2.gz WSKCJGRELCVAAA-UHFFFAOYSA-N 1 1 619.766 5.291 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(C)(C)C)oc5cc4CC3)n2C)n1 ZINC000029127367 561999888 /nfs/dbraw/zinc/99/98/88/561999888.db2.gz IOJIPFCHEXMFMJ-UHFFFAOYSA-N 1 1 540.737 6.360 1 0 KKAFMO CCOc1ccc(-n2cc(-c3ccccc3)nc2[C@@H](C)N(C[C@H]2CCC[N@H+]2C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000029130020 562002283 /nfs/dbraw/zinc/00/22/83/562002283.db2.gz DHCDUDRKAXLPJS-YIXXDRMTSA-N 1 1 608.680 7.322 1 0 KKAFMO CN(CCC[N@@H+](C)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4sccc4cc(c32)C1=O ZINC000029205333 562005081 /nfs/dbraw/zinc/00/50/81/562005081.db2.gz YGTRQVAACOTRKH-UHFFFAOYSA-N 1 1 660.821 6.568 1 0 KKAFMO CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@H]([NH3+])C(C)C)c1=O ZINC000029233820 562009529 /nfs/dbraw/zinc/00/95/29/562009529.db2.gz GBJKRPKDDDAEQA-XMMPIXPASA-N 1 1 501.410 5.218 1 0 KKAFMO C[C@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)c1cccc2ccccc21 ZINC000029345439 562016076 /nfs/dbraw/zinc/01/60/76/562016076.db2.gz RQBRFHPFNHJPAG-ORPCDBMOSA-N 1 1 643.637 5.195 1 0 KKAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345912 562016244 /nfs/dbraw/zinc/01/62/44/562016244.db2.gz BHGNIOZAEHGIME-GWBOUZQDSA-N 1 1 700.969 5.158 1 0 KKAFMO C[N@@H+](C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc2ccccc2n1)[C@@H](CC1CCCCC1)C(=O)NC(C)(C)C ZINC000029347144 562016466 /nfs/dbraw/zinc/01/64/66/562016466.db2.gz AQSULLWEJRPAKF-JWPIOKHMSA-N 1 1 697.965 6.187 1 0 KKAFMO CCN(CC)C(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CC[N@@H+](C)CCCCc3ccncc3)c2c1 ZINC000029412048 562021951 /nfs/dbraw/zinc/02/19/51/562021951.db2.gz NWMBZFJQNYWCNU-UHFFFAOYSA-N 1 1 510.726 6.826 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466634 562024461 /nfs/dbraw/zinc/02/44/61/562024461.db2.gz MRONPHMQIPIYRP-NTHYAODUSA-N 1 1 724.002 5.103 1 0 KKAFMO COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(C[NH2+]Cc4ccccc4)n3c2=O)c1 ZINC000029473316 562025903 /nfs/dbraw/zinc/02/59/03/562025903.db2.gz SBIRIYYEUHHGEN-UHFFFAOYSA-N 1 1 538.667 6.255 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(C)CC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029483519 562027863 /nfs/dbraw/zinc/02/78/63/562027863.db2.gz QKIXWDUWIQVUPK-ZPGRZCPFSA-N 1 1 626.886 5.911 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC[NH+]1CCCCC1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000029486058 562028347 /nfs/dbraw/zinc/02/83/47/562028347.db2.gz GGHNBTBENUTEQV-UWXQCODUSA-N 1 1 654.940 6.739 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559042 562032652 /nfs/dbraw/zinc/03/26/52/562032652.db2.gz IKLCHMLRANLYKN-YTTGMZPUSA-N 1 1 578.731 5.824 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000034553524 562039140 /nfs/dbraw/zinc/03/91/40/562039140.db2.gz KYXXZGFCBQFNOQ-UHFFFAOYSA-N 1 1 508.449 5.537 1 0 KKAFMO CC[N@H+]1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871333 562036620 /nfs/dbraw/zinc/03/66/20/562036620.db2.gz HKSABFMJANGSMM-CWTKIQHKSA-N 1 1 521.657 7.300 1 0 KKAFMO C[C@@H](O)[C@@H](CC[N@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804359 562043221 /nfs/dbraw/zinc/04/32/21/562043221.db2.gz LRBSYXWKXPQNJU-TUGGSVRZSA-N 1 1 554.575 6.034 1 0 KKAFMO FC(F)(F)c1cc(COC[C@@]2(c3ccccc3)CCC[N@@H+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000035975231 562046043 /nfs/dbraw/zinc/04/60/43/562046043.db2.gz PURFDWJJUPRHOS-HHHXNRCGSA-N 1 1 521.545 7.865 1 0 KKAFMO CC[C@@H](C)[C@H]([NH2+]CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285601 562054311 /nfs/dbraw/zinc/05/43/11/562054311.db2.gz HXYRJQCIJOWCGS-DWXRJYCRSA-N 1 1 559.504 5.929 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2sc(-c3ccc(NC(=O)NC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331618 562056776 /nfs/dbraw/zinc/05/67/76/562056776.db2.gz IIOJPEKGTYQKJM-UHFFFAOYSA-N 1 1 612.727 6.477 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2sc(-c3ccc(NC(=O)NC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331618 562056777 /nfs/dbraw/zinc/05/67/77/562056777.db2.gz IIOJPEKGTYQKJM-UHFFFAOYSA-N 1 1 612.727 6.477 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)cc1)c1ccccc1 ZINC000036338409 562056968 /nfs/dbraw/zinc/05/69/68/562056968.db2.gz UKXFQNNXQPKCRG-AHWVRZQESA-N 1 1 516.605 5.248 1 0 KKAFMO CC(=O)CCCCC[C@H](NC(=O)C[NH+]1CCCCC1)C(=O)NCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000036338708 562057126 /nfs/dbraw/zinc/05/71/26/562057126.db2.gz LJZZSUGXANUQAO-LJAQVGFWSA-N 1 1 530.713 5.004 1 0 KKAFMO CCCC[N@H+]1CC[C@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351499 562058463 /nfs/dbraw/zinc/05/84/63/562058463.db2.gz UTAPFVCSIYSFAD-UIOOFZCWSA-N 1 1 530.635 5.445 1 0 KKAFMO COc1ccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351515 562058556 /nfs/dbraw/zinc/05/85/56/562058556.db2.gz HJNSJDPMBGSSML-OROMBRFGSA-N 1 1 548.625 5.445 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(NC(=O)C5CC5)c4)C[C@H]23)CC1 ZINC000036351599 562058669 /nfs/dbraw/zinc/05/86/69/562058669.db2.gz LYKBDAXLAVPDQQ-IWGZPIKUSA-N 1 1 568.137 5.419 1 0 KKAFMO CC(C)C[N@@H+](C)[C@@H]1CCN(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000036351689 562058950 /nfs/dbraw/zinc/05/89/50/562058950.db2.gz VPJWRIXCORVLEO-FTJBHMTQSA-N 1 1 530.635 5.301 1 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000036388429 562060343 /nfs/dbraw/zinc/06/03/43/562060343.db2.gz OFSNSRZUEWQAFB-RXVVDRJESA-N 1 1 525.642 5.398 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCC[NH+]4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 ZINC000036758584 562061432 /nfs/dbraw/zinc/06/14/32/562061432.db2.gz YOVKYZJMWCAPJA-UHFFFAOYSA-N 1 1 656.784 6.216 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)n2)c(OC)c1 ZINC000036758573 562061490 /nfs/dbraw/zinc/06/14/90/562061490.db2.gz PELUCDAGCYAICS-UHFFFAOYSA-N 1 1 612.731 5.818 1 0 KKAFMO COc1cc(OC)c([C@@H](CC[N@H+]2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000038141587 562063312 /nfs/dbraw/zinc/06/33/12/562063312.db2.gz RCSPFHBAQYBMER-URXFXBBRSA-N 1 1 541.644 6.460 3 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147765 562065558 /nfs/dbraw/zinc/06/55/58/562065558.db2.gz VXHFPPDFIQWUIM-IYMBJGSBSA-N 1 1 550.787 7.154 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)C[C@@H](C)c2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000038148485 562065769 /nfs/dbraw/zinc/06/57/69/562065769.db2.gz IGSKGZICNGWZMH-APYJYERMSA-N 1 1 564.748 6.764 1 0 KKAFMO CC(C)CC[N@H+]1[C@H](C)CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150642 562066439 /nfs/dbraw/zinc/06/64/39/562066439.db2.gz KQBOOGKXOGILHG-UIUQJESISA-N 1 1 536.713 5.564 1 0 KKAFMO CC(C)CC[N@H+]1[C@H](C)CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150640 562066470 /nfs/dbraw/zinc/06/64/70/562066470.db2.gz KQBOOGKXOGILHG-KEKPKEOLSA-N 1 1 536.713 5.564 1 0 KKAFMO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1 ZINC000038157238 562068614 /nfs/dbraw/zinc/06/86/14/562068614.db2.gz FJGKVFWXFGAENH-BWKNWUBXSA-N 1 1 559.585 5.799 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157514 562069295 /nfs/dbraw/zinc/06/92/95/562069295.db2.gz VLRKCLYSNVDLNZ-KCWXNJEJSA-N 1 1 572.768 5.052 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040409666 562075223 /nfs/dbraw/zinc/07/52/23/562075223.db2.gz FSYXVLMRBONNFA-ZRZAMGCNSA-N 1 1 513.657 5.410 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)N3CCC(C(=O)c4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040409666 562075224 /nfs/dbraw/zinc/07/52/24/562075224.db2.gz FSYXVLMRBONNFA-ZRZAMGCNSA-N 1 1 513.657 5.410 1 0 KKAFMO Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(C[N@H+](C)C5CCCCC5)ccc4n3CC(C)(C)O)s2)o1 ZINC000040431175 562076851 /nfs/dbraw/zinc/07/68/51/562076851.db2.gz VZWIFOMPMPZKRT-UHFFFAOYSA-N 1 1 521.687 5.849 1 0 KKAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](OC)C4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000040430778 562076871 /nfs/dbraw/zinc/07/68/71/562076871.db2.gz WOMWTCFFKLQKJG-NRFANRHFSA-N 1 1 512.054 5.124 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000040873295 562081662 /nfs/dbraw/zinc/08/16/62/562081662.db2.gz VJJXLWBGITZECT-RUZDIDTESA-N 1 1 522.049 5.424 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](c1ccccc1NCCOc1ccccc1)[N@@H+](CCOc1ccccc1)CC2 ZINC000040894608 562082982 /nfs/dbraw/zinc/08/29/82/562082982.db2.gz YVKMEOMVEXNHNK-MGBGTMOVSA-N 1 1 524.661 6.221 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCC[C@@H](C[C@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040897027 562083173 /nfs/dbraw/zinc/08/31/73/562083173.db2.gz VEPNEHUJRMVZLF-SVEHJYQDSA-N 1 1 501.715 5.668 1 0 KKAFMO CCCCN1CN(c2ccccc2)C2(CC[NH+](C(c3ccccc3Cl)c3ccccc3Cl)CC2)C1=O ZINC000040913403 562083641 /nfs/dbraw/zinc/08/36/41/562083641.db2.gz LDOWXIWCYWICLF-UHFFFAOYSA-N 1 1 522.520 7.024 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[NH2+][C@@H]4C2)CCN1C ZINC000042804937 562088966 /nfs/dbraw/zinc/08/89/66/562088966.db2.gz REKCBEFSIKOPTD-VSGBNLITSA-N 1 1 594.708 6.517 1 0 KKAFMO COc1cccc(CCN(Cc2ccccc2-c2ccc(C[N@H+]3C[C@@H](C)N[C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 ZINC000042807392 562090222 /nfs/dbraw/zinc/09/02/22/562090222.db2.gz GNURRCJPQXKFTN-HNRBIFIRSA-N 1 1 568.806 6.631 1 0 KKAFMO COc1cccc(CCN(Cc2ccccc2-c2ccc(C[N@@H+]3C[C@@H](C)N[C@@H](C)C3)cc2)C(=O)NC2CCCCC2)c1 ZINC000042807392 562090223 /nfs/dbraw/zinc/09/02/23/562090223.db2.gz GNURRCJPQXKFTN-HNRBIFIRSA-N 1 1 568.806 6.631 1 0 KKAFMO COc1ccc2c(c1)[C@H](OCCc1cc[nH+]c(N)c1)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC)cc3[C@H]1O)CO2 ZINC000085592968 560065455 /nfs/dbraw/zinc/06/54/55/560065455.db2.gz PDHQLXDZWWKIDB-FVYOSNSJSA-N 1 1 584.669 5.029 1 0 biogenic,in-vitro KKAFMO CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c2)CC1 ZINC000085631955 560067768 /nfs/dbraw/zinc/06/77/68/560067768.db2.gz CMDJBVMBWNJWON-RGSBFRPPSA-N 1 1 578.774 5.291 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000085541065 560071621 /nfs/dbraw/zinc/07/16/21/560071621.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 1 1 576.693 6.831 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000085541065 560071622 /nfs/dbraw/zinc/07/16/22/560071622.db2.gz DQIJJKSVYLLDQW-IZLXSDGUSA-N 1 1 576.693 6.831 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@@H]5C=CC[C@@H](C6CCCC6)C5)[N@@H+]4C3)[C@H]2[C@@H]1C ZINC000085532397 560072893 /nfs/dbraw/zinc/07/28/93/560072893.db2.gz KVFYGQYKYSDTHU-FQXSKLSCSA-N 1 1 533.709 5.768 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)[N@@H+]34 ZINC000085532243 560073004 /nfs/dbraw/zinc/07/30/04/560073004.db2.gz BPZAHPOKOLMCOI-HVOKOLJKSA-N 1 1 507.671 5.354 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)[N@@H+]31 ZINC000085511844 560073757 /nfs/dbraw/zinc/07/37/57/560073757.db2.gz JEJLGHMYBHWNKG-DKINLHKDSA-N 1 1 521.654 5.629 1 0 biogenic,in-vitro KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2o1 ZINC000044031917 562651682 /nfs/dbraw/zinc/65/16/82/562651682.db2.gz FNCWUZADAIADLQ-UHFFFAOYSA-N 1 1 525.274 5.834 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087062 562652294 /nfs/dbraw/zinc/65/22/94/562652294.db2.gz ZIDJCKAKCGREPA-UASRBLEQSA-N 1 1 608.151 5.988 1 0 KKAFMO CC(C)C[N@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc32)ncn1 ZINC000044351243 562654515 /nfs/dbraw/zinc/65/45/15/562654515.db2.gz XVWRWBMMOYPTHB-KRWDZBQOSA-N 1 1 568.604 5.091 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CC[C@H](C)[N@@H+]3CC(C)C)ncn2)s1 ZINC000044352525 562655197 /nfs/dbraw/zinc/65/51/97/562655197.db2.gz QSMKDSHSYVNTOC-SBUREZEXSA-N 1 1 612.678 6.970 1 0 KKAFMO COc1cccc(C2CCN(CC[NH+]3CCC(NC(=O)c4ccc(-c5ccc(Cl)cc5)cc4)CC3)CC2)c1 ZINC000045167135 562658007 /nfs/dbraw/zinc/65/80/07/562658007.db2.gz IDINOJQYORVIHD-UHFFFAOYSA-N 1 1 532.128 6.089 1 0 KKAFMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168552 562658177 /nfs/dbraw/zinc/65/81/77/562658177.db2.gz HFFFPBHPXGOZNK-FQEVSTJZSA-N 1 1 500.630 6.983 1 0 KKAFMO O=S(=O)(Nc1cccc(CCN2CCC([NH+]3CCCCC3)CC2)c1)c1ccc(Oc2ccccc2)nc1 ZINC000045188401 562658317 /nfs/dbraw/zinc/65/83/17/562658317.db2.gz OCWXLJILXRLNDX-UHFFFAOYSA-N 1 1 520.699 5.168 1 0 KKAFMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000045192748 562658657 /nfs/dbraw/zinc/65/86/57/562658657.db2.gz PBQOZONHVMYAOY-UHFFFAOYSA-N 1 1 512.437 5.365 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCOc1ccc2c(c1)N(C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)CC2 ZINC000045194418 562658801 /nfs/dbraw/zinc/65/88/01/562658801.db2.gz JEKVQPPGDATBBV-IBGZPJMESA-N 1 1 512.370 5.926 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000045202478 562659165 /nfs/dbraw/zinc/65/91/65/562659165.db2.gz WFNFMOWNXHUUAF-BNCSFYMNSA-N 1 1 506.449 5.783 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000045209765 562659230 /nfs/dbraw/zinc/65/92/30/562659230.db2.gz KVVPFQGDXRKBEP-KPURRNSFSA-N 1 1 528.524 5.449 1 0 KKAFMO O=C(C=Cc1c(Cl)cccc1Cl)NC1CCC(C[NH+]2CCC(c3c[nH]c4ccncc34)CC2)CC1 ZINC000045228582 562659545 /nfs/dbraw/zinc/65/95/45/562659545.db2.gz WCSVJXQOTYICON-CMDGGOBGSA-N 1 1 511.497 6.438 1 0 KKAFMO Cc1ncccc1-c1cccc2c(NC(=O)Nc3ccc4[nH+]ccc(N5CCN(C)CC5)c4c3)cccc21 ZINC000045231175 562659704 /nfs/dbraw/zinc/65/97/04/562659704.db2.gz XXKMOOKLEQVXIX-UHFFFAOYSA-N 1 1 502.622 6.154 1 0 KKAFMO O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3cccc(Cl)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323447 562661152 /nfs/dbraw/zinc/66/11/52/562661152.db2.gz LIXGLNMGABGNOR-UHFFFAOYSA-N 1 1 502.873 6.607 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323447 562661153 /nfs/dbraw/zinc/66/11/53/562661153.db2.gz LIXGLNMGABGNOR-UHFFFAOYSA-N 1 1 502.873 6.607 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3cccc(Cl)c3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045323447 562661154 /nfs/dbraw/zinc/66/11/54/562661154.db2.gz LIXGLNMGABGNOR-UHFFFAOYSA-N 1 1 502.873 6.607 1 0 KKAFMO O=C(NCc1cccnc1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045335132 562661337 /nfs/dbraw/zinc/66/13/37/562661337.db2.gz PJMJHPZVQONGOY-YTTGMZPUSA-N 1 1 516.645 5.593 1 0 KKAFMO CC(C)(C[NH2+]Cc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000045335870 562661384 /nfs/dbraw/zinc/66/13/84/562661384.db2.gz HDZBPHRBCSQKJA-UHFFFAOYSA-N 1 1 516.951 6.464 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2cccc(C(F)(F)F)c2)[nH+]c2ccccn21 ZINC000045370870 562662235 /nfs/dbraw/zinc/66/22/35/562662235.db2.gz PEHQJRMXGWWBGM-UHFFFAOYSA-N 1 1 509.572 7.866 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(C)cc4[nH]3)s2)CC1 ZINC000048308880 562663169 /nfs/dbraw/zinc/66/31/69/562663169.db2.gz SXBMYVYETIFOHH-UHFFFAOYSA-N 1 1 558.535 5.857 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049047280 562663698 /nfs/dbraw/zinc/66/36/98/562663698.db2.gz BAXPFBZZMCCNTO-UHFFFAOYSA-N 1 1 506.922 6.887 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049047280 562663699 /nfs/dbraw/zinc/66/36/99/562663699.db2.gz BAXPFBZZMCCNTO-UHFFFAOYSA-N 1 1 506.922 6.887 1 0 KKAFMO CCCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000049051180 562663794 /nfs/dbraw/zinc/66/37/94/562663794.db2.gz UHKJTWIDEKDMCF-UHFFFAOYSA-N 1 1 503.012 7.525 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1CC(C)C ZINC000049066729 562663920 /nfs/dbraw/zinc/66/39/20/562663920.db2.gz UGVUMCKWYHNQJG-UHFFFAOYSA-N 1 1 527.540 6.368 1 0 KKAFMO Cc1cc2[nH]nc(C=Cc3cccc(NC(=O)N4CC[NH+](C)CC4)c3)c2cc1NC(=O)Cc1cccs1 ZINC000049113248 562664669 /nfs/dbraw/zinc/66/46/69/562664669.db2.gz OUEYXPDIZLXCBG-CMDGGOBGSA-N 1 1 514.655 5.064 1 0 KKAFMO CCn1cncc1[C@@]([NH2+]C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049115045 562664707 /nfs/dbraw/zinc/66/47/07/562664707.db2.gz VRGIJWMQZSGVFK-GDLZYMKVSA-N 1 1 517.460 6.240 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCc2ccc(NC(=O)Cc3ccc4nc(-c5ccccc5)ccc4c3)cc2)cc1OC ZINC000049605072 562665272 /nfs/dbraw/zinc/66/52/72/562665272.db2.gz LZCNVRVPKWTKJA-UHFFFAOYSA-N 1 1 559.710 7.165 1 0 KKAFMO O=C(NCC1CC[NH+](CCN2CCC(c3cn(CCO)c4ccccc34)CC2)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605149 562665395 /nfs/dbraw/zinc/66/53/95/562665395.db2.gz OFVNYTGJWKIYFM-UHFFFAOYSA-N 1 1 632.771 6.641 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(I)c(O[C@@H]3CC[N@H+](C)C3)c2)C1 ZINC000049605255 562665542 /nfs/dbraw/zinc/66/55/42/562665542.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 1 1 674.649 5.124 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(I)c(O[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000049605255 562665543 /nfs/dbraw/zinc/66/55/43/562665543.db2.gz DQVCKJWIKFWCDB-GSLIJJQTSA-N 1 1 674.649 5.124 1 0 KKAFMO O=c1cc(NCCC[NH+](Cc2cc3c(cc(Cl)cc3Cl)[nH]2)Cc2cc3c(cc(Cl)cc3Cl)[nH]2)[nH]c2ccccc12 ZINC000049605235 562665561 /nfs/dbraw/zinc/66/55/61/562665561.db2.gz KVPTZMBEVXKPHQ-UHFFFAOYSA-N 1 1 613.376 8.609 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@H](NC(=O)c2sc3ccccc3c2Cl)C1 ZINC000049605425 562665859 /nfs/dbraw/zinc/66/58/59/562665859.db2.gz NFKIBYINFWGIMG-JARZOMNASA-N 1 1 564.966 6.666 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2cnc(NCC[C@@H]3CCC[N@H+]3C)nc21 ZINC000049605602 562666108 /nfs/dbraw/zinc/66/61/08/562666108.db2.gz GIMUQLCVOVKVCW-IBGZPJMESA-N 1 1 556.568 5.728 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[NH+](C)CC2)[N@@H+](C)CC4 ZINC000049605689 562666246 /nfs/dbraw/zinc/66/62/46/562666246.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 1 1 698.860 8.733 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049605689 562666247 /nfs/dbraw/zinc/66/62/47/562666247.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 1 1 698.860 8.733 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049605689 562666248 /nfs/dbraw/zinc/66/62/48/562666248.db2.gz IJHJUXHIEFZHAS-MPQUPPDSSA-N 1 1 698.860 8.733 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@@H](CCCNC(=O)c2ccc3c(c2)OCO3)C1 ZINC000049614021 562666550 /nfs/dbraw/zinc/66/65/50/562666550.db2.gz JBRADNIHEDHWFN-LEBWJFOGSA-N 1 1 574.549 5.944 1 0 KKAFMO CCN(CC)C(=O)Nc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(CC[N@@H+](CC)CCO)c3)n2)cc1 ZINC000049625519 562666764 /nfs/dbraw/zinc/66/67/64/562666764.db2.gz MSLVYACEALOUHZ-UHFFFAOYSA-N 1 1 592.748 5.932 1 0 KKAFMO CC(=O)Nc1ccc(C[N@H+]2CCc3ccc(NS(=O)(=O)c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3CC2)s1 ZINC000049625699 562666826 /nfs/dbraw/zinc/66/68/26/562666826.db2.gz VJWRKIPITVFNSA-UHFFFAOYSA-N 1 1 599.700 6.794 1 0 KKAFMO CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000049626071 562666981 /nfs/dbraw/zinc/66/69/81/562666981.db2.gz PZRLSTYDZTVVBR-XAJSROBASA-N 1 1 584.717 5.002 1 0 KKAFMO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1F)[C@H]1CC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049626118 562666983 /nfs/dbraw/zinc/66/69/83/562666983.db2.gz VETFHEGTSRZEPN-YNGPXCDWSA-N 1 1 600.484 6.697 1 0 KKAFMO CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1F)[C@@H]1CC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049626115 562667016 /nfs/dbraw/zinc/66/70/16/562667016.db2.gz VETFHEGTSRZEPN-WSQJUEJXSA-N 1 1 600.484 6.697 1 0 KKAFMO CCOc1cc(C)ccc1C1CC[NH+](CCN2CCC(CNC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)CC2)CC1 ZINC000049626742 562667298 /nfs/dbraw/zinc/66/72/98/562667298.db2.gz VTMPSGUOIJHTDE-UHFFFAOYSA-N 1 1 607.761 7.401 1 0 KKAFMO O=c1cc(NCC[C@H](CNCc2cc3ccccc3o2)[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049626737 562667321 /nfs/dbraw/zinc/66/73/21/562667321.db2.gz SDROXRZCBIRXDT-HSZRJFAPSA-N 1 1 624.377 6.550 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000049626965 562667468 /nfs/dbraw/zinc/66/74/68/562667468.db2.gz PMBJWUZQJIXPBK-OAQYLSRUSA-N 1 1 537.648 5.528 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049639957 562667831 /nfs/dbraw/zinc/66/78/31/562667831.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 1 1 734.293 8.781 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049639957 562667832 /nfs/dbraw/zinc/66/78/32/562667832.db2.gz FTTRBURLSJZHNY-SZAHLOSFSA-N 1 1 734.293 8.781 1 0 KKAFMO COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[N@@H+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1 ZINC000049639918 562667849 /nfs/dbraw/zinc/66/78/49/562667849.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 1 1 742.869 8.382 1 0 KKAFMO COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CC[N@H+]2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1 ZINC000049639918 562667850 /nfs/dbraw/zinc/66/78/50/562667850.db2.gz JHQWLEOVLPIFJB-MPQUPPDSSA-N 1 1 742.869 8.382 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049650158 562668021 /nfs/dbraw/zinc/66/80/21/562668021.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 1 1 712.843 8.373 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049650158 562668022 /nfs/dbraw/zinc/66/80/22/562668022.db2.gz TZRXPXPPFOSECH-OIDHKYIRSA-N 1 1 712.843 8.373 1 0 KKAFMO CCC(=O)Nc1ccc2[nH+]ccc(Nc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4)c3)c2c1 ZINC000049677911 562668386 /nfs/dbraw/zinc/66/83/86/562668386.db2.gz NOYDIAJXEFJPNS-UHFFFAOYSA-N 1 1 561.690 7.763 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000049694838 562669850 /nfs/dbraw/zinc/66/98/50/562669850.db2.gz UPMQYWQRMYEQLV-ZOYWYXQUSA-N 1 1 582.712 6.188 1 0 KKAFMO C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000049694838 562669851 /nfs/dbraw/zinc/66/98/51/562669851.db2.gz UPMQYWQRMYEQLV-ZOYWYXQUSA-N 1 1 582.712 6.188 1 0 KKAFMO C[NH+](C)CCN1C(=O)c2cccc3c(N4CCN(CC=C(c5ccccc5)c5ccccc5)CC4)ccc(c32)C1=O ZINC000049695139 562670218 /nfs/dbraw/zinc/67/02/18/562670218.db2.gz UYUDUKVVIMLPSM-UHFFFAOYSA-N 1 1 544.699 5.251 1 0 KKAFMO CC(=O)c1ccc2cc(C(=O)NC3CCC(CC[N@H+]4CCc5ccc(-c6noc(C)n6)cc5CC4)CC3)[nH]c2c1 ZINC000049710558 562671715 /nfs/dbraw/zinc/67/17/15/562671715.db2.gz CCRMTYXNQVMADU-UHFFFAOYSA-N 1 1 539.680 5.508 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711029 562671946 /nfs/dbraw/zinc/67/19/46/562671946.db2.gz NKILNBZJPOZQEA-MNNSJKJDSA-N 1 1 595.628 6.179 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049722598 562672265 /nfs/dbraw/zinc/67/22/65/562672265.db2.gz QBCBCLXHVIYSNK-ZJJOJAIXSA-N 1 1 644.728 5.594 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049723014 562672792 /nfs/dbraw/zinc/67/27/92/562672792.db2.gz ZXGPPVLESGLDOR-FNORWQNLSA-N 1 1 558.337 6.450 1 0 KKAFMO Cc1ccc(C(OC[C@H](O)CN2CCC[N@@H+](C[C@@H](O)COC(c3ccc(C)cc3)c3ccc(C)cc3)CC2)c2ccc(C)cc2)cc1 ZINC000049723217 562673082 /nfs/dbraw/zinc/67/30/82/562673082.db2.gz XQCPRRIYLNZGGI-LJEWAXOPSA-N 1 1 636.877 6.562 1 0 KKAFMO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745243 562673770 /nfs/dbraw/zinc/67/37/70/562673770.db2.gz GUNSFAQQGCFKPF-BVSLBCMMSA-N 1 1 539.454 5.558 1 0 KKAFMO COc1ccc(C(=O)NCC(C)(C)c2nc(-c3ccc(Cl)c(O)c3)c(-c3ccncc3)[nH]2)cc1OCC[NH+](C(C)C)C(C)C ZINC000049745433 562673854 /nfs/dbraw/zinc/67/38/54/562673854.db2.gz VZAASWLJBLSEAL-UHFFFAOYSA-N 1 1 620.194 6.712 1 0 KKAFMO C[N@H+]1CCC[C@H]1COc1ccc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Br ZINC000049745521 562673883 /nfs/dbraw/zinc/67/38/83/562673883.db2.gz FINDMJQRIKOCHP-OALUTQOASA-N 1 1 541.317 5.233 1 0 KKAFMO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746085 562674272 /nfs/dbraw/zinc/67/42/72/562674272.db2.gz YCICRBGKZHPFJT-BNHRFMORSA-N 1 1 548.127 5.705 1 0 KKAFMO COc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000049746085 562674273 /nfs/dbraw/zinc/67/42/73/562674273.db2.gz YCICRBGKZHPFJT-BNHRFMORSA-N 1 1 548.127 5.705 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2N(C)c1ccc(-c2nc3ccccc3s2)c(OC)c1 ZINC000049756916 562675305 /nfs/dbraw/zinc/67/53/05/562675305.db2.gz NSXLLHJZQNFGCH-UHFFFAOYSA-N 1 1 584.746 5.708 1 0 KKAFMO CC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049767797 562677722 /nfs/dbraw/zinc/67/77/22/562677722.db2.gz NEHUYZJMIALMLY-DWACAAAGSA-N 1 1 543.565 5.643 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@H]4C[C@@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774623 562678656 /nfs/dbraw/zinc/67/86/56/562678656.db2.gz VUFRFPUOFHXBBM-HRFSGMKKSA-N 1 1 534.527 5.857 1 0 KKAFMO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778357 562681232 /nfs/dbraw/zinc/68/12/32/562681232.db2.gz HEILVIDOVAHKRM-CKOYEXALSA-N 1 1 648.267 5.183 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(NC(=O)NCc3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000049780040 562681269 /nfs/dbraw/zinc/68/12/69/562681269.db2.gz POAHYXZXLSZBDG-UHFFFAOYSA-N 1 1 727.837 8.161 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(C)cc5)nc(-c5ccc(C)cc5)c4)CC3)CC2)CC1 ZINC000049781412 562683054 /nfs/dbraw/zinc/68/30/54/562683054.db2.gz YZIRPGUREXXEJC-UHFFFAOYSA-N 1 1 607.799 5.040 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@](CNC(=O)C2=C(c3ccccc3)C(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049783629 562683169 /nfs/dbraw/zinc/68/31/69/562683169.db2.gz QAUHOCBYVZPIDF-HUESYALOSA-N 1 1 701.949 7.402 1 0 KKAFMO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C[C@H]2CCC[N@H+]2C(C)C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793745 562685118 /nfs/dbraw/zinc/68/51/18/562685118.db2.gz NWQJFPWWHYXJHA-RCZVLFRGSA-N 1 1 639.694 6.342 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[NH+]5CCN(CC)CC5)cc43)ccc2s1 ZINC000049807909 562686555 /nfs/dbraw/zinc/68/65/55/562686555.db2.gz OPNQRXYNYMDNRJ-UHFFFAOYSA-N 1 1 549.697 5.180 1 0 KKAFMO CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000049841425 562688357 /nfs/dbraw/zinc/68/83/57/562688357.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 1 1 708.896 8.349 1 0 KKAFMO CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000049841425 562688358 /nfs/dbraw/zinc/68/83/58/562688358.db2.gz MHFFPFLMIZYTNJ-OIDHKYIRSA-N 1 1 708.896 8.349 1 0 KKAFMO CCc1nc(Cc2ccccc2)sc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC(C)C)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000049867726 562689601 /nfs/dbraw/zinc/68/96/01/562689601.db2.gz AKDBQZUOKGFQSF-ILJQZKEFSA-N 1 1 559.820 6.691 1 0 KKAFMO CS(=O)(=O)n1ccc2c1cccc2OCCC[N@H+](Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049898232 562692342 /nfs/dbraw/zinc/69/23/42/562692342.db2.gz PMNRZVRQMPJDNZ-UHFFFAOYSA-N 1 1 641.155 8.224 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5c4)c(OC)c(OC)c3)cc1)CC2 ZINC000049898348 562692496 /nfs/dbraw/zinc/69/24/96/562692496.db2.gz VNOXYKVYYQPXIW-UHFFFAOYSA-N 1 1 646.744 6.375 1 0 KKAFMO CC[NH+]1CCN(Cc2ccc3nc(-c4cc(C)n(Cc5cc(Cl)ccc5OCc5ccccc5)n4)[nH]c3c2)CC1 ZINC000049917567 562693568 /nfs/dbraw/zinc/69/35/68/562693568.db2.gz CKSCNJHXOYHRFM-UHFFFAOYSA-N 1 1 555.126 6.153 1 0 KKAFMO COc1ccc2c(c1)C[C@@H]1C[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917674 562693734 /nfs/dbraw/zinc/69/37/34/562693734.db2.gz HMNBYPOENJHEBF-MUUNZHRXSA-N 1 1 581.544 5.507 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000049917724 562693770 /nfs/dbraw/zinc/69/37/70/562693770.db2.gz AXWSLXQQWLRFQH-BQHJZSHBSA-N 1 1 540.894 6.436 1 0 KKAFMO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)c(F)c2)c2cnc(NCCC[NH+]3CCOCC3)nc21 ZINC000049917783 562693894 /nfs/dbraw/zinc/69/38/94/562693894.db2.gz LCITVEHDYVFAJG-UHFFFAOYSA-N 1 1 590.557 5.106 1 0 KKAFMO O=C(Nc1ccccc1)N[C@H]1CC[N@H+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000049918035 562694325 /nfs/dbraw/zinc/69/43/25/562694325.db2.gz MENBXQWQAZNXTG-QCDSWUKFSA-N 1 1 567.517 5.647 1 0 KKAFMO CCOC(=O)c1ccc(NC(=O)NCCC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049918038 562694351 /nfs/dbraw/zinc/69/43/51/562694351.db2.gz GDAOTXGABVHAOU-JHSVMATKSA-N 1 1 617.618 6.784 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000049918122 562694523 /nfs/dbraw/zinc/69/45/23/562694523.db2.gz OYNFNIUONBHBTC-PNVMRLOYSA-N 1 1 609.598 7.619 1 0 KKAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(-c6noc(C)n6)cc5C)cc4)CC3)nc(N)c2cc1OC ZINC000049918187 562694563 /nfs/dbraw/zinc/69/45/63/562694563.db2.gz PSKAOTLTXOPUJY-UHFFFAOYSA-N 1 1 593.688 5.209 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccccc3)c2)CC1 ZINC000049918246 562694676 /nfs/dbraw/zinc/69/46/76/562694676.db2.gz VTXVBCLFHOUOJX-UHFFFAOYSA-N 1 1 652.659 5.602 1 0 KKAFMO CCCN(c1cccnc1)C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000053204605 562696453 /nfs/dbraw/zinc/69/64/53/562696453.db2.gz CJOPYFQSLHCHSZ-LXLYTFERSA-N 1 1 518.746 5.512 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(F)(F)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053260426 562696957 /nfs/dbraw/zinc/69/69/57/562696957.db2.gz SFNJKKWRQWUNJB-AWJLRTIGSA-N 1 1 560.676 6.908 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]cc(C)c6c5)c4)CC3)CC2)CC1 ZINC000053293939 562697227 /nfs/dbraw/zinc/69/72/27/562697227.db2.gz LRIBWMWGLQWCCZ-UHFFFAOYSA-N 1 1 632.809 5.213 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3nccn3-c3cccc(C(F)(F)F)c3)cc(Nc3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000053312701 562697579 /nfs/dbraw/zinc/69/75/79/562697579.db2.gz LNMWIESJYPJEHD-UHFFFAOYSA-N 1 1 578.521 5.819 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000055753309 562697751 /nfs/dbraw/zinc/69/77/51/562697751.db2.gz NVIHKJYGMWNYEP-VMPREFPWSA-N 1 1 638.761 6.868 1 0 KKAFMO C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058498817 562698245 /nfs/dbraw/zinc/69/82/45/562698245.db2.gz FZYZAZVPXUZVPL-PGPLVTSKSA-N 1 1 530.112 5.657 1 0 KKAFMO CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41C[N@H+]2CC[C@@]3(C)OCc1ccccc1)c1ccc2c(c1NC5=O)OC=CC(C)(C)O2 ZINC000058532952 562698620 /nfs/dbraw/zinc/69/86/20/562698620.db2.gz MOSIRVPMEDLWCZ-BALBDZJMSA-N 1 1 583.729 5.021 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@@H](C)CCCC(C)C)c(OC)c1 ZINC000059033318 562701608 /nfs/dbraw/zinc/70/16/08/562701608.db2.gz PMJQQUGWVIORDG-DEOSSOPVSA-N 1 1 580.766 7.079 1 0 KKAFMO C[N@@H+]1CC(=Cc2ccc(Br)cc2)C2=NC(=S)N[C@@H](c3ccc(Br)cc3)C2C1 ZINC000059316065 562701964 /nfs/dbraw/zinc/70/19/64/562701964.db2.gz APLLUVWRENDFQK-XATQLNLPSA-N 1 1 505.279 5.014 1 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796539 562702338 /nfs/dbraw/zinc/70/23/38/562702338.db2.gz AWQTVWMPPTYLII-ALQBRSPBSA-N 1 1 510.603 7.789 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1 ZINC000061905944 562703035 /nfs/dbraw/zinc/70/30/35/562703035.db2.gz FHBNGEMGRIIAHW-UHFFFAOYSA-N 1 1 518.614 5.210 3 0 KKAFMO CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(C[N@@H+](CC)C/C3=C\c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)N12 ZINC000064448750 562705543 /nfs/dbraw/zinc/70/55/43/562705543.db2.gz CLKHEKQGFSCBKT-VKHARKSUSA-N 1 1 559.714 6.395 1 0 KKAFMO CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448835 562705550 /nfs/dbraw/zinc/70/55/50/562705550.db2.gz CCHFOHLBWJLTBI-VXKWHMMOSA-N 1 1 562.628 5.951 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000064622675 562708883 /nfs/dbraw/zinc/70/88/83/562708883.db2.gz DWBBIMOOPOSMMP-WAPJKPAKSA-N 1 1 617.549 6.058 3 0 KKAFMO O=C(CN1CCCC1)Nc1ccc(C(c2ccc(NC(=O)C[NH+]3CCCC3)cc2)C2CCCCCC2)cc1 ZINC000066066562 562709445 /nfs/dbraw/zinc/70/94/45/562709445.db2.gz IEKLJYUVBHJITM-UHFFFAOYSA-N 1 1 516.730 5.858 1 0 KKAFMO CCC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073944 562709620 /nfs/dbraw/zinc/70/96/20/562709620.db2.gz HGSQOYNWHXVVJS-YTTGMZPUSA-N 1 1 592.788 5.610 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073944 562709621 /nfs/dbraw/zinc/70/96/21/562709621.db2.gz HGSQOYNWHXVVJS-YTTGMZPUSA-N 1 1 592.788 5.610 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101598 562711399 /nfs/dbraw/zinc/71/13/99/562711399.db2.gz XWIGQKXPVMJLRO-RITIEAMOSA-N 1 1 613.806 7.220 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(C)cc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000066104985 562711818 /nfs/dbraw/zinc/71/18/18/562711818.db2.gz KGOKGWGUTDCYAR-UHFFFAOYSA-N 1 1 566.113 6.754 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066129122 562712871 /nfs/dbraw/zinc/71/28/71/562712871.db2.gz GHLGUBAWDNIZDR-DDFCPOBKSA-N 1 1 557.691 5.180 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCC(F)(F)F)cccc2C1=O ZINC000066136378 562713083 /nfs/dbraw/zinc/71/30/83/562713083.db2.gz FUJCODGQRRJPPD-YGKZAACZSA-N 1 1 590.470 5.627 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000066139355 562713498 /nfs/dbraw/zinc/71/34/98/562713498.db2.gz MPPRMBLAGUCTKA-YRCZKMHPSA-N 1 1 635.988 5.932 3 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000066251267 562714420 /nfs/dbraw/zinc/71/44/20/562714420.db2.gz HXGICNFQYMJEMV-UHFFFAOYSA-N 1 1 526.722 5.489 1 0 KKAFMO C[N@H+]1CCCC[C@@H]1CNc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066251143 562714449 /nfs/dbraw/zinc/71/44/49/562714449.db2.gz JZNBBUHXLHNYJX-HXUWFJFHSA-N 1 1 579.593 6.154 1 0 KKAFMO Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCCC[NH+]3CCOCC3)cc2)c(=O)n1C ZINC000068087597 562715780 /nfs/dbraw/zinc/71/57/80/562715780.db2.gz AZLNPEDDMCOQIM-VWLOTQADSA-N 1 1 654.513 5.293 1 0 KKAFMO C[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198776 562715958 /nfs/dbraw/zinc/71/59/58/562715958.db2.gz TZVXNNVFMGZHLT-QWIPUYGYSA-N 1 1 525.637 5.259 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071294647 562716938 /nfs/dbraw/zinc/71/69/38/562716938.db2.gz WWWDSUPUGKTUBA-FITHBNAOSA-N 1 1 530.732 6.648 1 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)CCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071295556 562717307 /nfs/dbraw/zinc/71/73/07/562717307.db2.gz DTTWZPSCBDLSIM-KXMYWBMJSA-N 1 1 590.918 7.288 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000071296970 562717670 /nfs/dbraw/zinc/71/76/70/562717670.db2.gz RZFIMUGJIHXZIF-RPLLCQBOSA-N 1 1 523.073 5.330 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccccc2C(F)(F)F)cc1 ZINC000071329559 562718949 /nfs/dbraw/zinc/71/89/49/562718949.db2.gz RDXRUWJACUMNME-WIOPSUGQSA-N 1 1 542.598 5.419 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccc(Cl)cc2)cc1 ZINC000071329632 562718956 /nfs/dbraw/zinc/71/89/56/562718956.db2.gz IJLWJAZHBSUYRA-JYFHCDHNSA-N 1 1 509.046 5.054 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000071340815 562719838 /nfs/dbraw/zinc/71/98/38/562719838.db2.gz GBQLALWRLHAJHT-WWFXOLRUSA-N 1 1 537.063 6.731 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072104313 562720438 /nfs/dbraw/zinc/72/04/38/562720438.db2.gz OHKIQZQGBKFRKA-KWRMZWAXSA-N 1 1 662.026 6.467 3 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc(OC)cc1 ZINC000072106402 562720985 /nfs/dbraw/zinc/72/09/85/562720985.db2.gz NUEJBTILNWQDFU-UHFFFAOYSA-N 1 1 544.527 5.391 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NC(C)(C)C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072106989 562721117 /nfs/dbraw/zinc/72/11/17/562721117.db2.gz HLIQIXKHPVIBEA-GKRYNVPLSA-N 1 1 642.275 7.729 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107098 562721174 /nfs/dbraw/zinc/72/11/74/562721174.db2.gz CFTPYNUSGDCEFZ-ZWEKWIFMSA-N 1 1 668.191 7.493 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCCO)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107740 562721326 /nfs/dbraw/zinc/72/13/26/562721326.db2.gz RXPUDPFPHRKTPJ-REUBFRLUSA-N 1 1 630.220 5.923 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@@H](F)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072109793 562721683 /nfs/dbraw/zinc/72/16/83/562721683.db2.gz TYPVIAFFRFMVRU-LRJWDFOKSA-N 1 1 658.249 7.385 1 0 KKAFMO C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@@H+]1CCC(F)(F)C1 ZINC000072110398 562721753 /nfs/dbraw/zinc/72/17/53/562721753.db2.gz JDVSLSGSBKIBLY-DFXYEROKSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@H+]1CCC(F)(F)C1 ZINC000072110398 562721754 /nfs/dbraw/zinc/72/17/54/562721754.db2.gz JDVSLSGSBKIBLY-DFXYEROKSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000072111180 562721914 /nfs/dbraw/zinc/72/19/14/562721914.db2.gz XJZSAPSRQHWIRO-YQLOHFSOSA-N 1 1 588.755 6.583 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CC[NH+]2CCOCC2)c(OC(C)C)c1 ZINC000072113436 562722381 /nfs/dbraw/zinc/72/23/81/562722381.db2.gz ALKDDWSRPFXJJZ-CONSDPRKSA-N 1 1 596.555 6.583 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccc(Cl)nn4)n3)CC2)cc1 ZINC000072116497 562723124 /nfs/dbraw/zinc/72/31/24/562723124.db2.gz SBKLSSSXSDEAAM-UHFFFAOYSA-N 1 1 561.105 5.696 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072120147 562723949 /nfs/dbraw/zinc/72/39/49/562723949.db2.gz AZWDZDHCJRDAAZ-KWRMZWAXSA-N 1 1 686.004 5.835 3 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000072122012 562724328 /nfs/dbraw/zinc/72/43/28/562724328.db2.gz KTOLAWMRFLMANX-PQKZQXQFSA-N 1 1 683.812 6.814 3 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123720 562724870 /nfs/dbraw/zinc/72/48/70/562724870.db2.gz MEAVCUVGGFTUOL-FSGZAOGXSA-N 1 1 659.728 7.501 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128788 562726331 /nfs/dbraw/zinc/72/63/31/562726331.db2.gz ZMTRPPZPJFXNFP-WNQXLSPZSA-N 1 1 680.041 6.331 3 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)Cc6ccccc6C(F)(F)F)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129871 562726537 /nfs/dbraw/zinc/72/65/37/562726537.db2.gz YTWWSBXEMIYTEK-NGZBDLKASA-N 1 1 644.888 8.265 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129963 562726672 /nfs/dbraw/zinc/72/66/72/562726672.db2.gz VOFKKBAFIPWOBQ-ULJKERAFSA-N 1 1 646.257 6.078 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072135900 562727670 /nfs/dbraw/zinc/72/76/70/562727670.db2.gz PBMKPKLGLMSGEU-FYQCMVGJSA-N 1 1 589.552 5.142 3 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000072136523 562728005 /nfs/dbraw/zinc/72/80/05/562728005.db2.gz DICSNASCOVLQDJ-NUNJUMJCSA-N 1 1 664.819 6.406 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137488 562728232 /nfs/dbraw/zinc/72/82/32/562728232.db2.gz RZTCCTLWYPHIEV-ZYADHFCISA-N 1 1 676.053 6.857 3 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCCC1 ZINC000072136967 562728264 /nfs/dbraw/zinc/72/82/64/562728264.db2.gz JYTODPBMQZNZIN-WISKXVKBSA-N 1 1 676.053 6.857 3 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCC[N@@H+](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172040 562730614 /nfs/dbraw/zinc/73/06/14/562730614.db2.gz NFNRBWZDIGKKNZ-XMMPIXPASA-N 1 1 558.631 5.520 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073158479 562733974 /nfs/dbraw/zinc/73/39/74/562733974.db2.gz WCMQVJYFRMDGSL-UHFFFAOYSA-N 1 1 618.159 6.912 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073159904 562733988 /nfs/dbraw/zinc/73/39/88/562733988.db2.gz IIYULCFWAWIAEA-UHFFFAOYSA-N 1 1 631.202 6.827 1 0 KKAFMO O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000073162211 562734200 /nfs/dbraw/zinc/73/42/00/562734200.db2.gz JEGVPURQLWUILZ-RUZDIDTESA-N 1 1 512.021 5.018 1 0 KKAFMO COC(=O)[C@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196027 562735012 /nfs/dbraw/zinc/73/50/12/562735012.db2.gz KCFHUAKSGKPHFU-FSOYUZNWSA-N 1 1 553.625 5.695 1 0 KKAFMO CC(C)[NH+]1CCN(c2ccnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc32)CC1 ZINC000073196261 562735067 /nfs/dbraw/zinc/73/50/67/562735067.db2.gz SHLRNAMEMGGTKI-UHFFFAOYSA-N 1 1 540.064 5.421 1 0 KKAFMO CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)C3CC3)c2)[NH+]2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000073196813 562735201 /nfs/dbraw/zinc/73/52/01/562735201.db2.gz DTQRXXAMMSJGIJ-WJOKGBTCSA-N 1 1 542.699 5.563 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000073197652 562735413 /nfs/dbraw/zinc/73/54/13/562735413.db2.gz GJLNDEKDUVZOPE-LEWJYISDSA-N 1 1 561.506 6.011 1 0 KKAFMO C[C@H](Nc1cc(N2CCC[C@@H]([N@H+]3CCc4c(cccc4-c4cccnc4)C3)C2)ncn1)c1ccc(Cl)cc1 ZINC000073198248 562735606 /nfs/dbraw/zinc/73/56/06/562735606.db2.gz FJAVFDVEPOTXLF-WXVAWEFUSA-N 1 1 525.100 6.392 1 0 KKAFMO C[N@H+]1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1I)c1ccccc1 ZINC000073221289 562736283 /nfs/dbraw/zinc/73/62/83/562736283.db2.gz NVMKECIXYGQWGJ-HKUYNNGSSA-N 1 1 502.318 5.265 1 0 KKAFMO Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H]([N@H+]5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150341 562739823 /nfs/dbraw/zinc/73/98/23/562739823.db2.gz YBSRGQCJZVKVHS-DLLPINGYSA-N 1 1 625.608 7.090 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCCCOc3ccc(Cl)c(Cl)c3)C2)C1=O ZINC000082150990 562739841 /nfs/dbraw/zinc/73/98/41/562739841.db2.gz KRTZTABXRLIXPM-UXHICEINSA-N 1 1 547.479 5.621 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164944 562741359 /nfs/dbraw/zinc/74/13/59/562741359.db2.gz ANPQBASXSZBVPK-FJQKOURKSA-N 1 1 709.852 5.249 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170266 562741442 /nfs/dbraw/zinc/74/14/42/562741442.db2.gz QGOMFWNTZLMDCP-HJIQQCSTSA-N 1 1 721.888 5.119 1 0 KKAFMO COc1cccc2c1CC[N@H+](CCN1CCC(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)cc3)CC1)C2 ZINC000084382963 562742907 /nfs/dbraw/zinc/74/29/07/562742907.db2.gz PKZYJGNKGPOSAE-UHFFFAOYSA-N 1 1 538.519 5.922 1 0 KKAFMO COc1cccc2c1CC[N@@H+](CCN1CCC(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)cc3)CC1)C2 ZINC000084382963 562742908 /nfs/dbraw/zinc/74/29/08/562742908.db2.gz PKZYJGNKGPOSAE-UHFFFAOYSA-N 1 1 538.519 5.922 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)N(C)CC3 ZINC000084403323 562743006 /nfs/dbraw/zinc/74/30/06/562743006.db2.gz VGZKGYKDQBWBNQ-ZAQUEYBZSA-N 1 1 729.712 8.273 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(CC4CCCCC4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000084587671 562743548 /nfs/dbraw/zinc/74/35/48/562743548.db2.gz PQVFHJADTQQVLM-ONPYCXCXSA-N 1 1 566.806 6.559 1 0 KKAFMO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595514 562743612 /nfs/dbraw/zinc/74/36/12/562743612.db2.gz JLVJXUOOJFCQIH-GCFSYYHISA-N 1 1 602.795 6.178 1 0 KKAFMO COc1ccc(-c2nc(C(=O)NCc3c(F)cccc3Cl)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084602614 562744069 /nfs/dbraw/zinc/74/40/69/562744069.db2.gz DGZFRSVEFICNRU-UHFFFAOYSA-N 1 1 508.859 5.098 1 0 KKAFMO COc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)c(C[NH3+])o2)c2ccc(C(F)(F)F)nc12 ZINC000084602939 562744104 /nfs/dbraw/zinc/74/41/04/562744104.db2.gz JKOQOPZNRCRLDK-UHFFFAOYSA-N 1 1 525.314 5.613 1 0 KKAFMO COc1cc(C(=O)N(CC[C@@H]2CCC[N@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000084615741 562744515 /nfs/dbraw/zinc/74/45/15/562744515.db2.gz QUPDLXCNMYTGQL-KUDIEGTJSA-N 1 1 538.582 5.900 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084617265 562744825 /nfs/dbraw/zinc/74/48/25/562744825.db2.gz KWNOUBVBEBGONG-LJQANCHMSA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084617265 562744826 /nfs/dbraw/zinc/74/48/26/562744826.db2.gz KWNOUBVBEBGONG-LJQANCHMSA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(N2CC[NH+](C)CC2)nc2ccccc21 ZINC000084619874 562745346 /nfs/dbraw/zinc/74/53/46/562745346.db2.gz FMIJNFTZRSVGEY-UHFFFAOYSA-N 1 1 678.926 5.404 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCCCCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084633704 562745794 /nfs/dbraw/zinc/74/57/94/562745794.db2.gz DGOVYLBKWBIMEY-UHFFFAOYSA-N 1 1 574.169 8.475 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(Cl)ccc2F)n1 ZINC000084635284 562746152 /nfs/dbraw/zinc/74/61/52/562746152.db2.gz STSLNBQVJVSGNZ-BJKOFHAPSA-N 1 1 559.076 6.472 1 0 KKAFMO O=C(N[C@H]1CC[C@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1 ZINC000084671342 562748515 /nfs/dbraw/zinc/74/85/15/562748515.db2.gz PGPJDRQJYRXXAU-DMDYGQEQSA-N 1 1 506.653 6.689 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 ZINC000084689053 562749297 /nfs/dbraw/zinc/74/92/97/562749297.db2.gz QQLLOGOAVLVOAD-FBLLAGFSSA-N 1 1 632.774 6.320 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000084704984 562749883 /nfs/dbraw/zinc/74/98/83/562749883.db2.gz AQKOLUZKBNCOKF-HOKHCIIBSA-N 1 1 606.755 5.889 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084706738 562750021 /nfs/dbraw/zinc/75/00/21/562750021.db2.gz FHQLDERKOWHENA-CBZWUMFZSA-N 1 1 616.803 6.258 1 0 KKAFMO CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3c(cccc3C(F)(F)F)[nH]2)cc1 ZINC000084742426 562752230 /nfs/dbraw/zinc/75/22/30/562752230.db2.gz ALAOJFCEUYZLEH-FBLLAGFSSA-N 1 1 592.728 5.544 1 0 KKAFMO CC[N@@H+](C)Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc43)c(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000084756782 562752290 /nfs/dbraw/zinc/75/22/90/562752290.db2.gz FWXODUHNWANOFN-UHFFFAOYSA-N 1 1 555.610 5.368 1 0 KKAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000084757268 562752406 /nfs/dbraw/zinc/75/24/06/562752406.db2.gz VGRHRLOVUZTBHT-VWLOTQADSA-N 1 1 564.690 5.484 1 0 in-vitro KKAFMO C[N@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000084757268 562752407 /nfs/dbraw/zinc/75/24/07/562752407.db2.gz VGRHRLOVUZTBHT-VWLOTQADSA-N 1 1 564.690 5.484 1 0 in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[NH2+]CC3 ZINC000085977034 562753443 /nfs/dbraw/zinc/75/34/43/562753443.db2.gz MSEKZZNGEVAPPO-NSOVKSMOSA-N 1 1 624.734 6.526 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000095539596 562755160 /nfs/dbraw/zinc/75/51/60/562755160.db2.gz FOPNJXZLDYHPLA-UHFFFAOYSA-N 1 1 609.702 5.898 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000095539596 562755161 /nfs/dbraw/zinc/75/51/61/562755161.db2.gz FOPNJXZLDYHPLA-UHFFFAOYSA-N 1 1 609.702 5.898 1 0 KKAFMO CN(CCOC(=O)CCCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540577 562755827 /nfs/dbraw/zinc/75/58/27/562755827.db2.gz URTDSECLQCJXGV-UHFFFAOYSA-N 1 1 821.762 7.326 1 0 KKAFMO CN(CCOC(=O)CCCCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540577 562755828 /nfs/dbraw/zinc/75/58/28/562755828.db2.gz URTDSECLQCJXGV-UHFFFAOYSA-N 1 1 821.762 7.326 1 0 KKAFMO CN(CCOC(=O)CCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540759 562755980 /nfs/dbraw/zinc/75/59/80/562755980.db2.gz IEFRZYSOKBZESZ-UHFFFAOYSA-N 1 1 793.708 6.546 1 0 KKAFMO CN(CCOC(=O)CCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540759 562755981 /nfs/dbraw/zinc/75/59/81/562755981.db2.gz IEFRZYSOKBZESZ-UHFFFAOYSA-N 1 1 793.708 6.546 1 0 KKAFMO CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)Oc4cccc(CCN5CCN(c6ccccc6OC)CC5)c4)c4ccccc4C3(C)C)c(=O)oc2c1 ZINC000095544724 562757832 /nfs/dbraw/zinc/75/78/32/562757832.db2.gz VADVHCUUMVARLM-UHFFFAOYSA-N 1 1 796.045 9.268 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551582 562760342 /nfs/dbraw/zinc/76/03/42/562760342.db2.gz UHVXBAOYWVPWNC-DOPMQRPBSA-N 1 1 736.914 10.859 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551582 562760343 /nfs/dbraw/zinc/76/03/43/562760343.db2.gz UHVXBAOYWVPWNC-DOPMQRPBSA-N 1 1 736.914 10.859 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095555209 562761487 /nfs/dbraw/zinc/76/14/87/562761487.db2.gz XGTQCBVZDZQARY-UHFFFAOYSA-N 1 1 556.053 7.223 1 0 KKAFMO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccncn3)cc2)oc2ccccc12 ZINC000095555984 562761663 /nfs/dbraw/zinc/76/16/63/562761663.db2.gz NYCOOKIAEBYURC-UHFFFAOYSA-N 1 1 725.798 7.017 1 0 KKAFMO CCCCc1nc(-c2ccc(OC[C@@H]3CCC[N@@H+](CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558458 562762437 /nfs/dbraw/zinc/76/24/37/562762437.db2.gz JUZYFJPCVFWDLS-XMMPIXPASA-N 1 1 561.191 9.376 1 0 KKAFMO COc1cc(-c2cc3cc(OC)c(OC)c(OC)c3c(C)[nH+]2)cc(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000095563284 562763909 /nfs/dbraw/zinc/76/39/09/562763909.db2.gz VXXKJFHHEPQQGW-UHFFFAOYSA-N 1 1 521.613 7.587 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566567 562765058 /nfs/dbraw/zinc/76/50/58/562765058.db2.gz MXAUBRBUARVCOA-QLVXXPONSA-N 1 1 598.666 5.630 1 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000095566682 562765187 /nfs/dbraw/zinc/76/51/87/562765187.db2.gz VBUGFXGKPOALGB-UHFFFAOYSA-N 1 1 583.530 7.614 3 0 KKAFMO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCC[NH+]3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095567547 562765912 /nfs/dbraw/zinc/76/59/12/562765912.db2.gz RFTCBNQSCRPSMN-LSXWMESBSA-N 1 1 630.811 5.315 3 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095567636 562765964 /nfs/dbraw/zinc/76/59/64/562765964.db2.gz LMVYLEREBXGKHC-XUJRGEPCSA-N 1 1 652.792 6.413 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095567701 562766049 /nfs/dbraw/zinc/76/60/49/562766049.db2.gz XOJDVVMUWTXSDO-DGHZZKTQSA-N 1 1 670.855 5.256 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567763 562766067 /nfs/dbraw/zinc/76/60/67/562766067.db2.gz IXNRSUPNSZLJQC-VQDACHMZSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095567790 562766077 /nfs/dbraw/zinc/76/60/77/562766077.db2.gz UZEHIQNFVBKJCC-RYOMNGFGSA-N 1 1 676.839 7.207 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000095567976 562766240 /nfs/dbraw/zinc/76/62/40/562766240.db2.gz AXAKNSSSVDKLRR-GJCZEXATSA-N 1 1 599.772 6.350 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095568189 562766383 /nfs/dbraw/zinc/76/63/83/562766383.db2.gz NGQWRAJVXVPGQM-LOTJKCTMSA-N 1 1 668.770 5.656 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000095568156 562766387 /nfs/dbraw/zinc/76/63/87/562766387.db2.gz GHLGUBAWDNIZDR-ZTNZZFSWSA-N 1 1 557.691 5.180 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)O3)cc1 ZINC000095568184 562766398 /nfs/dbraw/zinc/76/63/98/562766398.db2.gz GFVNWDBMZVYSCS-BBUMLKAKSA-N 1 1 694.833 5.455 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568287 562766426 /nfs/dbraw/zinc/76/64/26/562766426.db2.gz JQXCVRFSCSGTFT-NPKFRGRUSA-N 1 1 634.626 5.384 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568268 562766437 /nfs/dbraw/zinc/76/64/37/562766437.db2.gz MLNWPGCJBNVZPL-NJQVLOCASA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568268 562766438 /nfs/dbraw/zinc/76/64/38/562766438.db2.gz MLNWPGCJBNVZPL-NJQVLOCASA-N 1 1 706.265 5.327 1 0 KKAFMO 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)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095568341 562766523 /nfs/dbraw/zinc/76/65/23/562766523.db2.gz CZGXFYZCYNDJOB-WGKZYHDKSA-N 1 1 752.797 8.296 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095568288 562766532 /nfs/dbraw/zinc/76/65/32/562766532.db2.gz IGUFQSLVAOYZBL-PYAKLNENSA-N 1 1 650.742 5.659 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568548 562766719 /nfs/dbraw/zinc/76/67/19/562766719.db2.gz UBMFRUBMXOVEAJ-IKXMMLORSA-N 1 1 605.779 5.816 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095568811 562766958 /nfs/dbraw/zinc/76/69/58/562766958.db2.gz BCUCLIMAYGDMQB-ZENPUIFLSA-N 1 1 682.797 5.585 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568897 562766984 /nfs/dbraw/zinc/76/69/84/562766984.db2.gz MGXDQALVEHELJP-WURXVLGASA-N 1 1 620.599 5.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568988 562767087 /nfs/dbraw/zinc/76/70/87/562767087.db2.gz OFYJPRSBIVOGOZ-FONBTEPMSA-N 1 1 666.663 6.649 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095569658 562767611 /nfs/dbraw/zinc/76/76/11/562767611.db2.gz MXAUBRBUARVCOA-SYZUXVNWSA-N 1 1 598.666 5.630 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095570037 562767863 /nfs/dbraw/zinc/76/78/63/562767863.db2.gz UBMFRUBMXOVEAJ-UGIZIUIESA-N 1 1 605.779 5.816 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570369 562768130 /nfs/dbraw/zinc/76/81/30/562768130.db2.gz ANMWFCJWJFPARY-HQPLKVBUSA-N 1 1 660.054 7.151 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570418 562768162 /nfs/dbraw/zinc/76/81/62/562768162.db2.gz WPPOVSPAEBFYOJ-SGQICDRISA-N 1 1 652.748 6.204 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570772 562768477 /nfs/dbraw/zinc/76/84/77/562768477.db2.gz RZMKFQMJULYPIX-VWGARZEKSA-N 1 1 657.833 5.444 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570909 562768596 /nfs/dbraw/zinc/76/85/96/562768596.db2.gz KMMQDOVCDINFEJ-IKXMMLORSA-N 1 1 657.833 5.869 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570995 562768673 /nfs/dbraw/zinc/76/86/73/562768673.db2.gz RBOAJFBNHJWMOW-GLBCCIBASA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095571245 562768916 /nfs/dbraw/zinc/76/89/16/562768916.db2.gz PWTWTDDNXRGKGX-RNDKRWLGSA-N 1 1 676.736 7.494 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095571264 562768936 /nfs/dbraw/zinc/76/89/36/562768936.db2.gz UUCMFHNJLLHFQV-REYAJUCUSA-N 1 1 598.788 6.160 1 0 KKAFMO C[N@H+]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095577018 562770830 /nfs/dbraw/zinc/77/08/30/562770830.db2.gz SXLPGHDQPPDONN-SPHVMLLUSA-N 1 1 509.437 5.511 1 0 KKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1 ZINC000095578445 562771283 /nfs/dbraw/zinc/77/12/83/562771283.db2.gz YSMXCVGNCVNXGB-UHFFFAOYSA-N 1 1 581.756 9.945 1 0 KKAFMO C[C@H](OCc1ccccc1)[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095582605 562772657 /nfs/dbraw/zinc/77/26/57/562772657.db2.gz TUCXULKCFZVWCR-ZSDILKBGSA-N 1 1 543.752 5.027 1 0 KKAFMO C[N@H+]1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095588191 562774561 /nfs/dbraw/zinc/77/45/61/562774561.db2.gz RDEMHYKOMLLOPQ-CPESWEKQSA-N 1 1 508.415 6.149 1 0 KKAFMO CCC[S@](=O)c1csc2cc(-c3nc(-c4ccc(OCC[NH+](C)C)cc4)[nH]c3-c3ccncc3)ccc21 ZINC000095588280 562774608 /nfs/dbraw/zinc/77/46/08/562774608.db2.gz WKLVMJVNYVQWTB-DIPNUNPCSA-N 1 1 530.719 6.478 1 0 KKAFMO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c(c3)scc4[S@@](C)=O)c(-c3ccncc3)[nH]2)cc1 ZINC000095589130 562774852 /nfs/dbraw/zinc/77/48/52/562774852.db2.gz RENJVVIMBVMZFF-DHUJRADRSA-N 1 1 502.665 5.698 1 0 KKAFMO Cc1ccc2[nH+]c(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC3CCCCC3)n2c1 ZINC000095589444 562774945 /nfs/dbraw/zinc/77/49/45/562774945.db2.gz FMNRVMDQAIHBQK-UHFFFAOYSA-N 1 1 572.153 8.031 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)C[N@@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095590834 562775385 /nfs/dbraw/zinc/77/53/85/562775385.db2.gz RTWTTZOCXJIFQF-UHFFFAOYSA-N 1 1 719.835 6.566 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)cs4)cn3)cc1)CC2 ZINC000095592334 562775897 /nfs/dbraw/zinc/77/58/97/562775897.db2.gz HOCINXKSOFDSJA-UHFFFAOYSA-N 1 1 553.659 7.379 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)cs4)cn3)cc1)CC2 ZINC000095592334 562775898 /nfs/dbraw/zinc/77/58/98/562775898.db2.gz HOCINXKSOFDSJA-UHFFFAOYSA-N 1 1 553.659 7.379 1 0 KKAFMO CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095595869 562776840 /nfs/dbraw/zinc/77/68/40/562776840.db2.gz OTZRGWVDYSGNSZ-WLIAIIHGSA-N 1 1 626.654 6.001 1 0 KKAFMO C[N@H+]1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596714 562777084 /nfs/dbraw/zinc/77/70/84/562777084.db2.gz KBBGMLWMEQJHMK-QXUSSCGESA-N 1 1 683.853 5.760 1 0 KKAFMO C[N@H+]1Cc2cc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)ccc2C[C@@H]1c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)cc1 ZINC000095596713 562777097 /nfs/dbraw/zinc/77/70/97/562777097.db2.gz KBBGMLWMEQJHMK-XEZIGOATSA-N 1 1 683.853 5.760 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095598834 562777575 /nfs/dbraw/zinc/77/75/75/562777575.db2.gz KTOLAWMRFLMANX-GTZOPPDQSA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599249 562777932 /nfs/dbraw/zinc/77/79/32/562777932.db2.gz JUEHVKXRGUAEIX-ZHBPACGQSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095599296 562777953 /nfs/dbraw/zinc/77/79/53/562777953.db2.gz XOJDVVMUWTXSDO-XUKQSAIQSA-N 1 1 670.855 5.256 1 0 KKAFMO COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)[N@H+](Cc2ccccc2OC)[C@@H]1c1ccc(F)cc1 ZINC000095599351 562777974 /nfs/dbraw/zinc/77/79/74/562777974.db2.gz KDPOAHBJJCVPDP-MBHXYKBCSA-N 1 1 503.570 5.196 3 0 KKAFMO COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)[N@@H+](Cc2ccccc2OC)[C@@H]1c1ccc(F)cc1 ZINC000095599351 562777975 /nfs/dbraw/zinc/77/79/75/562777975.db2.gz KDPOAHBJJCVPDP-MBHXYKBCSA-N 1 1 503.570 5.196 3 0 KKAFMO 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(F)(F)F)cc2C1=O ZINC000095599794 562778308 /nfs/dbraw/zinc/77/83/08/562778308.db2.gz QKQHOPFIEPLIHC-QAAVFVPKSA-N 1 1 689.738 6.914 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599951 562778506 /nfs/dbraw/zinc/77/85/06/562778506.db2.gz RBOAJFBNHJWMOW-ZIZQKJAQSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095600443 562778904 /nfs/dbraw/zinc/77/89/04/562778904.db2.gz DETSJJCDIRAXSN-RYOMNGFGSA-N 1 1 622.766 6.404 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600589 562779054 /nfs/dbraw/zinc/77/90/54/562779054.db2.gz SIHGKWCNYKQFFR-OYJDADHOSA-N 1 1 652.748 6.204 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600686 562779149 /nfs/dbraw/zinc/77/91/49/562779149.db2.gz MKMSHMRQNRVEBK-GNMOFYLKSA-N 1 1 584.639 5.702 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095600708 562779158 /nfs/dbraw/zinc/77/91/58/562779158.db2.gz PIPSXTOHKBCCEO-CZWSTMTISA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095600899 562779313 /nfs/dbraw/zinc/77/93/13/562779313.db2.gz JQAVPWYOCCRIFQ-UHFQAXKXSA-N 1 1 700.840 6.670 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601246 562779470 /nfs/dbraw/zinc/77/94/70/562779470.db2.gz QMCFBRPLMVFDBX-FXKJGQKXSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095601285 562779522 /nfs/dbraw/zinc/77/95/22/562779522.db2.gz AFYWTTPVIQZCSA-WBSRRFCYSA-N 1 1 678.802 6.126 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095601275 562779538 /nfs/dbraw/zinc/77/95/38/562779538.db2.gz DWBBIMOOPOSMMP-HQLBTAIYSA-N 1 1 617.549 6.058 1 0 KKAFMO COC(=O)c1cccc(NC(=O)N(CCC[NH+]2CCN(C)CC2)CCC(c2ccccc2)c2ccccc2)c1 ZINC000095601800 562779803 /nfs/dbraw/zinc/77/98/03/562779803.db2.gz RSTABTCGQHAJLQ-UHFFFAOYSA-N 1 1 528.697 5.167 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095602696 562780173 /nfs/dbraw/zinc/78/01/73/562780173.db2.gz RBOAJFBNHJWMOW-WYOWBBOASA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095605177 562781434 /nfs/dbraw/zinc/78/14/34/562781434.db2.gz CMTIPOGQFXEGCZ-AWYDNWMNSA-N 1 1 655.840 5.321 1 0 KKAFMO C[C@H](C(=O)Nc1nc([C@@H](CC[N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 ZINC000095607338 562782755 /nfs/dbraw/zinc/78/27/55/562782755.db2.gz JWKLHPJIQARGDH-ITUMADGPSA-N 1 1 740.814 9.020 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 562782774 /nfs/dbraw/zinc/78/27/74/562782774.db2.gz IBDZCUWDCUNLFP-ILJQZKEFSA-N 1 1 526.725 5.539 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3csc(-c4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607372 562782786 /nfs/dbraw/zinc/78/27/86/562782786.db2.gz HRDRRQHMSIEVHO-ILJQZKEFSA-N 1 1 543.777 6.739 1 0 KKAFMO CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000095609881 562784049 /nfs/dbraw/zinc/78/40/49/562784049.db2.gz JHHSARVJZDXJAW-LTLCPEALSA-N 1 1 760.977 5.730 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)o3)CC2)[C@@H](c2ccccc2)C1 ZINC000095615593 562787382 /nfs/dbraw/zinc/78/73/82/562787382.db2.gz FVHNVQXWBIUQGH-ZGIBFIJWSA-N 1 1 513.682 5.414 1 0 KKAFMO COc1ccc(C[NH2+][C@@H](C(=O)N[C@H](C(=O)NCc2cc3ccccc3[nH]2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000095612362 562785459 /nfs/dbraw/zinc/78/54/59/562785459.db2.gz XVIQWVWXSGCTSJ-WVBQXTTCSA-N 1 1 804.989 5.131 1 0 KKAFMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670056 562788237 /nfs/dbraw/zinc/78/82/37/562788237.db2.gz DTCLOSIOZCFUAJ-YWEHKCAJSA-N 1 1 515.572 6.180 1 0 KKAFMO C[N@@H+](CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670066 562788270 /nfs/dbraw/zinc/78/82/70/562788270.db2.gz UZVLCYSJIDJZJW-WNJJXGMVSA-N 1 1 509.568 6.741 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095809901 562789252 /nfs/dbraw/zinc/78/92/52/562789252.db2.gz AOGINIYPPPQZNW-AODHNJGLSA-N 1 1 702.856 5.546 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095822859 562789279 /nfs/dbraw/zinc/78/92/79/562789279.db2.gz JQXCVRFSCSGTFT-VDZJOXJSSA-N 1 1 634.626 5.384 1 0 KKAFMO Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)nc12 ZINC000096167719 562790529 /nfs/dbraw/zinc/79/05/29/562790529.db2.gz YESWYKJMEYTXTR-UHFFFAOYSA-N 1 1 523.468 5.677 1 0 KKAFMO CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169824 562790834 /nfs/dbraw/zinc/79/08/34/562790834.db2.gz FWQZNEMAOKLNKT-UHFFFAOYSA-N 1 1 552.601 5.046 1 0 KKAFMO COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174201 562791790 /nfs/dbraw/zinc/79/17/90/562791790.db2.gz FSTCYTJKYVEAES-LDLOPFEMSA-N 1 1 668.802 5.552 1 0 KKAFMO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@H]5CC[N@@H+](C)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175757 562791970 /nfs/dbraw/zinc/79/19/70/562791970.db2.gz FJWLTICFCATXQI-NRFANRHFSA-N 1 1 617.776 5.426 1 0 KKAFMO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+]([C@H]5CCS(=O)(=O)C5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177933 562792512 /nfs/dbraw/zinc/79/25/12/562792512.db2.gz KIMNJAINAKNBNF-VWLOTQADSA-N 1 1 695.912 5.793 1 0 KKAFMO Cc1cc(-c2cc(NC(=O)c3ccc(C[NH+]4CCN(C)CC4)cc3)n[nH]2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1 ZINC000096270656 562793287 /nfs/dbraw/zinc/79/32/87/562793287.db2.gz AEOFEGDYORZHFE-UHFFFAOYSA-N 1 1 570.698 5.314 1 0 in-vitro KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c3ccccc3c2=O)cc1F ZINC000096270754 562793348 /nfs/dbraw/zinc/79/33/48/562793348.db2.gz ADAZJHGJWPAJRZ-UHFFFAOYSA-N 1 1 675.717 6.227 1 0 KKAFMO CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCC[NH2+]5)CC4)c(Nc4ccccc4)c3)cc2C1 ZINC000096284378 562795097 /nfs/dbraw/zinc/79/50/97/562795097.db2.gz DRWIINODRIXUJU-SSEXGKCCSA-N 1 1 537.708 5.622 1 0 KKAFMO CC[N@H+]1CCn2c(cnc2[C@H](Cc2cc3c[nH]nc3c(C)c2)OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C1 ZINC000096284738 562795292 /nfs/dbraw/zinc/79/52/92/562795292.db2.gz VEWKJXMBTJTFJT-LJAQVGFWSA-N 1 1 579.705 5.045 1 0 KKAFMO O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285569 562795868 /nfs/dbraw/zinc/79/58/68/562795868.db2.gz PDCBHYYTMYMYBE-UHFFFAOYSA-N 1 1 588.752 6.386 1 0 KKAFMO C[C@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285939 562795961 /nfs/dbraw/zinc/79/59/61/562795961.db2.gz ZLRHPCBASMAWBT-HNNXBMFYSA-N 1 1 519.473 6.018 1 0 KKAFMO 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)N(C)CC4 ZINC000096887214 562796610 /nfs/dbraw/zinc/79/66/10/562796610.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 1 1 780.840 8.719 1 0 KKAFMO 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)N(C)CC4 ZINC000096887214 562796611 /nfs/dbraw/zinc/79/66/11/562796611.db2.gz NAKHSLHPMZCJLI-MPQUPPDSSA-N 1 1 780.840 8.719 1 0 KKAFMO COc1cccc(CN2CCN(C[C@@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CC[NH+](C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907752 562799221 /nfs/dbraw/zinc/79/92/21/562799221.db2.gz JIZBSLOZXTWCDC-JXEGDCPISA-N 1 1 838.891 8.357 1 0 KKAFMO COCC[NH2+]Cc1nnc(Cn2c3c(c(=O)nc2SCc2ccc(F)cc2)CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096909366 562799577 /nfs/dbraw/zinc/79/95/77/562799577.db2.gz BOFNUKIBYFTQEZ-UHFFFAOYSA-N 1 1 678.756 6.273 1 0 KKAFMO Cc1nc(NCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc(-c2ccccc2)c1C(=O)OC(C)C ZINC000096911412 562800198 /nfs/dbraw/zinc/80/01/98/562800198.db2.gz KELVVCAHSXDAKB-UHFFFAOYSA-N 1 1 504.034 6.523 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000096913905 562800461 /nfs/dbraw/zinc/80/04/61/562800461.db2.gz ULWOQYXTZAOOPO-KAYWLYCHSA-N 1 1 530.665 5.057 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000096913905 562800462 /nfs/dbraw/zinc/80/04/62/562800462.db2.gz ULWOQYXTZAOOPO-KAYWLYCHSA-N 1 1 530.665 5.057 1 0 KKAFMO O=C1c2c(c(Cl)nc3ccccc23)CN1CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000096922222 562801746 /nfs/dbraw/zinc/80/17/46/562801746.db2.gz SKYSLLIXUHVKKC-UHFFFAOYSA-N 1 1 503.861 5.753 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(F)cc32)cc1F ZINC000096923706 562802125 /nfs/dbraw/zinc/80/21/25/562802125.db2.gz BYGPPINXSJTQLN-UHFFFAOYSA-N 1 1 690.747 8.191 1 0 KKAFMO Cc1c(C(=O)NC2CCN(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5C)[C@H]3O7)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000096929008 562802991 /nfs/dbraw/zinc/80/29/91/562802991.db2.gz UHHKCSQQAAQGFS-OWZNZNQXSA-N 1 1 792.164 6.270 1 0 KKAFMO c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(NCC[NH+]2CCOCC2)c(-c2ccccc2)c1 ZINC000096940297 562804960 /nfs/dbraw/zinc/80/49/60/562804960.db2.gz SCLHUQPNBICRKD-UHFFFAOYSA-N 1 1 543.715 6.622 1 0 KKAFMO Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCC[N@H+]7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@H]46)C7)c-3nc21 ZINC000101279629 562810214 /nfs/dbraw/zinc/81/02/14/562810214.db2.gz DDRSBWWAQLWQBR-UWBJJPBBSA-N 1 1 562.758 6.877 1 0 KKAFMO Cc1nnc(C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1cccc(F)c1 ZINC000101330432 562810334 /nfs/dbraw/zinc/81/03/34/562810334.db2.gz IYPBMBFFXYLGOM-LIONHTAISA-N 1 1 503.613 5.275 1 0 KKAFMO COc1ccc(C[C@H]2CC(=O)N(c3ccccc3C(=O)OC[C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000101645536 562811533 /nfs/dbraw/zinc/81/15/33/562811533.db2.gz UNYHZMFOWCLOMI-IZLXSDGUSA-N 1 1 554.687 5.319 1 0 KKAFMO CC(C)CCOc1ccc(CCCCCCCCNC(=[NH+]c2ccc(N(C)C)cc2)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103217100 562817170 /nfs/dbraw/zinc/81/71/70/562817170.db2.gz WSBNLEZBAIDCJO-UHFFFAOYSA-N 1 1 579.782 6.810 1 0 KKAFMO Cc1cc(N(C)C)cc(C)c1[NH+]=C(NCCCCCCCCc1ccc(C(C)(C)C)cc1)C1C(=O)OC(C)(C)OC1=O ZINC000103217091 562817173 /nfs/dbraw/zinc/81/71/73/562817173.db2.gz KXAUTFWZOMTFSJ-UHFFFAOYSA-N 1 1 577.810 7.299 1 0 KKAFMO C[C@H](c1cc(F)cc(F)c1)N(C/C=C/c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)[C@@H]1CCC[N@H+]1C ZINC000103224739 562817601 /nfs/dbraw/zinc/81/76/01/562817601.db2.gz NJLGJIVVVAPJOY-VMWKKPLTSA-N 1 1 542.630 5.046 1 0 KKAFMO COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CC[NH+](C)CC3)[C@@H]12 ZINC000103224892 562817637 /nfs/dbraw/zinc/81/76/37/562817637.db2.gz UMSIRVRZLBFUBM-SNTUXTEOSA-N 1 1 527.753 6.397 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103225005 562817648 /nfs/dbraw/zinc/81/76/48/562817648.db2.gz WNZDUGWDHNSPHZ-XDZXDJIYSA-N 1 1 527.704 5.993 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103225003 562817660 /nfs/dbraw/zinc/81/76/60/562817660.db2.gz WNZDUGWDHNSPHZ-GWMMUDDPSA-N 1 1 527.704 5.993 1 0 KKAFMO CC(C)(C)C[N@H+]1CCC[C@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226396 562817836 /nfs/dbraw/zinc/81/78/36/562817836.db2.gz MKZHQZOOENCXQI-SSEXGKCCSA-N 1 1 552.641 7.761 1 0 KKAFMO CC(C)(C)n1nnnc1[C@H](NCCNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(Cl)c(Cl)c1 ZINC000103233851 562818538 /nfs/dbraw/zinc/81/85/38/562818538.db2.gz ODVZHJQDBJYXGP-OAQYLSRUSA-N 1 1 504.853 5.728 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1 ZINC000103235737 562818742 /nfs/dbraw/zinc/81/87/42/562818742.db2.gz USAXVIXBYKTAEI-KUMHGWDASA-N 1 1 547.187 7.163 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000103236300 562818892 /nfs/dbraw/zinc/81/88/92/562818892.db2.gz CFGPBMMDEHHUIK-QPJCRATJSA-N 1 1 526.040 5.405 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240388 562819485 /nfs/dbraw/zinc/81/94/85/562819485.db2.gz FKWTWWTVDIYNOD-UMSFTDKQSA-N 1 1 587.772 5.183 1 0 KKAFMO C[NH+]1CCN(CCn2c(-c3cc4ccc(Br)cc4[nH]3)cc3cc(Br)ccc32)CC1 ZINC000103259870 562821162 /nfs/dbraw/zinc/82/11/62/562821162.db2.gz IWQVTTUKONPQIB-UHFFFAOYSA-N 1 1 516.281 5.562 1 0 KKAFMO Cc1nc2cccnc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C(=O)OCc1ccc(F)cc1)c1ccccc1 ZINC000103260350 562821169 /nfs/dbraw/zinc/82/11/69/562821169.db2.gz YVHPYZYYBYBDEI-PUHABZHSSA-N 1 1 512.629 5.964 1 0 KKAFMO O=C(N1CCN(c2ccccn2)CC1)[C@@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000103261488 562821458 /nfs/dbraw/zinc/82/14/58/562821458.db2.gz BXWNFSDIKPXQSG-MUUNZHRXSA-N 1 1 530.635 5.243 1 0 KKAFMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cnn(C)c3)n2)cc1 ZINC000103264893 562822016 /nfs/dbraw/zinc/82/20/16/562822016.db2.gz JODFNBNIFASSRO-SZPZYZBQSA-N 1 1 525.657 5.099 1 0 KKAFMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cnn(C)c3)n2)cc1 ZINC000103264893 562822017 /nfs/dbraw/zinc/82/20/17/562822017.db2.gz JODFNBNIFASSRO-SZPZYZBQSA-N 1 1 525.657 5.099 1 0 KKAFMO C(=C/c1ccccc1)\CO[C@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1OC/C=C/c1ccccc1)OCO5 ZINC000103268959 562822734 /nfs/dbraw/zinc/82/27/34/562822734.db2.gz XSLZOZSGRGKSCS-VSONBLFFSA-N 1 1 519.641 6.224 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000103290499 562824075 /nfs/dbraw/zinc/82/40/75/562824075.db2.gz AFIKQDOXLXLVDZ-NSOVKSMOSA-N 1 1 624.734 6.565 1 0 KKAFMO CC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000103297193 562824603 /nfs/dbraw/zinc/82/46/03/562824603.db2.gz YLTIESVKMHXFAD-UHFFFAOYSA-N 1 1 603.045 6.773 1 0 KKAFMO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298985 562824827 /nfs/dbraw/zinc/82/48/27/562824827.db2.gz QZEMWGWSPVJGPU-MHZLTWQESA-N 1 1 620.754 5.338 1 0 KKAFMO CC[N@@H+](CCCCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1)Cc1cccc(OC)c1 ZINC000103299666 562824904 /nfs/dbraw/zinc/82/49/04/562824904.db2.gz PPOSVTRUDAFCMW-BUHFOSPRSA-N 1 1 503.683 7.344 1 0 KKAFMO [NH3+][C@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114034998 562826941 /nfs/dbraw/zinc/82/69/41/562826941.db2.gz VDRCJVZTFBOTHB-SFHVURJKSA-N 1 1 533.007 5.454 1 0 KKAFMO [NH3+][C@@H]1CCCN(c2ncc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114034995 562826967 /nfs/dbraw/zinc/82/69/67/562826967.db2.gz VDRCJVZTFBOTHB-GOSISDBHSA-N 1 1 533.007 5.454 1 0 KKAFMO COc1cc(-c2ccc3[nH+]cc(C(=O)C4CC4)c(NC4CCC(N5CCC(F)(F)C5)CC4)c3c2)cc(Cl)c1O ZINC000114037821 562827270 /nfs/dbraw/zinc/82/72/70/562827270.db2.gz UBFHRBSHNDAYIC-UHFFFAOYSA-N 1 1 556.053 6.926 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1NC1CCN(CC[NH+](C)C)CC1 ZINC000114038618 562827325 /nfs/dbraw/zinc/82/73/25/562827325.db2.gz ADHBMAWHFNATSK-UHFFFAOYSA-N 1 1 501.458 5.555 1 0 KKAFMO C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039436 562827443 /nfs/dbraw/zinc/82/74/43/562827443.db2.gz PWVMODVQUPGFRS-HXUWFJFHSA-N 1 1 532.019 5.929 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cnn(C2CC[NH2+]CC2)c1)C1CC1 ZINC000114039610 562827456 /nfs/dbraw/zinc/82/74/56/562827456.db2.gz MVHATJAXGNXNRE-UHFFFAOYSA-N 1 1 505.981 5.857 1 0 KKAFMO Cc1cccc(C[N@@H+]2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097430 562827544 /nfs/dbraw/zinc/82/75/44/562827544.db2.gz PEWRVXMBFXTASC-AREMUKBSSA-N 1 1 501.067 5.004 1 0 KKAFMO Cc1cccc(C[N@H+]2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097430 562827545 /nfs/dbraw/zinc/82/75/45/562827545.db2.gz PEWRVXMBFXTASC-AREMUKBSSA-N 1 1 501.067 5.004 1 0 KKAFMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000114099621 562827656 /nfs/dbraw/zinc/82/76/56/562827656.db2.gz IETSSHMCIVYCEF-JOCHJYFZSA-N 1 1 517.066 5.025 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114099872 562827686 /nfs/dbraw/zinc/82/76/86/562827686.db2.gz UMBAXYUNLBBCLW-RUZDIDTESA-N 1 1 524.105 5.890 1 0 KKAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccc(C(F)(F)F)cc3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000114385497 562828241 /nfs/dbraw/zinc/82/82/41/562828241.db2.gz MCSSPJDVSFEKQO-PKTZIBPZSA-N 1 1 557.521 5.568 1 0 KKAFMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccc(C(F)(F)F)cc3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000114385497 562828242 /nfs/dbraw/zinc/82/82/42/562828242.db2.gz MCSSPJDVSFEKQO-PKTZIBPZSA-N 1 1 557.521 5.568 1 0 KKAFMO FC(F)(F)c1ccc(C(CCC[NH+]2CCC(N3Cc4ccccc4C3)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817185 562828504 /nfs/dbraw/zinc/82/85/04/562828504.db2.gz LRAIVHXPGSVPRI-UHFFFAOYSA-N 1 1 546.599 8.117 1 0 KKAFMO FC(F)(F)c1ccc(C(CCCN2CCC([NH+]3Cc4ccccc4C3)CC2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000114817185 562828505 /nfs/dbraw/zinc/82/85/05/562828505.db2.gz LRAIVHXPGSVPRI-UHFFFAOYSA-N 1 1 546.599 8.117 1 0 KKAFMO CC(C)c1nc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCC[NH+]4CCN(C)CC4)ccn32)cs1 ZINC000117883541 562829945 /nfs/dbraw/zinc/82/99/45/562829945.db2.gz UINBBGMOCCFITL-UHFFFAOYSA-N 1 1 598.777 5.068 1 0 KKAFMO Cc1c(CCc2ccccc2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118094864 562830172 /nfs/dbraw/zinc/83/01/72/562830172.db2.gz OARHLWPNSNZLFK-UHFFFAOYSA-N 1 1 514.620 6.268 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789665 562830551 /nfs/dbraw/zinc/83/05/51/562830551.db2.gz FMWULHHMNFVCEP-ZLEIESQFSA-N 1 1 576.181 6.983 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789039 562830577 /nfs/dbraw/zinc/83/05/77/562830577.db2.gz JHUAOSPKENTLLI-AZRWZDCJSA-N 1 1 618.262 8.070 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCOCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118791960 562830613 /nfs/dbraw/zinc/83/06/13/562830613.db2.gz RSKLVMJITCOSKY-VOSQCMCKSA-N 1 1 549.111 6.598 1 0 KKAFMO O=C1CCN(CC(c2ccccc2)c2ccccc2)C[C@H]1C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000135885449 562831087 /nfs/dbraw/zinc/83/10/87/562831087.db2.gz IGFCCVGOXSJNQX-PSXMRANNSA-N 1 1 558.766 6.369 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cccc7ccccc76)CC5)C[C@@]43C)[C@@H]1CCC2=O ZINC000137890175 562831638 /nfs/dbraw/zinc/83/16/38/562831638.db2.gz URLIXSQMAXAGIC-QPDCKTOASA-N 1 1 625.854 5.540 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[N@@H+]2CC[C@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138961107 562832229 /nfs/dbraw/zinc/83/22/29/562832229.db2.gz PANUCCHSDROJBK-FREGXXQWSA-N 1 1 533.680 5.466 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[N@H+]2CC[C@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138961107 562832230 /nfs/dbraw/zinc/83/22/30/562832230.db2.gz PANUCCHSDROJBK-FREGXXQWSA-N 1 1 533.680 5.466 1 0 KKAFMO C[NH+](C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](NC(=O)c3cccc4nc[nH]c43)CC2)c1 ZINC000139543034 562832590 /nfs/dbraw/zinc/83/25/90/562832590.db2.gz SHSLIWBXBWXQAH-PLQXJYEYSA-N 1 1 622.701 5.795 1 0 KKAFMO Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140551864 562833155 /nfs/dbraw/zinc/83/31/55/562833155.db2.gz BFYZNAOKDWKLBO-BVAGGSTKSA-N 1 1 584.683 5.616 1 0 KKAFMO C[N@H+]1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140560930 562833179 /nfs/dbraw/zinc/83/31/79/562833179.db2.gz LBGJNSVXUMNZLY-HQDRYFOSSA-N 1 1 539.664 5.649 1 0 KKAFMO CC[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141390130 562833619 /nfs/dbraw/zinc/83/36/19/562833619.db2.gz SUMWDCGPFDCEIK-HQDRYFOSSA-N 1 1 539.664 5.649 1 0 KKAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2ncc(Br)n21 ZINC000143020232 562834490 /nfs/dbraw/zinc/83/44/90/562834490.db2.gz OEULVKFFXFWPQV-UHFFFAOYSA-N 1 1 592.505 5.647 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc([C@H]3CC[N@H+](C)C3)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144354491 562836133 /nfs/dbraw/zinc/83/61/33/562836133.db2.gz LGQOJDDTQJSHAG-SANMLTNESA-N 1 1 504.634 6.230 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957109 562837790 /nfs/dbraw/zinc/83/77/90/562837790.db2.gz QKCSOFLQSGMOTA-RBUKOAKNSA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957109 562837791 /nfs/dbraw/zinc/83/77/91/562837791.db2.gz QKCSOFLQSGMOTA-RBUKOAKNSA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2ccc(C)c3c2C(=O)CC3)n1 ZINC000145961496 562837818 /nfs/dbraw/zinc/83/78/18/562837818.db2.gz MSULTFPSAMYWKE-OAHLLOKOSA-N 1 1 590.002 5.565 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957773 562837865 /nfs/dbraw/zinc/83/78/65/562837865.db2.gz QKCSOFLQSGMOTA-OALUTQOASA-N 1 1 591.537 5.080 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@@H]2F)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145957773 562837866 /nfs/dbraw/zinc/83/78/66/562837866.db2.gz QKCSOFLQSGMOTA-OALUTQOASA-N 1 1 591.537 5.080 1 0 KKAFMO C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(N3CCC4(CCN(C(=O)Cc5ccccc5)CC4)C3=O)c(C(F)(F)F)c2)C1 ZINC000146066355 562838061 /nfs/dbraw/zinc/83/80/61/562838061.db2.gz JJNYCNLVKLXLOS-OZXSUGGESA-N 1 1 568.684 5.357 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786733 562839683 /nfs/dbraw/zinc/83/96/83/562839683.db2.gz YDTYYMZZBCKIOD-WXVAWEFUSA-N 1 1 538.627 5.198 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786733 562839684 /nfs/dbraw/zinc/83/96/84/562839684.db2.gz YDTYYMZZBCKIOD-WXVAWEFUSA-N 1 1 538.627 5.198 1 0 KKAFMO Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148200169 562840493 /nfs/dbraw/zinc/84/04/93/562840493.db2.gz PTOGDTYQTBVVES-UHFFFAOYSA-N 1 1 571.007 5.538 1 0 KKAFMO COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCC[N@@H+](C)CC4)nc32)c1 ZINC000148201160 562840526 /nfs/dbraw/zinc/84/05/26/562840526.db2.gz VHQWWJWIZHVKPG-UHFFFAOYSA-N 1 1 554.699 5.172 1 0 KKAFMO COc1c(C[NH+]2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc32)c1 ZINC000148346357 562841124 /nfs/dbraw/zinc/84/11/24/562841124.db2.gz IVVATWBFJNGGDC-QFIPXVFZSA-N 1 1 624.643 5.896 1 0 KKAFMO COc1cc(N2CC[NH+](C3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000148739447 562841747 /nfs/dbraw/zinc/84/17/47/562841747.db2.gz QSLMZWGPJXKPBS-UHFFFAOYSA-N 1 1 584.105 5.090 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000148839348 562841877 /nfs/dbraw/zinc/84/18/77/562841877.db2.gz IWFLCYONAPPRPA-DEOSSOPVSA-N 1 1 526.121 5.390 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148878762 562841883 /nfs/dbraw/zinc/84/18/83/562841883.db2.gz WSFCSRFSULFQNX-SANMLTNESA-N 1 1 508.106 6.433 1 0 KKAFMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 ZINC000150107728 562842856 /nfs/dbraw/zinc/84/28/56/562842856.db2.gz ABWDLWYDMCTIDD-BBVXKGOHSA-N 1 1 589.621 5.198 1 0 KKAFMO COc1ccc(-c2nc(C(=O)N3CC[NH+](CCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn32)cc1 ZINC000150523291 562843588 /nfs/dbraw/zinc/84/35/88/562843588.db2.gz XGWJOCNZJACPFP-MHZLTWQESA-N 1 1 650.780 5.346 1 0 KKAFMO COc1cc2c(cc1OCCCCC[NH+]1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523286 562843611 /nfs/dbraw/zinc/84/36/11/562843611.db2.gz SMKFILFPTNNSHI-MHZLTWQESA-N 1 1 688.751 6.356 1 0 KKAFMO CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)[NH+](C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150598513 562846868 /nfs/dbraw/zinc/84/68/68/562846868.db2.gz IUKDDNWJLHYBGC-ATUXXYJQSA-N 1 1 746.960 8.067 1 0 KKAFMO Cc1ccc(C[NH+]2C(C)(C)CC(=O)CC2(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000150604878 562847709 /nfs/dbraw/zinc/84/77/09/562847709.db2.gz PDSFICIBULILKV-UHFFFAOYSA-N 1 1 645.726 8.377 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000150616941 562848814 /nfs/dbraw/zinc/84/88/14/562848814.db2.gz QWLVQDXAULJUAE-ISJPQVSQSA-N 1 1 708.003 5.437 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccncc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166612711 562850470 /nfs/dbraw/zinc/85/04/70/562850470.db2.gz RDOJFQLFFRWLME-UHFFFAOYSA-N 1 1 500.610 5.418 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6cnccc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166612711 562850471 /nfs/dbraw/zinc/85/04/71/562850471.db2.gz RDOJFQLFFRWLME-UHFFFAOYSA-N 1 1 500.610 5.418 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293598 562852098 /nfs/dbraw/zinc/85/20/98/562852098.db2.gz HLMMHUFTDWSTBP-FGZHOGPDSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169293598 562852099 /nfs/dbraw/zinc/85/20/99/562852099.db2.gz HLMMHUFTDWSTBP-FGZHOGPDSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169293598 562852100 /nfs/dbraw/zinc/85/21/00/562852100.db2.gz HLMMHUFTDWSTBP-FGZHOGPDSA-N 1 1 504.631 5.159 1 0 KKAFMO C[C@@H]1C[N@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000169298197 562852658 /nfs/dbraw/zinc/85/26/58/562852658.db2.gz IYHGEKFCMCXIEF-PJUDRLTISA-N 1 1 624.810 6.132 1 0 KKAFMO C[C@@H]1C[N@@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000169298197 562852659 /nfs/dbraw/zinc/85/26/59/562852659.db2.gz IYHGEKFCMCXIEF-PJUDRLTISA-N 1 1 624.810 6.132 1 0 KKAFMO CC(C)CC[N@H+]1CCC[C@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300829 562852832 /nfs/dbraw/zinc/85/28/32/562852832.db2.gz SIZIBPAHPIUMOL-MXSCXNJPSA-N 1 1 536.713 5.421 1 0 KKAFMO O=C([C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C[C@H]1c1ccc(F)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306840 562853622 /nfs/dbraw/zinc/85/36/22/562853622.db2.gz YHHSAOLWFULNPC-SAIUNTKASA-N 1 1 553.121 6.956 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000169317519 562855972 /nfs/dbraw/zinc/85/59/72/562855972.db2.gz UZVLCYSJIDJZJW-GGXMVOPNSA-N 1 1 509.568 6.741 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCCc4ccccc43)n2)CC1 ZINC000169323814 562857186 /nfs/dbraw/zinc/85/71/86/562857186.db2.gz TUVMCWWCIWMGBE-UHFFFAOYSA-N 1 1 578.124 6.397 1 0 KKAFMO COc1cccc(Nc2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CC[NH+](C)CC3)n2)c1 ZINC000169323787 562857192 /nfs/dbraw/zinc/85/71/92/562857192.db2.gz VEJNPEIENDMOJY-UHFFFAOYSA-N 1 1 568.085 6.064 1 0 KKAFMO Clc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)c1 ZINC000169323777 562857214 /nfs/dbraw/zinc/85/72/14/562857214.db2.gz UMICBQBSKOOTHJ-UHFFFAOYSA-N 1 1 616.557 7.092 1 0 KKAFMO O[C@H](c1ccccc1)[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330922 562858806 /nfs/dbraw/zinc/85/88/06/562858806.db2.gz KTWPPHPCLMIACC-AJQTZOPKSA-N 1 1 513.081 6.512 1 0 KKAFMO O[C@@H](c1ccccc1)[C@H](c1ccccc1Cl)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000169330921 562858865 /nfs/dbraw/zinc/85/88/65/562858865.db2.gz KTWPPHPCLMIACC-ACHIHNKUSA-N 1 1 513.081 6.512 1 0 KKAFMO CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](c2ccccc2)C[N@H+](C)CC3)ncc1Cl ZINC000169345213 562861584 /nfs/dbraw/zinc/86/15/84/562861584.db2.gz IMLPTVNOQPZHSM-XMMPIXPASA-N 1 1 513.045 5.597 1 0 KKAFMO CCOC(=O)/C=C/C(=O)Nc1ccc(CCC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 ZINC000169346319 562861759 /nfs/dbraw/zinc/86/17/59/562861759.db2.gz WFMCMNBWSBPEOJ-WFLHTDTDSA-N 1 1 502.655 5.141 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350400 562862784 /nfs/dbraw/zinc/86/27/84/562862784.db2.gz XKTCLUMXLWSCMM-UHFFFAOYSA-N 1 1 652.727 5.298 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350402 562862820 /nfs/dbraw/zinc/86/28/20/562862820.db2.gz FSTYDHPHNAHVOZ-UHFFFAOYSA-N 1 1 720.724 6.317 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350738 562862926 /nfs/dbraw/zinc/86/29/26/562862926.db2.gz ZJCUQDMGHWMKKH-UHFFFAOYSA-N 1 1 674.129 6.036 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](C2CCCC2)C1=O ZINC000169371779 562864812 /nfs/dbraw/zinc/86/48/12/562864812.db2.gz KKFBTFCVHZOBSO-IGKIAQTJSA-N 1 1 502.655 5.258 1 0 KKAFMO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(OCC(F)F)c(C(=O)Nc4ccc(Br)cc4)cc3[nH]2)c1Cl ZINC000169703054 562868559 /nfs/dbraw/zinc/86/85/59/562868559.db2.gz OXGJBJAIDJVDRS-UHFFFAOYSA-N 1 1 669.354 7.934 1 0 KKAFMO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCCc1cnc(Nc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc3OC(F)(F)F)nc1-2 ZINC000169710804 562870721 /nfs/dbraw/zinc/87/07/21/562870721.db2.gz LHBGRGUYBLISKG-UHFFFAOYSA-N 1 1 690.771 6.163 1 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000198683378 562872821 /nfs/dbraw/zinc/87/28/21/562872821.db2.gz OXCAKDYULKMTMJ-AECJBDNTSA-N 1 1 623.823 5.516 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cn(C)nc4[C@@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430336 562874508 /nfs/dbraw/zinc/87/45/08/562874508.db2.gz GNPHQNSDIUTJNI-JOCHJYFZSA-N 1 1 514.678 5.079 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4[C@@H]4CCC[N@H+](C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1 ZINC000204428410 562874512 /nfs/dbraw/zinc/87/45/12/562874512.db2.gz DBPAOJPBWIKHNC-HXUWFJFHSA-N 1 1 532.668 5.218 1 0 KKAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn21 ZINC000205490696 562875429 /nfs/dbraw/zinc/87/54/29/562875429.db2.gz KXBWZMRHGBHBBY-UHFFFAOYSA-N 1 1 591.683 5.342 1 0 KKAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(CC3CCC3)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000205713762 562875730 /nfs/dbraw/zinc/87/57/30/562875730.db2.gz YLMLIGQSERHTRT-UHFFFAOYSA-N 1 1 612.815 5.515 1 0 KKAFMO CCCCN(c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205716545 562875769 /nfs/dbraw/zinc/87/57/69/562875769.db2.gz QKFFVTNZMDBZML-UHFFFAOYSA-N 1 1 600.804 5.515 1 0 KKAFMO Clc1ccc(Oc2ccc3nc(-c4ccc(OCCC[NH+]5CCN(c6ncccn6)CC5)cc4)oc3c2)cc1 ZINC000206749842 562876496 /nfs/dbraw/zinc/87/64/96/562876496.db2.gz HQOKWOFVDAXSTM-UHFFFAOYSA-N 1 1 542.039 6.322 1 0 KKAFMO CC(C)C(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000215726902 562877409 /nfs/dbraw/zinc/87/74/09/562877409.db2.gz PMQCQMRHYRVPLT-UHFFFAOYSA-N 1 1 510.053 6.551 1 0 KKAFMO CNc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)cn21 ZINC000216212803 562877456 /nfs/dbraw/zinc/87/74/56/562877456.db2.gz ONLWOOCHZYUXQV-UHFFFAOYSA-N 1 1 541.663 5.501 1 0 KKAFMO Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)N2CC[NH+](C)CC2)c1C ZINC000221770611 562879241 /nfs/dbraw/zinc/87/92/41/562879241.db2.gz WHFSMZKXLXPCLA-ULJHMMPZSA-N 1 1 521.621 5.142 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)CCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000222696288 562879903 /nfs/dbraw/zinc/87/99/03/562879903.db2.gz BLKXVCWYCNHAQF-GQMWKWPKSA-N 1 1 525.052 6.002 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000253655797 562882639 /nfs/dbraw/zinc/88/26/39/562882639.db2.gz JZQUTVIGHZYROK-YWUIXBFKSA-N 1 1 590.652 7.986 1 0 KKAFMO FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Br)cc1)n2C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000299829582 562884924 /nfs/dbraw/zinc/88/49/24/562884924.db2.gz KKOHYZNXDFBNAQ-PGRDOPGGSA-N 1 1 506.410 6.673 1 0 KKAFMO O=C(NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2c1CCCC2)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 ZINC000299832150 562885763 /nfs/dbraw/zinc/88/57/63/562885763.db2.gz SCHXMKVUYVNKRR-UHFFFAOYSA-N 1 1 680.724 10.176 1 0 KKAFMO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000299833431 562886173 /nfs/dbraw/zinc/88/61/73/562886173.db2.gz KWXMQTBCHHHLEA-SFHVURJKSA-N 1 1 553.503 5.195 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C(F)(F)F)cc1F ZINC000299836583 562887241 /nfs/dbraw/zinc/88/72/41/562887241.db2.gz NSBBTNXMJRENKO-UHFFFAOYSA-N 1 1 715.655 6.321 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc32)cc1F ZINC000299839131 562888105 /nfs/dbraw/zinc/88/81/05/562888105.db2.gz QFNRFNQJUZQSKG-UHFFFAOYSA-N 1 1 754.613 6.990 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1F ZINC000299839847 562888336 /nfs/dbraw/zinc/88/83/36/562888336.db2.gz ZRHBIYUNDWMKDW-UHFFFAOYSA-N 1 1 680.659 6.436 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@H]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000299846116 562889628 /nfs/dbraw/zinc/88/96/28/562889628.db2.gz JVGYQPLXCUBDBY-VEEOACQBSA-N 1 1 640.821 7.838 1 0 KKAFMO Cc1cc(C)c(Oc2cc(NC3CC[NH+](Cc4ccc(Br)cc4)CC3)nc3ncnn32)c(C)c1 ZINC000299865064 562894287 /nfs/dbraw/zinc/89/42/87/562894287.db2.gz NCEADBQFAOVJSE-UHFFFAOYSA-N 1 1 521.463 5.681 1 0 KKAFMO Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CC[N@H+](CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2 ZINC000299866484 562894678 /nfs/dbraw/zinc/89/46/78/562894678.db2.gz VXBHWQCEDNMXSE-KYJUHHDHSA-N 1 1 509.612 7.161 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870702 562895503 /nfs/dbraw/zinc/89/55/03/562895503.db2.gz WTJKCICBNUJUCD-LABVJWKOSA-N 1 1 608.138 5.826 1 0 KKAFMO CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccc(N)cc54)cc3)cc2)cc1 ZINC000377819973 562896206 /nfs/dbraw/zinc/89/62/06/562896206.db2.gz OTXLIPAOSRLZBT-UHFFFAOYSA-N 1 1 530.676 6.562 1 0 KKAFMO CCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848916 562896480 /nfs/dbraw/zinc/89/64/80/562896480.db2.gz FKJQBAZXCDGLHA-UHFFFAOYSA-N 1 1 517.637 5.364 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(OC)ccc2O1 ZINC000473085553 562896980 /nfs/dbraw/zinc/89/69/80/562896980.db2.gz XUVUTNUZTQKSEA-MUUNZHRXSA-N 1 1 558.038 5.413 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473085578 562896986 /nfs/dbraw/zinc/89/69/86/562896986.db2.gz YESHBHGRWOXDSI-MHZLTWQESA-N 1 1 562.457 6.058 1 0 KKAFMO CC[N@@H+](CCCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473112318 562898704 /nfs/dbraw/zinc/89/87/04/562898704.db2.gz DNPXQEQJXMUBMQ-UHFFFAOYSA-N 1 1 547.648 6.176 1 0 KKAFMO CC[N@@H+](CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1OC ZINC000473115017 562898987 /nfs/dbraw/zinc/89/89/87/562898987.db2.gz QPBMWAWFSURVQQ-UHFFFAOYSA-N 1 1 533.621 5.785 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 ZINC000473115886 562899076 /nfs/dbraw/zinc/89/90/76/562899076.db2.gz VDWJWMFMUHNIFR-UHFFFAOYSA-N 1 1 519.594 5.482 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136164 562900930 /nfs/dbraw/zinc/90/09/30/562900930.db2.gz NMZKUZFCZYLPLW-IWUIRIORSA-N 1 1 571.146 7.433 1 0 KKAFMO CCC(=O)c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473183376 562903618 /nfs/dbraw/zinc/90/36/18/562903618.db2.gz VGEVVJRLSYQMSB-XGAFWQRZSA-N 1 1 510.053 6.481 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)NCC[NH+](C)C)CC1 ZINC000473197797 562903682 /nfs/dbraw/zinc/90/36/82/562903682.db2.gz FYCWVFLHMCMZRF-IRJFHVNHSA-N 1 1 543.495 5.187 1 0 KKAFMO C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197784 562903713 /nfs/dbraw/zinc/90/37/13/562903713.db2.gz FMOQEUSSKGBLAW-ATZDWAIDSA-N 1 1 557.522 5.751 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3)c(=O)n2C)cc1F ZINC000474604611 562905318 /nfs/dbraw/zinc/90/53/18/562905318.db2.gz DIKIYXVXEHVPSL-UHFFFAOYSA-N 1 1 654.743 5.241 1 0 KKAFMO CN1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@@H]4S3)cc2)CC1 ZINC000474607086 562905443 /nfs/dbraw/zinc/90/54/43/562905443.db2.gz JDWTWPKCJRCHIA-POURPWNDSA-N 1 1 640.206 5.762 1 0 KKAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Cl)cc4)C(C)(C)C)ccc3C2)cc1 ZINC000474609714 562905631 /nfs/dbraw/zinc/90/56/31/562905631.db2.gz TUEDGBXWMGGZLJ-UHFFFAOYSA-N 1 1 554.156 5.426 1 0 KKAFMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(CC)c5c(-c5ccc(OC)c(OC)c5)n4)CC3)nc(-c3ccc(OC)c(OC)c3)c21 ZINC000653714696 562908389 /nfs/dbraw/zinc/90/83/89/562908389.db2.gz BKLIUCRGSNGYJI-UHFFFAOYSA-N 1 1 774.966 9.418 1 0 KKAFMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(CC)c5c(-c5ccccc5)n4)CC3)nc(-c3ccccc3)c21 ZINC000653714726 562908430 /nfs/dbraw/zinc/90/84/30/562908430.db2.gz HAIJGKIDDVBBRZ-UHFFFAOYSA-N 1 1 654.862 9.384 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4cccc5ccccc54)nn3)cc1)CC2 ZINC000653717554 562908591 /nfs/dbraw/zinc/90/85/91/562908591.db2.gz SGPWZZSFPDVBTN-UHFFFAOYSA-N 1 1 520.633 5.618 1 0 KKAFMO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(-c4cccs4)n3)ccc2n1Cc1ccccc1 ZINC000653803678 562913552 /nfs/dbraw/zinc/91/35/52/562913552.db2.gz JDJVYRWPSQZWIP-UHFFFAOYSA-N 1 1 507.598 6.933 1 0 KKAFMO C[C@H](Oc1ccc2[nH]nc(-c3nc4ccc(C5CC[NH+](C)CC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823837 562914325 /nfs/dbraw/zinc/91/43/25/562914325.db2.gz NUMZOUWDKZZHAY-HNNXBMFYSA-N 1 1 521.452 6.757 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)cc2)CC1 ZINC000653852932 562915600 /nfs/dbraw/zinc/91/56/00/562915600.db2.gz OXKQANQTNWDZFT-UHFFFAOYSA-N 1 1 510.682 5.455 1 0 KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3N(C)CC2 ZINC000042835355 565111290 /nfs/dbraw/zinc/11/12/90/565111290.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 1 1 608.735 6.440 1 0 biogenic,in-vivo KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3N(C)CC2 ZINC000042835355 565111297 /nfs/dbraw/zinc/11/12/97/565111297.db2.gz MNNXIEANPHEHSB-WDYNHAJCSA-N 1 1 608.735 6.440 1 0 biogenic,in-vivo KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[N@H+](C)CC5)OCO4)CCN1C ZINC000085541022 565139036 /nfs/dbraw/zinc/13/90/36/565139036.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 1 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)[N@@H+](C)CC5)OCO4)CCN1C ZINC000085541022 565139039 /nfs/dbraw/zinc/13/90/39/565139039.db2.gz YPVVVGJEVFEYOG-FQLXRVMXSA-N 1 1 666.771 6.891 1 0 biogenic,in-vitro KKAFMO COc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)[nH+]c5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568383 565143580 /nfs/dbraw/zinc/14/35/80/565143580.db2.gz DGVTZBITOWZYPV-XGKWJFTRSA-N 1 1 638.717 5.696 1 0 biogenic,in-vitro KKAFMO C[C@H](Cc1ccccc1)[C@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c2)CC1 ZINC000085631985 565166011 /nfs/dbraw/zinc/16/60/11/565166011.db2.gz HTMMQQPXNUFRME-AOVAQVGJSA-N 1 1 638.873 7.399 1 0 biogenic,in-vitro KKAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[C@@H](C)[C@]4(C)Cc3ccc(O)cc3)c1)[N@@H+](C)CC2 ZINC000085648346 565169451 /nfs/dbraw/zinc/16/94/51/565169451.db2.gz DCYYXGAGWFONJI-QRMOXYPWSA-N 1 1 623.790 7.770 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3N(C)CC2 ZINC000095909554 565175494 /nfs/dbraw/zinc/17/54/94/565175494.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 1 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@@H]3N(C)CC2 ZINC000095909554 565175499 /nfs/dbraw/zinc/17/54/99/565175499.db2.gz MNNXIEANPHEHSB-VMPREFPWSA-N 1 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMO COc1ccccc1Cc1nc2cc(-c3nn(C4CCC(C5CC[NH+](C)CC5)CC4)c4ncnc(N)c34)ccc2[nH]1 ZINC000049777851 581096124 /nfs/dbraw/zinc/09/61/24/581096124.db2.gz OBDZFXLPCBGQSA-UHFFFAOYSA-N 1 1 550.711 5.624 1 0 KKAFMO CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c2)CC1 ZINC000085631991 291944389 /nfs/dbraw/zinc/94/43/89/291944389.db2.gz IUNZVPQEMJBDOR-QZADQVKKSA-N 1 1 548.748 5.930 1 0 biogenic,in-vitro KKAFMO CN(C)C(=O)C1([NH+]2CCCCC2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1 ZINC000003990362 561693341 /nfs/dbraw/zinc/69/33/41/561693341.db2.gz RVQZVVJLIUXDPN-YTTGMZPUSA-N 1 1 601.619 5.160 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3[nH]c4ccccc4c3C(C)C)cc2)cc1OC ZINC000003996017 561693747 /nfs/dbraw/zinc/69/37/47/561693747.db2.gz KWAAABBJIYOBAJ-UHFFFAOYSA-N 1 1 550.721 6.085 1 0 KKAFMO C[NH+]1CCc2cc(O)c3cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CC[N@@H+]1C ZINC000005888494 561699925 /nfs/dbraw/zinc/69/99/25/561699925.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000005888494 561699926 /nfs/dbraw/zinc/69/99/26/561699926.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000005888494 561699927 /nfs/dbraw/zinc/69/99/27/561699927.db2.gz KLAOLTDJIRTAEJ-KAYWLYCHSA-N 1 1 578.665 6.268 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1 ZINC000013451539 561713512 /nfs/dbraw/zinc/71/35/12/561713512.db2.gz QRENGZQQNFRNRN-UHFFFAOYSA-N 1 1 520.695 5.848 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000008585127 561705861 /nfs/dbraw/zinc/70/58/61/561705861.db2.gz RTXHEHJHOFHRFX-OWGSQAEBSA-N 1 1 505.702 7.542 3 0 KKAFMO Cc1ccc(-n2ncc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597797 561706280 /nfs/dbraw/zinc/70/62/80/561706280.db2.gz POMNMXRQIMAENN-UHFFFAOYSA-N 1 1 557.739 5.392 1 0 KKAFMO Cc1ccc(-n2ncc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597797 561706282 /nfs/dbraw/zinc/70/62/82/561706282.db2.gz POMNMXRQIMAENN-UHFFFAOYSA-N 1 1 557.739 5.392 1 0 KKAFMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccccc2)CC1 ZINC000008597850 561706327 /nfs/dbraw/zinc/70/63/27/561706327.db2.gz XKTWSUHRSKEVKI-UHFFFAOYSA-N 1 1 543.712 5.165 1 0 KKAFMO O=S(=O)(NCCN1CCC(C[NH2+][C@H]2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc21 ZINC000013439463 561712335 /nfs/dbraw/zinc/71/23/35/561712335.db2.gz PPVPMIUFXSUMPV-MHZLTWQESA-N 1 1 526.146 5.021 1 0 KKAFMO Nc1ccc2c(c1)-c1c(cccc1C(=O)NCCCC[NH+]1CCN(c3cccc(Cl)c3Cl)CC1)C2 ZINC000013534376 561717767 /nfs/dbraw/zinc/71/77/67/561717767.db2.gz PEMDADNXFPDJPI-UHFFFAOYSA-N 1 1 509.481 5.479 1 0 KKAFMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](CC[C@@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013534615 561717931 /nfs/dbraw/zinc/71/79/31/561717931.db2.gz CWPYEAPHWBNCJQ-BJKOFHAPSA-N 1 1 518.529 5.820 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(OC)cc1 ZINC000013661251 561723462 /nfs/dbraw/zinc/72/34/62/561723462.db2.gz MJJIHQACZGUMQB-GJZUVCINSA-N 1 1 521.698 6.805 3 0 KKAFMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013733941 561725419 /nfs/dbraw/zinc/72/54/19/561725419.db2.gz UGOMNHAPORMLNW-HDICACEKSA-N 1 1 522.325 6.113 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5cc(Oc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013780469 561729178 /nfs/dbraw/zinc/72/91/78/561729178.db2.gz OOLKCFWNZIVZNS-SSHYCOHZSA-N 1 1 506.602 5.365 1 0 KKAFMO COc1ccc(OCC[N@@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781688 561729500 /nfs/dbraw/zinc/72/95/00/561729500.db2.gz YMJMLBOAWZAJFV-MUUNZHRXSA-N 1 1 528.759 5.971 1 0 KKAFMO C[N@@H+](CCOc1ccc2c(c1)OCO2)CCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000013799742 561730360 /nfs/dbraw/zinc/73/03/60/561730360.db2.gz KTZFWUUKOUWTMJ-HHHXNRCGSA-N 1 1 528.715 5.301 1 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(cccc2OS(C)(=O)=O)C1 ZINC000013909972 561735624 /nfs/dbraw/zinc/73/56/24/561735624.db2.gz HYHZGIWTSKSXKP-NDEPHWFRSA-N 1 1 534.722 5.472 1 0 KKAFMO CC(=O)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000014191824 561737637 /nfs/dbraw/zinc/73/76/37/561737637.db2.gz HQPISMGZXLHBTG-LXQNXJGFSA-N 1 1 560.774 5.129 1 0 KKAFMO CC(=O)N(C[C@@H](C1CCCCC1)N1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C ZINC000014191824 561737638 /nfs/dbraw/zinc/73/76/38/561737638.db2.gz HQPISMGZXLHBTG-LXQNXJGFSA-N 1 1 560.774 5.129 1 0 KKAFMO Clc1cc(Cl)c2c(c1)nc1c(c2NCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000014947266 561744554 /nfs/dbraw/zinc/74/45/54/561744554.db2.gz YXYXCYQIHJLUHU-UHFFFAOYSA-N 1 1 561.601 9.322 1 0 KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[N@H+]4CC[C@@H](O)C4)cc3F)cc12 ZINC000014951156 561746000 /nfs/dbraw/zinc/74/60/00/561746000.db2.gz HQBRJIGJLJDFHY-LJQANCHMSA-N 1 1 580.542 5.240 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1 ZINC000014965246 561749499 /nfs/dbraw/zinc/74/94/99/561749499.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 1 1 540.546 5.345 1 0 KKAFMO CNC(=O)c1cc(Oc2ccc3[nH]c(Nc4ccc(C(F)(F)F)c(OC[C@H]5CCC[N@H+]5C)c4)nc3c2)ccn1 ZINC000014965246 561749500 /nfs/dbraw/zinc/74/95/00/561749500.db2.gz CNFXCXPJZGOMBX-QGZVFWFLSA-N 1 1 540.546 5.345 1 0 KKAFMO O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017527432 561755413 /nfs/dbraw/zinc/75/54/13/561755413.db2.gz CUADRWDCEMJIGI-OFSOJUDTSA-N 1 1 566.620 5.473 3 0 KKAFMO c1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545650 561755926 /nfs/dbraw/zinc/75/59/26/561755926.db2.gz HBTGLPUBYGXXKT-YWXNZHFBSA-N 1 1 517.716 9.042 3 0 KKAFMO FC(F)(F)c1cc(COC[C@@H](c2ccccc2)[NH+]2CCN(Cc3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC000022927004 561759691 /nfs/dbraw/zinc/75/96/91/561759691.db2.gz CUTMHNXVJPFDHF-VWLOTQADSA-N 1 1 523.521 6.195 1 0 KKAFMO Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000026152474 561767758 /nfs/dbraw/zinc/76/77/58/561767758.db2.gz LNGXWTLFKRGUFX-UHFFFAOYSA-N 1 1 582.651 5.674 1 0 KKAFMO Cc1ccnc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941914 561761265 /nfs/dbraw/zinc/76/12/65/561761265.db2.gz DTKUANPECHGGBY-UNMCSNQZSA-N 1 1 502.625 5.479 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccccc4)nc3n2)CC1 ZINC000023357766 561761638 /nfs/dbraw/zinc/76/16/38/561761638.db2.gz QEXJMEVOCZLJQX-UHFFFAOYSA-N 1 1 565.509 5.692 1 0 KKAFMO COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026007954 561765738 /nfs/dbraw/zinc/76/57/38/561765738.db2.gz ZVZCAHSTXUVAQV-UHFFFAOYSA-N 1 1 604.534 6.567 1 0 KKAFMO COc1ccccc1C[NH2+]CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026250144 561773907 /nfs/dbraw/zinc/77/39/07/561773907.db2.gz CYSAQAWEGRPUEE-UHFFFAOYSA-N 1 1 612.819 5.849 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270502 561777149 /nfs/dbraw/zinc/77/71/49/561777149.db2.gz JAPKDYAEBPSGFI-WJOKGBTCSA-N 1 1 519.707 7.193 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCCC[C@H](Sc1ccc(C)cc1)c1ccc(F)cc1)CC2 ZINC000026275489 561778162 /nfs/dbraw/zinc/77/81/62/561778162.db2.gz BPCHCQPFSUPHAR-HKBQPEDESA-N 1 1 507.715 7.994 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(O)cc1 ZINC000026282091 561779189 /nfs/dbraw/zinc/77/91/89/561779189.db2.gz JLYJMHQUIUPIOV-KYJUHHDHSA-N 1 1 573.734 5.100 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(Br)c(C)n3Cc2ccccc2F)cc1 ZINC000026283139 561779447 /nfs/dbraw/zinc/77/94/47/561779447.db2.gz SOFAXADMIXDRMO-UHFFFAOYSA-N 1 1 590.497 5.499 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(Br)c(C)n3Cc2ccccc2F)cc1 ZINC000026283139 561779448 /nfs/dbraw/zinc/77/94/48/561779448.db2.gz SOFAXADMIXDRMO-UHFFFAOYSA-N 1 1 590.497 5.499 1 0 KKAFMO COc1ccc(-c2nc3n(c2CN2CCC[N@@H+](C)CC2)c(=O)c(-c2ccc4c(c2)OCO4)c(C)n3Cc2ccccc2F)cc1 ZINC000026283916 561779577 /nfs/dbraw/zinc/77/95/77/561779577.db2.gz HHIWRTNTGVLRPY-UHFFFAOYSA-N 1 1 609.702 5.201 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2ccccc2OC)c(C)n3Cc2ccccc2F)cc1 ZINC000026287145 561779881 /nfs/dbraw/zinc/77/98/81/561779881.db2.gz OHEZFUAUBJRFCQ-UHFFFAOYSA-N 1 1 617.725 6.413 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2ccccc2OC)c(C)n3Cc2ccccc2F)cc1 ZINC000026287145 561779883 /nfs/dbraw/zinc/77/98/83/561779883.db2.gz OHEZFUAUBJRFCQ-UHFFFAOYSA-N 1 1 617.725 6.413 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000026289084 561780237 /nfs/dbraw/zinc/78/02/37/561780237.db2.gz KUDRWBVGSLDDLB-UHFFFAOYSA-N 1 1 624.717 5.335 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)OCC)cn3Cc2ccccc2F)cc1 ZINC000026289084 561780239 /nfs/dbraw/zinc/78/02/39/561780239.db2.gz KUDRWBVGSLDDLB-UHFFFAOYSA-N 1 1 624.717 5.335 1 0 KKAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)([N@@H+]2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466845 561789861 /nfs/dbraw/zinc/78/98/61/561789861.db2.gz JBVORPHTFJNKFO-FNZWTVRRSA-N 1 1 543.678 5.654 1 0 KKAFMO Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CC[N@H+]([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000026466845 561789863 /nfs/dbraw/zinc/78/98/63/561789863.db2.gz JBVORPHTFJNKFO-FNZWTVRRSA-N 1 1 543.678 5.654 1 0 KKAFMO O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(CCc1ccc(F)cc1)Cc1cnc[nH]1 ZINC000026653536 561808884 /nfs/dbraw/zinc/80/88/84/561808884.db2.gz YLAGBKMELLGWRV-UHFFFAOYSA-N 1 1 561.510 5.622 1 0 KKAFMO CCCCc1cn(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(CCCC)[nH+]1 ZINC000026577064 561801015 /nfs/dbraw/zinc/80/10/15/561801015.db2.gz ILRRJRJUNNUFQM-UHFFFAOYSA-N 1 1 656.878 9.777 1 0 KKAFMO Cc1cc(N(C)C)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)nc4)c3Cl)c2[nH+]1 ZINC000026640935 561806611 /nfs/dbraw/zinc/80/66/11/561806611.db2.gz NTGTVDFDGYFWBP-RVDMUPIBSA-N 1 1 649.579 5.384 1 0 KKAFMO Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NC(=O)c5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000026644050 561807224 /nfs/dbraw/zinc/80/72/24/561807224.db2.gz ANUKLJHLXUTQKD-LFIBNONCSA-N 1 1 737.688 7.859 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(CNc2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026717599 561814501 /nfs/dbraw/zinc/81/45/01/561814501.db2.gz UWYFMMJVKGSYOY-UHFFFAOYSA-N 1 1 500.046 6.668 1 0 KKAFMO COc1cc(CC(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000026846818 561826617 /nfs/dbraw/zinc/82/66/17/561826617.db2.gz STZNIAPDQODKPV-PMERELPUSA-N 1 1 669.650 5.228 1 0 KKAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CC[NH+](Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848200 561826899 /nfs/dbraw/zinc/82/68/99/561826899.db2.gz KIZBDFRCUJNMND-LJAQVGFWSA-N 1 1 582.576 5.218 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993620 561832790 /nfs/dbraw/zinc/83/27/90/561832790.db2.gz IBLUYABUHMLNBC-JTZWTTIBSA-N 1 1 708.929 5.619 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993620 561832791 /nfs/dbraw/zinc/83/27/91/561832791.db2.gz IBLUYABUHMLNBC-JTZWTTIBSA-N 1 1 708.929 5.619 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@H+](C)CCc3ccccn3)n2c1=O ZINC000027088328 561836724 /nfs/dbraw/zinc/83/67/24/561836724.db2.gz BESXPIQHJIJZFU-UHFFFAOYSA-N 1 1 628.720 6.376 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027088328 561836725 /nfs/dbraw/zinc/83/67/25/561836725.db2.gz BESXPIQHJIJZFU-UHFFFAOYSA-N 1 1 628.720 6.376 1 0 KKAFMO O[C@]12Cc3c4ccccc4[nH]c3[C@@H]3Oc4c5c(ccc4OCCc4ccccc4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027095583 561837979 /nfs/dbraw/zinc/83/79/79/561837979.db2.gz VQQDNJPWCBDBIN-XZLGBSMGSA-N 1 1 518.657 5.489 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191937 561843610 /nfs/dbraw/zinc/84/36/10/561843610.db2.gz FOXVBEONEKPPOA-UHFFFAOYSA-N 1 1 594.687 6.422 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OC(C)(C)C)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4OC)CC3)c2)C1C(=O)OC ZINC000027209544 561846801 /nfs/dbraw/zinc/84/68/01/561846801.db2.gz PNVVVECFORQGCG-YTOFDDCBSA-N 1 1 633.790 5.619 1 0 KKAFMO Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027519433 561863047 /nfs/dbraw/zinc/86/30/47/561863047.db2.gz QHHGCBRDJMDQEW-DHLKQENFSA-N 1 1 579.711 6.541 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027549312 561867642 /nfs/dbraw/zinc/86/76/42/561867642.db2.gz XQPITIPYGHBCQW-NDEPHWFRSA-N 1 1 553.650 5.174 1 0 KKAFMO CCOC(=O)c1c[nH+]c2cc(OC)c(OC)cc2c1N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000027551252 561868074 /nfs/dbraw/zinc/86/80/74/561868074.db2.gz OXQANJZLBBDTKW-UHFFFAOYSA-N 1 1 556.619 5.575 1 0 KKAFMO CCSc1ccc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027655886 561877572 /nfs/dbraw/zinc/87/75/72/561877572.db2.gz MMGASXVPDCANQY-BMRADRMJSA-N 1 1 514.739 5.510 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4n3)cc1)CC2 ZINC000027704400 561878526 /nfs/dbraw/zinc/87/85/26/561878526.db2.gz WZBUOTYBWCZPCQ-UHFFFAOYSA-N 1 1 587.680 5.752 1 0 KKAFMO CCCCCOc1ccc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705440 561878600 /nfs/dbraw/zinc/87/86/00/561878600.db2.gz YZEJKUXYDBJSNK-HTXNQAPBSA-N 1 1 540.752 5.967 1 0 KKAFMO [NH3+]CCCN(Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000027717208 561880261 /nfs/dbraw/zinc/88/02/61/561880261.db2.gz PDBMPZLMVGWXIV-UHFFFAOYSA-N 1 1 604.405 8.809 1 0 KKAFMO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027733512 561881554 /nfs/dbraw/zinc/88/15/54/561881554.db2.gz RQMJGCSUBDMHRC-JOCHJYFZSA-N 1 1 612.146 5.384 1 0 KKAFMO CCN(CCCCC1CC[NH+](CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1 ZINC000027891080 561889823 /nfs/dbraw/zinc/88/98/23/561889823.db2.gz PYTIEHIIMNFIHE-UHFFFAOYSA-N 1 1 664.588 6.566 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@@H+](C2CCN(C(=O)c3ccccc3COC(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027891894 561889903 /nfs/dbraw/zinc/88/99/03/561889903.db2.gz FRZUCMHFCDFAEM-WDYNHAJCSA-N 1 1 709.865 5.977 1 0 KKAFMO C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CC[N@H+](C2CCN(C(=O)c3ccccc3COC(=O)c3ccccc3)CC2)C[C@H]1C ZINC000027891894 561889905 /nfs/dbraw/zinc/88/99/05/561889905.db2.gz FRZUCMHFCDFAEM-WDYNHAJCSA-N 1 1 709.865 5.977 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CCC(C)(C)C ZINC000028005339 561895375 /nfs/dbraw/zinc/89/53/75/561895375.db2.gz GZRNNHCCNOMIAZ-NSOVKSMOSA-N 1 1 551.772 5.631 1 0 KKAFMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)OCc1ccccc1 ZINC000028005822 561895523 /nfs/dbraw/zinc/89/55/23/561895523.db2.gz NVGYFAPGGPROBP-RSDZPJTLSA-N 1 1 643.832 7.391 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028006360 561895642 /nfs/dbraw/zinc/89/56/42/561895642.db2.gz RPCZLCGFLIHYAS-MRPJDYLLSA-N 1 1 579.160 6.798 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCCc2ccc(OC)c(OC)c2OC)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028009828 561896269 /nfs/dbraw/zinc/89/62/69/561896269.db2.gz NICFFCSRVUXGOH-MGBGTMOVSA-N 1 1 594.774 6.602 1 0 KKAFMO CCn1nc(CCc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028011839 561896504 /nfs/dbraw/zinc/89/65/04/561896504.db2.gz DXAUQEOHONCARU-FFPQSLRISA-N 1 1 600.823 6.756 1 0 KKAFMO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013628 561896802 /nfs/dbraw/zinc/89/68/02/561896802.db2.gz YTYBDTOBXSWUBR-XXSKFNENSA-N 1 1 638.828 7.429 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028015674 561897293 /nfs/dbraw/zinc/89/72/93/561897293.db2.gz DYYAUPMKHPMGJX-SCBPGGBZSA-N 1 1 616.822 6.568 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016648 561897469 /nfs/dbraw/zinc/89/74/69/561897469.db2.gz NYXHSNJGOQCTBS-MQMFKJKRSA-N 1 1 644.754 6.926 1 0 KKAFMO CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018261 561897869 /nfs/dbraw/zinc/89/78/69/561897869.db2.gz SXKNFGNGCSTXQU-HBBZNRFGSA-N 1 1 662.894 8.228 1 0 KKAFMO CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028021351 561898513 /nfs/dbraw/zinc/89/85/13/561898513.db2.gz LDTUIPCDYVXKIB-AUFCLJJTSA-N 1 1 618.838 6.814 1 0 KKAFMO CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086017 561898983 /nfs/dbraw/zinc/89/89/83/561898983.db2.gz OTAQHXMWYBKCMQ-FAQYSXNFSA-N 1 1 630.849 6.959 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086192 561899129 /nfs/dbraw/zinc/89/91/29/561899129.db2.gz NYXHSNJGOQCTBS-KLTPPHAJSA-N 1 1 644.754 6.926 1 0 KKAFMO CCn1nc(Cc2ccc(F)c(F)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087170 561899239 /nfs/dbraw/zinc/89/92/39/561899239.db2.gz KEJUVQKLDUSQJY-AAMSNGAJSA-N 1 1 582.711 5.915 1 0 KKAFMO CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087288 561899390 /nfs/dbraw/zinc/89/93/90/561899390.db2.gz NDWYKTGTDRMPDY-QOCRQHEPSA-N 1 1 658.781 6.968 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088257 561899563 /nfs/dbraw/zinc/89/95/63/561899563.db2.gz KXTISGVXSYBLGP-MQMFKJKRSA-N 1 1 626.764 6.629 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099409 561901330 /nfs/dbraw/zinc/90/13/30/561901330.db2.gz HLZAJLBSYWFNOU-DDEBSJFKSA-N 1 1 666.882 7.606 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000028106008 561902305 /nfs/dbraw/zinc/90/23/05/561902305.db2.gz BGOXVMFCSBFTSC-JYFHCDHNSA-N 1 1 584.602 6.267 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028122913 561904667 /nfs/dbraw/zinc/90/46/67/561904667.db2.gz MSTVZNMCSCYCDP-HTGHOQDLSA-N 1 1 559.776 5.168 1 0 KKAFMO CC(C)c1ccc(Oc2ccc(NC(=O)N[C@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028334985 561913216 /nfs/dbraw/zinc/91/32/16/561913216.db2.gz AKCNXMUAPPMEEU-SSEXGKCCSA-N 1 1 544.696 5.174 1 0 KKAFMO CC/C(=C(/CCCCCC[N@@H+](C)CCCSCCCC(F)(F)C(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028380774 561920101 /nfs/dbraw/zinc/92/01/01/561920101.db2.gz JBFBGJWUIICAFO-ZQHSETAFSA-N 1 1 587.739 9.402 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000028381506 561920217 /nfs/dbraw/zinc/92/02/17/561920217.db2.gz WWXHGPMCGFIMJY-UHFFFAOYSA-N 1 1 614.652 5.962 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000028381506 561920219 /nfs/dbraw/zinc/92/02/19/561920219.db2.gz WWXHGPMCGFIMJY-UHFFFAOYSA-N 1 1 614.652 5.962 1 0 KKAFMO Cc1nc2cc(OC[C@H](O)C[NH+]3CCN(Cc4csc(-c5ccc(C(F)(F)F)cc5)n4)CC3)ccc2s1 ZINC000028384238 561920627 /nfs/dbraw/zinc/92/06/27/561920627.db2.gz WJCQAKVHUXMDLE-OAQYLSRUSA-N 1 1 548.656 5.305 1 0 KKAFMO Cc1ccc(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028385403 561920899 /nfs/dbraw/zinc/92/08/99/561920899.db2.gz GHCCUWPPSKPLJX-UHFFFAOYSA-N 1 1 521.669 6.999 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CCC(O)(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392345 561922562 /nfs/dbraw/zinc/92/25/62/561922562.db2.gz WUNMVYONCUWXQZ-UHFFFAOYSA-N 1 1 547.548 5.231 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392345 561922563 /nfs/dbraw/zinc/92/25/63/561922563.db2.gz WUNMVYONCUWXQZ-UHFFFAOYSA-N 1 1 547.548 5.231 1 0 KKAFMO CCNC(=O)c1ccc(C(c2ccc(C(=O)N(C)C)cc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccn2)cc1 ZINC000028396934 561923149 /nfs/dbraw/zinc/92/31/49/561923149.db2.gz XKPQDZHNXRQWHU-ISILISOKSA-N 1 1 508.666 5.162 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@H+](CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000028458682 561924540 /nfs/dbraw/zinc/92/45/40/561924540.db2.gz MWOANGMLWWVNTJ-UHFFFAOYSA-N 1 1 536.564 7.777 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@@H+](CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000028458682 561924542 /nfs/dbraw/zinc/92/45/42/561924542.db2.gz MWOANGMLWWVNTJ-UHFFFAOYSA-N 1 1 536.564 7.777 1 0 KKAFMO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br)CC1CC1 ZINC000028459384 561924852 /nfs/dbraw/zinc/92/48/52/561924852.db2.gz DFOGVCLAMQYSGV-UHFFFAOYSA-N 1 1 547.463 7.805 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cnnc2ccccc21 ZINC000028471837 561927099 /nfs/dbraw/zinc/92/70/99/561927099.db2.gz QNOFODRHUMZNBU-HXUWFJFHSA-N 1 1 512.485 5.043 1 0 KKAFMO COc1ccc2c(c1-c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000028477006 561928400 /nfs/dbraw/zinc/92/84/00/561928400.db2.gz HZJHGHOXIGPHGZ-SXOMAYOGSA-N 1 1 515.606 5.838 1 0 KKAFMO COc1ccc2c(c1-c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000028477006 561928402 /nfs/dbraw/zinc/92/84/02/561928402.db2.gz HZJHGHOXIGPHGZ-SXOMAYOGSA-N 1 1 515.606 5.838 1 0 KKAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028521831 561929423 /nfs/dbraw/zinc/92/94/23/561929423.db2.gz ACKJXXOVSOCBPX-UHFFFAOYSA-N 1 1 578.805 6.514 1 0 KKAFMO COc1cc2c(cc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000028524739 561930996 /nfs/dbraw/zinc/93/09/96/561930996.db2.gz NIWNFKULYGXYCB-SZPZYZBQSA-N 1 1 551.691 5.761 1 0 KKAFMO CCC[N@@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1ccc(C(C)C)cc1Br ZINC000028469268 561926758 /nfs/dbraw/zinc/92/67/58/561926758.db2.gz QWHIYMVSPFPNMI-UHFFFAOYSA-N 1 1 597.523 8.638 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000028538569 561935094 /nfs/dbraw/zinc/93/50/94/561935094.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 1 1 576.693 7.251 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000028538569 561935096 /nfs/dbraw/zinc/93/50/96/561935096.db2.gz ZBDGREIBILVVBE-WUFINQPMSA-N 1 1 576.693 7.251 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646118 561944746 /nfs/dbraw/zinc/94/47/46/561944746.db2.gz ZPBDIJQSZTYFIY-MGBGTMOVSA-N 1 1 516.749 5.688 1 0 KKAFMO CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704010 561948114 /nfs/dbraw/zinc/94/81/14/561948114.db2.gz FWCVWNSKPMLGCW-KAXVLVORSA-N 1 1 578.641 7.842 1 0 KKAFMO CC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703998 561948146 /nfs/dbraw/zinc/94/81/46/561948146.db2.gz FEHOZFOZMBPRSW-JHYPHSFXSA-N 1 1 564.614 7.596 1 0 KKAFMO CC(=O)Nc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4ccc(NC(C)=O)cc4)c3)ccn2)cc1 ZINC000028707570 561950141 /nfs/dbraw/zinc/95/01/41/561950141.db2.gz SKLPWWJIGOTWAF-MEKGRNQZSA-N 1 1 560.702 5.576 1 0 KKAFMO Cc1ccc2c(c1)N(c1ccc(NCCc3[nH]cc[nH+]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCOCC1 ZINC000028711947 561952545 /nfs/dbraw/zinc/95/25/45/561952545.db2.gz TUPMMOMMNNUFEJ-UHFFFAOYSA-N 1 1 588.756 7.025 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+]([C@H](C)CCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)n(C)n1 ZINC000028712507 561953022 /nfs/dbraw/zinc/95/30/22/561953022.db2.gz BZIIORPIORBBJU-HSZRJFAPSA-N 1 1 551.764 6.019 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@@H+](CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)no1 ZINC000028712466 561953070 /nfs/dbraw/zinc/95/30/70/561953070.db2.gz MMHPZQOEUVHNBB-UHFFFAOYSA-N 1 1 527.616 6.047 1 0 KKAFMO C[N@@H+](Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028759081 561957456 /nfs/dbraw/zinc/95/74/56/561957456.db2.gz FAMLZMYNJFMLTL-UHFFFAOYSA-N 1 1 607.598 8.501 1 0 KKAFMO CCOc1cc(C(=O)OCCCC[N@@H+](CC)[C@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768661 561960478 /nfs/dbraw/zinc/96/04/78/561960478.db2.gz RIMQMPNCHLPOTA-VWLOTQADSA-N 1 1 513.675 5.708 1 0 KKAFMO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000028818498 561965225 /nfs/dbraw/zinc/96/52/25/561965225.db2.gz KXTCHTKEXKEZJN-ZEQRLZLVSA-N 1 1 554.160 5.732 1 0 KKAFMO COc1ccc([C@@H]2C[N@H+](C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818157 561965259 /nfs/dbraw/zinc/96/52/59/561965259.db2.gz WLVVWVWAWIFTAL-PMERELPUSA-N 1 1 539.642 5.882 1 0 KKAFMO COc1ccc([C@@H]2C[N@@H+](C)Cc3cc(OCCCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)ccc32)cc1 ZINC000028818157 561965260 /nfs/dbraw/zinc/96/52/60/561965260.db2.gz WLVVWVWAWIFTAL-PMERELPUSA-N 1 1 539.642 5.882 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825210 561970576 /nfs/dbraw/zinc/97/05/76/561970576.db2.gz QOPWWVFDWSBQHN-LSYYVWMOSA-N 1 1 588.818 5.442 1 0 KKAFMO COC(=O)/C=C/c1cc(-c2c(C)cc(OC)c3c(OC)cccc23)c(OCc2ccccc2)c2c1C[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H]2C ZINC000028862011 561971828 /nfs/dbraw/zinc/97/18/28/561971828.db2.gz LIYMLMSCUMVJLZ-OTUDYDONSA-N 1 1 641.808 9.105 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028879180 561976145 /nfs/dbraw/zinc/97/61/45/561976145.db2.gz CKYOUSJBAOMLEO-UYDITSSVSA-N 1 1 582.113 5.455 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2cnccc2Cl)n1C ZINC000028897798 561979406 /nfs/dbraw/zinc/97/94/06/561979406.db2.gz SMRYRNGFJDIXJL-UHFFFAOYSA-N 1 1 614.524 5.814 1 0 KKAFMO CC(C)C[C@H](NC(=O)CN(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 561983929 /nfs/dbraw/zinc/98/39/29/561983929.db2.gz QCTVDNMXPAHHCW-JBOQNHBVSA-N 1 1 650.230 5.896 1 0 KKAFMO CC(C)C[C@H](NC(=O)CN(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 561983930 /nfs/dbraw/zinc/98/39/30/561983930.db2.gz QCTVDNMXPAHHCW-JBOQNHBVSA-N 1 1 650.230 5.896 1 0 KKAFMO C[NH+]1CCN([C@H](C(=O)Nc2ccc3ccccc3c2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976468 561986823 /nfs/dbraw/zinc/98/68/23/561986823.db2.gz FYOLGMCEAWUMOU-PMERELPUSA-N 1 1 549.700 5.816 1 0 KKAFMO CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038873 561989489 /nfs/dbraw/zinc/98/94/89/561989489.db2.gz HIYADFAZLGBXHA-UHFFFAOYSA-N 1 1 563.879 7.337 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2cc(F)c(F)cc2F)CC1 ZINC000029042922 561991830 /nfs/dbraw/zinc/99/18/30/561991830.db2.gz FCROUWTVYBCUMB-AHPZMPFVSA-N 1 1 578.119 6.565 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2Cl)CC1 ZINC000029043445 561992031 /nfs/dbraw/zinc/99/20/31/561992031.db2.gz WIYYBZMEWSJCLO-GKRYNVPLSA-N 1 1 576.584 6.940 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049221 561993798 /nfs/dbraw/zinc/99/37/98/561993798.db2.gz UJLIZNBTYSCBBF-BHYZAODMSA-N 1 1 553.106 7.094 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)cc1)CC2 ZINC000029063238 561996157 /nfs/dbraw/zinc/99/61/57/561996157.db2.gz YKXTXQJFMGBJLD-UHFFFAOYSA-N 1 1 549.671 6.118 1 0 in-vivo KKAFMO COCc1nc2cc3c(cc2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126993 561999213 /nfs/dbraw/zinc/99/92/13/561999213.db2.gz TZVRVTZSSPWUGF-UHFFFAOYSA-N 1 1 528.682 5.209 1 0 KKAFMO C[C@H](C[C@@H](O)[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2ccon2)cc(-c2ccon2)c1 ZINC000029129114 562001620 /nfs/dbraw/zinc/00/16/20/562001620.db2.gz KZYSQAFJXXLUSQ-MRFDPFKHSA-N 1 1 533.604 5.309 1 0 KKAFMO Cc1cc(-c2ccc3c(c2)CC[N@H+](CCCSc2nnc(-c4cccc5cnc(C)cc54)n2C)CC3)n(C)n1 ZINC000029127028 561999439 /nfs/dbraw/zinc/99/94/39/561999439.db2.gz RLZDEABBOHACIP-UHFFFAOYSA-N 1 1 537.737 5.631 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCC[C@@H](C)[N@@H+]3CCc4cc5c(cc4CC3)C(=O)N(C(C)C)C5)n2C)n1 ZINC000029127292 561999679 /nfs/dbraw/zinc/99/96/79/561999679.db2.gz VYGLNPIKDOAMBL-JOCHJYFZSA-N 1 1 554.764 5.674 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(C(C)(C)C)oc5c(C)c4CC3)n2C)n1 ZINC000029127420 561999792 /nfs/dbraw/zinc/99/97/92/561999792.db2.gz MJLHCRFMFPSGBF-UHFFFAOYSA-N 1 1 554.764 6.669 1 0 KKAFMO CCc1nc2c(ccc3c2CC[N@@H+](CCCSc2nnc(-c4cccc5nc(C)ccc54)n2C)CC3)o1 ZINC000029127325 561999810 /nfs/dbraw/zinc/99/98/10/561999810.db2.gz ZJBDUXLBLPXVOM-UHFFFAOYSA-N 1 1 512.683 5.625 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029388420 562016768 /nfs/dbraw/zinc/01/67/68/562016768.db2.gz SFNGCGOHFNTDLB-POURPWNDSA-N 1 1 586.585 5.908 1 0 KKAFMO CN(C[C@H](CCN1CCC2(CC1)[NH2+]CCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334576 562014205 /nfs/dbraw/zinc/01/42/05/562014205.db2.gz JVIZOQMXVALTOM-SANMLTNESA-N 1 1 536.547 6.376 1 0 KKAFMO Nc1nc2cc(Cl)c(Cl)cc2n1CCCOCCCn1c(N)[nH+]c2cc(Cl)c(Cl)cc21 ZINC000029406539 562020813 /nfs/dbraw/zinc/02/08/13/562020813.db2.gz ALJLEYVKDUBLRP-UHFFFAOYSA-N 1 1 502.233 5.661 1 0 KKAFMO CCCCCC[N@@H+](C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]21)OCO3 ZINC000029411464 562021840 /nfs/dbraw/zinc/02/18/40/562021840.db2.gz WRUVHBAJFNMPQH-HIYJGCFHSA-N 1 1 525.642 5.059 1 0 KKAFMO CC[N@H+]1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871332 562036595 /nfs/dbraw/zinc/03/65/95/562036595.db2.gz HKSABFMJANGSMM-ZFEZZJPFSA-N 1 1 521.657 7.300 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000034657206 562039598 /nfs/dbraw/zinc/03/95/98/562039598.db2.gz IHCFTGHARRXKNR-SUYBVONHSA-N 1 1 532.681 5.521 1 0 KKAFMO CCCCNC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1 ZINC000034657206 562039600 /nfs/dbraw/zinc/03/96/00/562039600.db2.gz IHCFTGHARRXKNR-SUYBVONHSA-N 1 1 532.681 5.521 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)c3c2)o1 ZINC000034800121 562040874 /nfs/dbraw/zinc/04/08/74/562040874.db2.gz AERGSELXAOHCKG-UHFFFAOYSA-N 1 1 596.631 6.365 1 0 KKAFMO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(N(C)c3ccncc3)cc2)cc1 ZINC000034802917 562042249 /nfs/dbraw/zinc/04/22/49/562042249.db2.gz JLKJJYNPLIIIFH-UHFFFAOYSA-N 1 1 542.812 8.127 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(Cl)cccc3Cl)c3ccccc32)CC1 ZINC000036089385 562046901 /nfs/dbraw/zinc/04/69/01/562046901.db2.gz AZAYZAMZAPQNBH-UHFFFAOYSA-N 1 1 514.844 5.769 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(N)cccc3C(F)(F)F)c3ccccc32)CC1 ZINC000036089415 562046947 /nfs/dbraw/zinc/04/69/47/562046947.db2.gz PSULVKVPLZZSRC-UHFFFAOYSA-N 1 1 528.966 5.063 1 0 KKAFMO COc1cccc(OC)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CC[NH+](C)CC2)c2cc(Cl)ccc21 ZINC000036089463 562047031 /nfs/dbraw/zinc/04/70/31/562047031.db2.gz QGFMLINRMXISAI-UHFFFAOYSA-N 1 1 540.451 5.133 1 0 KKAFMO C[C@H](c1ccccc1OCCC[NH+]1CCOCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175768 562049023 /nfs/dbraw/zinc/04/90/23/562049023.db2.gz RPRHSMMTDNUUQI-HXUWFJFHSA-N 1 1 551.055 5.676 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000036177581 562049423 /nfs/dbraw/zinc/04/94/23/562049423.db2.gz AQLDZPVMATXBPG-UXBLZVDNSA-N 1 1 605.916 7.205 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322388 562055247 /nfs/dbraw/zinc/05/52/47/562055247.db2.gz VDGIWFABCWUAFZ-ZEQRLZLVSA-N 1 1 551.518 6.632 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccc(F)cc1 ZINC000036338412 562056984 /nfs/dbraw/zinc/05/69/84/562056984.db2.gz JUFZAZPBSPFLIO-BVAGGSTKSA-N 1 1 534.595 5.387 1 0 KKAFMO CN(C(=O)N1CC[C@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000036351495 562058515 /nfs/dbraw/zinc/05/85/15/562058515.db2.gz TYCHPBQYNABPSC-IHLOFXLRSA-N 1 1 590.690 6.161 1 0 KKAFMO CC(=O)Nc1ccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)cc1 ZINC000036351571 562058663 /nfs/dbraw/zinc/05/86/63/562058663.db2.gz BNAPHCOYBVXRAD-WOEHHYBBSA-N 1 1 542.099 5.029 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4ccc(NC(=O)OCc5ccccc5)cc4)C[C@H]23)CC1 ZINC000036351598 562058698 /nfs/dbraw/zinc/05/86/98/562058698.db2.gz NMPFBNIJCAMRID-VOKAMYBESA-N 1 1 634.196 6.820 1 0 KKAFMO CC1CCC([N@@H+](C)[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351693 562058953 /nfs/dbraw/zinc/05/89/53/562058953.db2.gz ALGLCHGXJVZFRW-BYOMPTMESA-N 1 1 570.700 6.224 1 0 KKAFMO COc1ccc([C@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc1 ZINC000036378320 562059674 /nfs/dbraw/zinc/05/96/74/562059674.db2.gz BVLUFAKPRYIHIB-NVQXNPDNSA-N 1 1 527.661 6.740 3 0 KKAFMO CCOc1ccc(Cn2c3ccc(C(=O)N4CCC(C)CC4)cc3c3c2CC[N@@H+](C2CCOCC2)C3)cc1 ZINC000036478722 562061003 /nfs/dbraw/zinc/06/10/03/562061003.db2.gz ZZPRUFQKSMSCLW-UHFFFAOYSA-N 1 1 515.698 5.498 1 0 KKAFMO COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCC[NH+]4CCN(C)CC4)c(F)c3)n2)c(OC)c1 ZINC000036758587 562061474 /nfs/dbraw/zinc/06/14/74/562061474.db2.gz UPXVJAHQYQWZKZ-UHFFFAOYSA-N 1 1 644.748 6.347 1 0 KKAFMO COc1ccc(C2(C(=O)N[C@@H]3C[C@@H]4C[C@](c5cccc(O)c5)(C3)[C@@H](C)C[N@H+]4CCCc3ccccc3)CCCC2)cc1 ZINC000038147760 562065582 /nfs/dbraw/zinc/06/55/82/562065582.db2.gz YNIWUEGPIJJKBQ-ZTYBNDALSA-N 1 1 566.786 6.772 1 0 KKAFMO CNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccc(C(F)(F)F)cc4[nH+]3)c3ccccc23)n1 ZINC000039205007 562072857 /nfs/dbraw/zinc/07/28/57/562072857.db2.gz VIHXUAKPZPXVSW-UHFFFAOYSA-N 1 1 527.510 7.165 1 0 in-vitro KKAFMO CNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4cc(C(F)(F)F)ccc4[nH+]3)c3ccccc23)n1 ZINC000039205007 562072861 /nfs/dbraw/zinc/07/28/61/562072861.db2.gz VIHXUAKPZPXVSW-UHFFFAOYSA-N 1 1 527.510 7.165 1 0 in-vitro KKAFMO FC(F)(F)c1ccc(Nc2nc(C[NH+]3CCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc32)cc1 ZINC000040380249 562073421 /nfs/dbraw/zinc/07/34/21/562073421.db2.gz NDJHQUKVEXFVED-UHFFFAOYSA-N 1 1 517.477 7.069 1 0 KKAFMO CCCCOc1cccc2c1[C@@]13CC[N@@H+](CC4CC4)[C@@H](C2)[C@]1(OCCCc1ccccc1)CCC(=O)C3 ZINC000040540355 562077756 /nfs/dbraw/zinc/07/77/56/562077756.db2.gz SBGANKOPOAKMKT-FLPLPDKSSA-N 1 1 501.711 6.285 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CCC[C@H](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000040640907 562078730 /nfs/dbraw/zinc/07/87/30/562078730.db2.gz JKVMLYRCSNRRJI-HSZRJFAPSA-N 1 1 523.620 5.983 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040874848 562081986 /nfs/dbraw/zinc/08/19/86/562081986.db2.gz RLWXMWFCYVZNBY-ZRZAMGCNSA-N 1 1 500.662 5.165 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccnc3C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2)C[C@H](C)N1 ZINC000040874848 562081988 /nfs/dbraw/zinc/08/19/88/562081988.db2.gz RLWXMWFCYVZNBY-ZRZAMGCNSA-N 1 1 500.662 5.165 1 0 KKAFMO COC(=O)[C@](CCC[N@@H+](C)CCCc1nc2cc(C)c(C)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040881097 562082594 /nfs/dbraw/zinc/08/25/94/562082594.db2.gz PPUATJSILURJNL-NDEPHWFRSA-N 1 1 528.535 6.354 1 0 KKAFMO CC(C)C[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(CCSc3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000040895527 562083043 /nfs/dbraw/zinc/08/30/43/562083043.db2.gz LGMKPRIBFIJWTC-TUMTZTIRSA-N 1 1 530.725 6.374 1 0 KKAFMO COc1cc(CC[C@H](C[C@H](CCCCCCc2ccccc2)OC(C)=O)OC(C)=O)cc(Cc2cc[nH+]c(N)c2)c1O ZINC000085629487 560068454 /nfs/dbraw/zinc/06/84/54/560068454.db2.gz FEDPCMSKICJWPE-IOWSJCHKSA-N 1 1 576.734 6.348 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532517 560072788 /nfs/dbraw/zinc/07/27/88/560072788.db2.gz DOTWLTKYUSWDOB-HHABBVKRSA-N 1 1 547.736 6.269 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)C[N@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532309 560073002 /nfs/dbraw/zinc/07/30/02/560073002.db2.gz FWQPMJKPTFVFSL-QQPVXQQWSA-N 1 1 593.805 6.135 1 0 biogenic,in-vitro KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000043544040 562649590 /nfs/dbraw/zinc/64/95/90/562649590.db2.gz ZMTFMZBIOIFBMT-WUXMJOGZSA-N 1 1 537.919 6.186 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000044005130 562651398 /nfs/dbraw/zinc/65/13/98/562651398.db2.gz VRGCBLCNWHWXFW-OZXSUGGESA-N 1 1 584.602 6.267 1 0 KKAFMO C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCC[C@H](CN(C(=O)Nc2ccccc2)c2cccc(OCCN3CCOCC3)c2)C1 ZINC000044031839 562651695 /nfs/dbraw/zinc/65/16/95/562651695.db2.gz RTJZMWSCHLSZOW-IZEXYCQBSA-N 1 1 591.196 6.780 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000044087065 562652289 /nfs/dbraw/zinc/65/22/89/562652289.db2.gz ZIDJCKAKCGREPA-KSCXJQRSSA-N 1 1 608.151 5.988 1 0 KKAFMO O=C1NCCc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000044304974 562653287 /nfs/dbraw/zinc/65/32/87/562653287.db2.gz CWDGPBQWSLGFNO-UHFFFAOYSA-N 1 1 541.659 5.261 1 0 KKAFMO O=C1NCCc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000044304974 562653288 /nfs/dbraw/zinc/65/32/88/562653288.db2.gz CWDGPBQWSLGFNO-UHFFFAOYSA-N 1 1 541.659 5.261 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)ncn2)s1 ZINC000044306653 562653802 /nfs/dbraw/zinc/65/38/02/562653802.db2.gz GYHAPTAGIQVJLR-QFIPXVFZSA-N 1 1 598.651 6.582 1 0 KKAFMO CCc1nc(Cc2ccccc2)oc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000044350649 562654330 /nfs/dbraw/zinc/65/43/30/562654330.db2.gz OUTFXOAVNANEPM-XAGDYJCDSA-N 1 1 555.763 6.366 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1 ZINC000044418960 562657376 /nfs/dbraw/zinc/65/73/76/562657376.db2.gz XYUIVHYWMAPVBZ-UHFFFAOYSA-N 1 1 587.098 6.201 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000045166956 562657941 /nfs/dbraw/zinc/65/79/41/562657941.db2.gz HLMMHUFTDWSTBP-YADHBBJMSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000045166956 562657942 /nfs/dbraw/zinc/65/79/42/562657942.db2.gz HLMMHUFTDWSTBP-YADHBBJMSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000045166956 562657943 /nfs/dbraw/zinc/65/79/43/562657943.db2.gz HLMMHUFTDWSTBP-YADHBBJMSA-N 1 1 504.631 5.159 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[N@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045167450 562658018 /nfs/dbraw/zinc/65/80/18/562658018.db2.gz IBMGAYKORIZRPI-GTOIDMPBSA-N 1 1 526.508 6.013 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2)C1 ZINC000045168894 562658141 /nfs/dbraw/zinc/65/81/41/562658141.db2.gz HEHXADVQZWNADQ-ARCUIZILSA-N 1 1 500.470 5.197 1 0 KKAFMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045188648 562658337 /nfs/dbraw/zinc/65/83/37/562658337.db2.gz SLBYFXHYNULWMQ-IBGZPJMESA-N 1 1 501.574 5.644 1 0 KKAFMO Cc1cc2nc(-c3ccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)[nH]c2cc1Cl ZINC000045189052 562658368 /nfs/dbraw/zinc/65/83/68/562658368.db2.gz NADLJHUJKCFRKS-UHFFFAOYSA-N 1 1 522.480 5.787 1 0 KKAFMO O=C(Nc1cccc(Oc2ccccc2)c1)N[C@H]1CCN(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192115 562658647 /nfs/dbraw/zinc/65/86/47/562658647.db2.gz JGFNXQHSNHTTLG-NDEPHWFRSA-N 1 1 528.697 6.130 1 0 KKAFMO C[NH+]1CCN([C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1 ZINC000045193770 562658756 /nfs/dbraw/zinc/65/87/56/562658756.db2.gz KBCIKVKKHVPZCU-VWLOTQADSA-N 1 1 526.468 5.242 1 0 KKAFMO C[N@@H+]1CCC[C@H](CN2CCN(Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658865 /nfs/dbraw/zinc/65/88/65/562658865.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 1 1 503.691 5.557 1 0 KKAFMO C[N@H+]1CCC[C@H](CN2CCN(Cc3ccc(-c4ccc(-c5nc6cc(F)ccc6[nH]5)s4)cc3)CC2)C1 ZINC000045195371 562658866 /nfs/dbraw/zinc/65/88/66/562658866.db2.gz JVKHWBLFNHRHKG-QFIPXVFZSA-N 1 1 503.691 5.557 1 0 KKAFMO C[NH+]1CCN(c2ccc3nc(-c4ccc(Cc5cc(Cl)ccc5OCc5ccccc5)o4)[nH]c3c2)CC1 ZINC000045202759 562659189 /nfs/dbraw/zinc/65/91/89/562659189.db2.gz XDERAFJBCIXZMV-UHFFFAOYSA-N 1 1 513.041 6.398 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000045226777 562659339 /nfs/dbraw/zinc/65/93/39/562659339.db2.gz SDXRGTOIFTWANP-ZTVSIKPCSA-N 1 1 522.904 6.297 1 0 KKAFMO C[N@@H+](CCCc1c[nH]c2ccccc12)CCC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000045226481 562659359 /nfs/dbraw/zinc/65/93/59/562659359.db2.gz XYKXYLFWEXRESJ-RVDMUPIBSA-N 1 1 512.525 7.118 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045303019 562660780 /nfs/dbraw/zinc/66/07/80/562660780.db2.gz WYDJYWOGADOEGJ-QHCPKHFHSA-N 1 1 523.621 5.281 1 0 KKAFMO CCCCC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000045323495 562661182 /nfs/dbraw/zinc/66/11/82/562661182.db2.gz PRVWPDNOPRWOEL-LJQANCHMSA-N 1 1 511.610 5.138 1 0 KKAFMO Cc1nc(-c2cccc(C(=O)NC3CCC(CC[N@H+]4CCc5ccc(-c6cccnc6)cc5CC4)CC3)c2)no1 ZINC000045334542 562661257 /nfs/dbraw/zinc/66/12/57/562661257.db2.gz AXNZNHQHZDBTTM-UHFFFAOYSA-N 1 1 535.692 5.887 1 0 KKAFMO COc1ccc(C(=O)Oc2ccccc2-c2[nH+]c3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c(OC)c1 ZINC000045370851 562662237 /nfs/dbraw/zinc/66/22/37/562662237.db2.gz VHEULEHIEIGLJQ-UHFFFAOYSA-N 1 1 515.654 7.173 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000048307380 562663079 /nfs/dbraw/zinc/66/30/79/562663079.db2.gz BWGRGZKEHVFBRB-ZRDIBKRKSA-N 1 1 551.946 6.576 1 0 KKAFMO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(F)cc1 ZINC000049035014 562663515 /nfs/dbraw/zinc/66/35/15/562663515.db2.gz GVIJZZWKSXLNAA-UHFFFAOYSA-N 1 1 506.975 7.274 1 0 KKAFMO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(F)cc1 ZINC000049035014 562663516 /nfs/dbraw/zinc/66/35/16/562663516.db2.gz GVIJZZWKSXLNAA-UHFFFAOYSA-N 1 1 506.975 7.274 1 0 KKAFMO CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C[NH+]3CCCCC3)c2[C@@H](O)C1 ZINC000049054852 562663874 /nfs/dbraw/zinc/66/38/74/562663874.db2.gz RPIAKVXSVFFISQ-DEOSSOPVSA-N 1 1 514.632 6.981 1 0 KKAFMO CC(C)(C[NH2+]Cc1cccc(Oc2ccccc2)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049604995 562665182 /nfs/dbraw/zinc/66/51/82/562665182.db2.gz FMMMGYSXVUFDRI-UHFFFAOYSA-N 1 1 541.055 6.335 1 0 KKAFMO CC(=O)Nc1ccc(C[N@H+]2CCc3ccc(NS(=O)(=O)c4cccc(OCc5ccc(Cl)cc5)c4)cc3CC2)s1 ZINC000049605083 562665348 /nfs/dbraw/zinc/66/53/48/562665348.db2.gz YTMSPHSNASRQIH-UHFFFAOYSA-N 1 1 596.174 6.341 1 0 KKAFMO O=C(/C=C/c1ccccc1)NCCC[C@H]1CCC[N@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049605124 562665423 /nfs/dbraw/zinc/66/54/23/562665423.db2.gz MTIBFGQHSSIDCG-JSICHVMESA-N 1 1 556.578 6.615 1 0 KKAFMO CC[C@H](C)[C@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)N(C)CC[N@@H+](C)[C@@H](COC(=O)c1cc(OC)c(OC)c(OC)c1)[C@@H](C)CC ZINC000049605364 562665761 /nfs/dbraw/zinc/66/57/61/562665761.db2.gz LGRMYYUELOYAIG-LSGCGUROSA-N 1 1 676.848 5.445 1 0 KKAFMO Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)C[N@@H+]3CC=CCC3)cc2)n1 ZINC000049605555 562666032 /nfs/dbraw/zinc/66/60/32/562666032.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 1 1 567.738 6.125 1 0 KKAFMO Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)C[N@H+]3CC=CCC3)cc2)n1 ZINC000049605555 562666033 /nfs/dbraw/zinc/66/60/33/562666033.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 1 1 567.738 6.125 1 0 KKAFMO Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@@H](O)C[N@@H+]3CC=CCC3)cc2)n1 ZINC000049605555 562666034 /nfs/dbraw/zinc/66/60/34/562666034.db2.gz HLAAZUZARIFGMJ-MHZLTWQESA-N 1 1 567.738 6.125 1 0 KKAFMO Cc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000049605701 562666266 /nfs/dbraw/zinc/66/62/66/562666266.db2.gz AZMCTKVBGZHVBB-SANMLTNESA-N 1 1 552.546 6.350 1 0 KKAFMO Cc1cc(CN2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)ccc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC000049605701 562666267 /nfs/dbraw/zinc/66/62/67/562666267.db2.gz AZMCTKVBGZHVBB-SANMLTNESA-N 1 1 552.546 6.350 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000049605799 562666371 /nfs/dbraw/zinc/66/63/71/562666371.db2.gz OFACJSFPQABUNO-OAQYLSRUSA-N 1 1 537.648 5.528 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000049605798 562666376 /nfs/dbraw/zinc/66/63/76/562666376.db2.gz OFACJSFPQABUNO-NRFANRHFSA-N 1 1 537.648 5.528 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625512 562666799 /nfs/dbraw/zinc/66/67/99/562666799.db2.gz BZILAFGVDGIZFW-QGZVFWFLSA-N 1 1 602.612 6.648 1 0 KKAFMO Cc1[nH]nc2ccc(-c3cc(OC[C@@H]([NH3+])Cc4ccccc4)cnc3-c3ccccc3OCc3cccc(F)c3)cc12 ZINC000049626106 562666987 /nfs/dbraw/zinc/66/69/87/562666987.db2.gz OMEXARDQTFLKFX-NDEPHWFRSA-N 1 1 558.657 7.267 1 0 KKAFMO C[N@H+]1CCC[C@@H](COc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049626239 562667091 /nfs/dbraw/zinc/66/70/91/562667091.db2.gz ZFHWQEUJIOCMOL-GOSISDBHSA-N 1 1 555.904 6.480 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049626356 562667136 /nfs/dbraw/zinc/66/71/36/562667136.db2.gz XACYZNUBDRDHNM-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049626356 562667137 /nfs/dbraw/zinc/66/71/37/562667137.db2.gz XACYZNUBDRDHNM-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049626356 562667138 /nfs/dbraw/zinc/66/71/38/562667138.db2.gz XACYZNUBDRDHNM-UIOOFZCWSA-N 1 1 548.609 5.977 1 0 KKAFMO COc1cc2c(cc1NS(=O)(=O)c1ccc(OCc3ccc(Br)cc3)cc1)CC[N@H+](C1CCC1)CC2 ZINC000049639109 562667612 /nfs/dbraw/zinc/66/76/12/562667612.db2.gz YNIPKLFLENFCFN-UHFFFAOYSA-N 1 1 571.537 5.791 1 0 KKAFMO COc1ccc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000049654829 562668146 /nfs/dbraw/zinc/66/81/46/562668146.db2.gz BLJNIMUHQACEHQ-JQIJEIRASA-N 1 1 587.710 5.415 1 0 KKAFMO COC(=O)[C@H](C)CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049678411 562668515 /nfs/dbraw/zinc/66/85/15/562668515.db2.gz IJADPUQVQVKFSF-LEYNWLIISA-N 1 1 537.785 7.236 1 0 KKAFMO COC(=O)[C@@H](C)CCCCCC[C@H](C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049678409 562668530 /nfs/dbraw/zinc/66/85/30/562668530.db2.gz IJADPUQVQVKFSF-QMAJVTLTSA-N 1 1 537.785 7.236 1 0 KKAFMO CCCCCC[N@H+]1CCN(C(=O)Nc2cccc3ccccc32)C[C@H]1[C@H](C)Nc1nccc(-n2cnc3ccccc32)n1 ZINC000049694404 562669314 /nfs/dbraw/zinc/66/93/14/562669314.db2.gz GKGWRALXTFQWFR-FKAPRUDGSA-N 1 1 576.749 6.568 1 0 KKAFMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049709274 562671301 /nfs/dbraw/zinc/67/13/01/562671301.db2.gz DBKDTFRIQHKADF-UHFFFAOYSA-N 1 1 571.707 5.923 1 0 KKAFMO COc1ccccc1/C=C/C(=O)N(C)[C@H]1CC[N@@H+](CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 ZINC000049710052 562671515 /nfs/dbraw/zinc/67/15/15/562671515.db2.gz USCWJPZRMKKICH-IXHDCXJQSA-N 1 1 544.523 5.548 1 0 KKAFMO O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049710915 562671896 /nfs/dbraw/zinc/67/18/96/562671896.db2.gz WZXINJTXKIEZPD-NNWRFLSQSA-N 1 1 572.364 6.586 1 0 KKAFMO Cc1cc(-c2cccc3c(C(=O)N4CCc5cc6nccc(N7CCC[N@H+](C)CC7)c6cc54)cccc23)cc(C)n1 ZINC000049722697 562672381 /nfs/dbraw/zinc/67/23/81/562672381.db2.gz SJRGZYXYKKYWOG-UHFFFAOYSA-N 1 1 541.699 6.412 1 0 KKAFMO CCc1ccc(C[NH2+]C[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)o1 ZINC000049722982 562672754 /nfs/dbraw/zinc/67/27/54/562672754.db2.gz CEMZBHDGSBBBKE-NRFANRHFSA-N 1 1 602.371 5.959 1 0 KKAFMO CC(C)(CNC(=O)C1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049723289 562673137 /nfs/dbraw/zinc/67/31/37/562673137.db2.gz PBDZLXXLJJBEML-UHFFFAOYSA-N 1 1 608.570 6.336 1 0 KKAFMO O=C(NCc1cccc2ccccc21)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049723315 562673187 /nfs/dbraw/zinc/67/31/87/562673187.db2.gz CPZSOZVZJMUMAC-DIPNUNPCSA-N 1 1 565.717 7.351 1 0 KKAFMO O=C(Nc1ccc(C(=O)OCC(c2ccccc2)c2ccccc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049723304 562673215 /nfs/dbraw/zinc/67/32/15/562673215.db2.gz ZODMUAAVGKXMFB-RIEGYYRVSA-N 1 1 698.820 6.210 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049746124 562674251 /nfs/dbraw/zinc/67/42/51/562674251.db2.gz AQBIPWHIWZFQLT-YADHBBJMSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049746124 562674252 /nfs/dbraw/zinc/67/42/52/562674252.db2.gz AQBIPWHIWZFQLT-YADHBBJMSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049746124 562674253 /nfs/dbraw/zinc/67/42/53/562674253.db2.gz AQBIPWHIWZFQLT-YADHBBJMSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049746126 562674266 /nfs/dbraw/zinc/67/42/66/562674266.db2.gz AQBIPWHIWZFQLT-VXKWHMMOSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@H+]1CC[C@H](O)C1 ZINC000049746126 562674267 /nfs/dbraw/zinc/67/42/67/562674267.db2.gz AQBIPWHIWZFQLT-VXKWHMMOSA-N 1 1 554.638 6.039 1 0 KKAFMO O=C(c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1)N1CCCC[C@H]1C[N@@H+]1CC[C@H](O)C1 ZINC000049746126 562674268 /nfs/dbraw/zinc/67/42/68/562674268.db2.gz AQBIPWHIWZFQLT-VXKWHMMOSA-N 1 1 554.638 6.039 1 0 KKAFMO Fc1ccc(-c2oc(C3CC[NH+](CCc4ccc(-c5nc(=S)o[nH]5)cc4)CC3)nc2COCC(F)(F)F)cc1 ZINC000049746848 562674633 /nfs/dbraw/zinc/67/46/33/562674633.db2.gz UGSOGNVJKWUWGL-UHFFFAOYSA-N 1 1 562.589 6.320 1 0 KKAFMO COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OCCC[NH+]3CCN(C)CC3)cc21 ZINC000049756678 562675141 /nfs/dbraw/zinc/67/51/41/562675141.db2.gz FLGQTDLHJSQLIG-UHFFFAOYSA-N 1 1 570.719 5.684 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1O ZINC000049757057 562675444 /nfs/dbraw/zinc/67/54/44/562675444.db2.gz XXSQNJQHHHVCBG-UHFFFAOYSA-N 1 1 556.692 5.381 1 0 KKAFMO COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3)c2cc1OCCC[NH+]1CCN(C)CC1 ZINC000049757311 562675827 /nfs/dbraw/zinc/67/58/27/562675827.db2.gz DWCZEZXJZXJTHE-UHFFFAOYSA-N 1 1 540.693 5.675 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)[NH2+]Cc2ccc3ncccc3c2)nn1 ZINC000049757391 562675987 /nfs/dbraw/zinc/67/59/87/562675987.db2.gz KGNPAFUIDAMTOY-FKAPRUDGSA-N 1 1 585.646 6.813 1 0 KKAFMO CC(C)(C)C[N@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 ZINC000049771932 562678464 /nfs/dbraw/zinc/67/84/64/562678464.db2.gz XBOFJPSCQGVLPB-WUFINQPMSA-N 1 1 635.856 6.323 1 0 KKAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1ncnc(NCCC[NH+]2CCN(C)CC2)n1 ZINC000049775200 562678937 /nfs/dbraw/zinc/67/89/37/562678937.db2.gz BCNXUFFSRWFFQA-UHFFFAOYSA-N 1 1 644.706 5.583 1 0 KKAFMO CCOCCCN1CC[NH+](CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 ZINC000049777229 562679811 /nfs/dbraw/zinc/67/98/11/562679811.db2.gz MOPHVRWHWYOJKJ-HKBQPEDESA-N 1 1 618.888 5.804 1 0 KKAFMO C[C@@H](Cc1ccc2nccnc2c1)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1 ZINC000049777386 562680010 /nfs/dbraw/zinc/68/00/10/562680010.db2.gz ZUKSFLFVDPKYES-DAANFHMWSA-N 1 1 547.694 5.174 1 0 KKAFMO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)ccc1Cl ZINC000049777891 562680636 /nfs/dbraw/zinc/68/06/36/562680636.db2.gz PCVYJQQTOFZNQT-PLQXJYEYSA-N 1 1 537.067 6.070 1 0 KKAFMO CC(C)c1ccc(NC(=O)NCCC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049778076 562680937 /nfs/dbraw/zinc/68/09/37/562680937.db2.gz YIYGCJCPGKWKQB-LJZAYONRSA-N 1 1 587.636 7.730 1 0 KKAFMO CC[NH+](CC)C[C@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3C(C)(C)N2)CC1 ZINC000049778355 562681259 /nfs/dbraw/zinc/68/12/59/562681259.db2.gz HEILVIDOVAHKRM-LBFZIJHGSA-N 1 1 648.267 5.183 1 0 KKAFMO CC(C)OC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1 ZINC000049781369 562682996 /nfs/dbraw/zinc/68/29/96/562682996.db2.gz CPPVIIQGQBFOFL-UHFFFAOYSA-N 1 1 623.798 5.421 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000049793588 562685018 /nfs/dbraw/zinc/68/50/18/562685018.db2.gz HBPWCTQXZZRMEW-UHFFFAOYSA-N 1 1 556.982 7.720 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCc4ccccc4)CCC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000049793588 562685019 /nfs/dbraw/zinc/68/50/19/562685019.db2.gz HBPWCTQXZZRMEW-UHFFFAOYSA-N 1 1 556.982 7.720 1 0 KKAFMO c1nnc2n1CCN(c1ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n1)C2 ZINC000049832994 562687357 /nfs/dbraw/zinc/68/73/57/562687357.db2.gz CLGHRVKBVKFOQI-UHFFFAOYSA-N 1 1 646.763 5.530 1 0 KKAFMO c1nnc2n1CCN(c1ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n1)C2 ZINC000049832994 562687358 /nfs/dbraw/zinc/68/73/58/562687358.db2.gz CLGHRVKBVKFOQI-UHFFFAOYSA-N 1 1 646.763 5.530 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049833068 562687501 /nfs/dbraw/zinc/68/75/01/562687501.db2.gz RIXXXEWTJFUQDB-UHFFFAOYSA-N 1 1 636.753 7.116 1 0 KKAFMO c1ccc(-c2cc3cnc(N4CCOCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000049877405 562690135 /nfs/dbraw/zinc/69/01/35/562690135.db2.gz JAMBSYYIFVKXOS-UHFFFAOYSA-N 1 1 609.738 5.755 1 0 KKAFMO c1ccc(-c2cc3cnc(N4CCOCC4)nc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000049877405 562690136 /nfs/dbraw/zinc/69/01/36/562690136.db2.gz JAMBSYYIFVKXOS-UHFFFAOYSA-N 1 1 609.738 5.755 1 0 KKAFMO O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@@]1(c3ccc(Cl)c(Cl)c3)CCN(Cc3ccco3)C1)CC2 ZINC000049881469 562690803 /nfs/dbraw/zinc/69/08/03/562690803.db2.gz JEFCMVCLMZSGMS-SSEXGKCCSA-N 1 1 567.561 5.939 1 0 KKAFMO CS(=O)(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](CCc2ccc(Cl)c(Cl)c2)Cc2ccccc2C(F)(F)F)cc1 ZINC000049881559 562690903 /nfs/dbraw/zinc/69/09/03/562690903.db2.gz PXBPKCJLRURUKW-NRFANRHFSA-N 1 1 591.479 5.868 1 0 KKAFMO COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)N(C)CC5)OCO4 ZINC000049888703 562691412 /nfs/dbraw/zinc/69/14/12/562691412.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 1 1 592.692 6.571 1 0 biogenic,in-vitro KKAFMO COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2)N(C)CC5)OCO4 ZINC000049888703 562691413 /nfs/dbraw/zinc/69/14/13/562691413.db2.gz VQAWRQZAAIQXHM-IZLXSDGUSA-N 1 1 592.692 6.571 1 0 biogenic,in-vitro KKAFMO CS(=O)(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049888938 562691621 /nfs/dbraw/zinc/69/16/21/562691621.db2.gz CZZAPGYQDMJOEO-UHFFFAOYSA-N 1 1 686.846 5.000 1 0 KKAFMO CS(=O)(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1 ZINC000049888938 562691622 /nfs/dbraw/zinc/69/16/22/562691622.db2.gz CZZAPGYQDMJOEO-UHFFFAOYSA-N 1 1 686.846 5.000 1 0 KKAFMO CC(C)(c1cc(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)[nH]n1)c1ccccc1 ZINC000049889156 562691843 /nfs/dbraw/zinc/69/18/43/562691843.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 1 1 568.806 6.664 1 0 KKAFMO CC(C)(c1cc(C2CC[NH+](C[C@H]3C[N@@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n[nH]1)c1ccccc1 ZINC000049889156 562691844 /nfs/dbraw/zinc/69/18/44/562691844.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 1 1 568.806 6.664 1 0 KKAFMO CC(C)(c1cc(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n[nH]1)c1ccccc1 ZINC000049889156 562691845 /nfs/dbraw/zinc/69/18/45/562691845.db2.gz ILSXRTHCNZMMFN-JUERCWOXSA-N 1 1 568.806 6.664 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H](C2)[NH2+]3)cc1 ZINC000049898747 562692807 /nfs/dbraw/zinc/69/28/07/562692807.db2.gz RWPWTDYOGAJQQG-PZSMLTKBSA-N 1 1 728.717 7.215 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)[N@@H+](C)CC4)CCN1C ZINC000049898771 562692829 /nfs/dbraw/zinc/69/28/29/562692829.db2.gz CLAUJNOKVABGOJ-VMPREFPWSA-N 1 1 668.787 6.877 1 0 KKAFMO Cc1ccc(NC(=S)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000049918074 562694393 /nfs/dbraw/zinc/69/43/93/562694393.db2.gz DOHTZLBHSAHUQU-DHZHZOJOSA-N 1 1 568.014 6.660 1 0 KKAFMO COc1cccc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)c1 ZINC000052569992 562695920 /nfs/dbraw/zinc/69/59/20/562695920.db2.gz FKRUTODYQQBSGD-WMPKNSHKSA-N 1 1 502.622 5.417 1 0 KKAFMO Cc1cc2[nH+]c(NC3CCC(O)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000053229133 562696635 /nfs/dbraw/zinc/69/66/35/562696635.db2.gz DYTONQWJIWYUFU-UHFFFAOYSA-N 1 1 505.703 6.552 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc4ccc(Cl)cn43)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000053253723 562696949 /nfs/dbraw/zinc/69/69/49/562696949.db2.gz SJUQOLPRDNYNQN-HUROMRQRSA-N 1 1 539.095 5.665 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc6[nH]ccc6c5)nc(-c5cccc(F)c5)c4)CC3)CC2)CC1 ZINC000053293943 562697219 /nfs/dbraw/zinc/69/72/19/562697219.db2.gz FFMGDOVUBJQRQK-UHFFFAOYSA-N 1 1 636.772 5.043 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](CCc1ccc(F)c(F)c1)[N@@H+]([C@@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000058522982 562698553 /nfs/dbraw/zinc/69/85/53/562698553.db2.gz MGTLLLVBSOYCAX-BHBYDHKZSA-N 1 1 520.620 5.782 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](CCc1ccc(F)c(F)c1)[N@H+]([C@@H](C(=O)NCC1CC1)c1ccccc1)CC2 ZINC000058522982 562698554 /nfs/dbraw/zinc/69/85/54/562698554.db2.gz MGTLLLVBSOYCAX-BHBYDHKZSA-N 1 1 520.620 5.782 1 0 KKAFMO CC(=O)NC(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 ZINC000058580866 562699735 /nfs/dbraw/zinc/69/97/35/562699735.db2.gz YYCCWOBZNRVRNZ-PZXMZKPCSA-N 1 1 630.176 5.625 1 0 KKAFMO 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)N1CCC(F)(F)C1 ZINC000058649935 562701294 /nfs/dbraw/zinc/70/12/94/562701294.db2.gz XFXXFTJQZRTTAK-NGKQEFFVSA-N 1 1 678.211 6.830 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000059796428 562702354 /nfs/dbraw/zinc/70/23/54/562702354.db2.gz FGNVWFVQBRWEIN-QHHIVDTJSA-N 1 1 567.651 8.181 3 0 KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059796531 562702371 /nfs/dbraw/zinc/70/23/71/562702371.db2.gz UOFOKNBGWSHUMG-ALQBRSPBSA-N 1 1 510.603 7.789 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061905848 562703029 /nfs/dbraw/zinc/70/30/29/562703029.db2.gz VTQGJZCDHJOXNE-UHFFFAOYSA-N 1 1 521.459 5.624 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)Cc1ccc(Cl)cc1 ZINC000061925565 562703590 /nfs/dbraw/zinc/70/35/90/562703590.db2.gz QGIJKXAAFPKWRE-UHFFFAOYSA-N 1 1 525.052 7.114 3 0 KKAFMO COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(C[NH+]5CCOCC5)cc4)ccc3n2C)c1 ZINC000061949467 562704265 /nfs/dbraw/zinc/70/42/65/562704265.db2.gz UGSUYPKBQSUZAN-UHFFFAOYSA-N 1 1 524.686 7.090 3 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000064436810 562705216 /nfs/dbraw/zinc/70/52/16/562705216.db2.gz KRHBVAWBKLCFPR-SFTDATJTSA-N 1 1 533.039 5.548 1 0 KKAFMO CCN(CC)CC[NH2+]Cc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447260 562705378 /nfs/dbraw/zinc/70/53/78/562705378.db2.gz CWNSNVQIEOGVMW-UHFFFAOYSA-N 1 1 580.773 6.947 1 0 KKAFMO CC[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448612 562705555 /nfs/dbraw/zinc/70/55/55/562705555.db2.gz DVDIKQQQXLCKGK-SFTDATJTSA-N 1 1 548.601 5.563 1 0 KKAFMO Clc1ccc([C@H](c2ccccc2)N2CCC[N@@H+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000064491757 562705965 /nfs/dbraw/zinc/70/59/65/562705965.db2.gz RTXSHWCVMKPGAX-PMERELPUSA-N 1 1 519.520 7.141 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000064539996 562707648 /nfs/dbraw/zinc/70/76/48/562707648.db2.gz HIVHEOCGLZASLB-YKSBVNFPSA-N 1 1 521.678 6.110 1 0 KKAFMO COc1ccc(C2(CCC[N@H+]3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064549895 562708191 /nfs/dbraw/zinc/70/81/91/562708191.db2.gz YACCVVUNICRPSW-WJOKGBTCSA-N 1 1 531.693 5.872 1 0 KKAFMO CC(C)(C)c1ccc(C2(CCC[N@H+]3CCc4cc(OCc5ccccc5)ccc4[C@H](O)C3)OCC(C)(C)CO2)cc1 ZINC000064550068 562708224 /nfs/dbraw/zinc/70/82/24/562708224.db2.gz ZLRSPZURKJYEMQ-MGBGTMOVSA-N 1 1 557.775 7.161 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559076 562708358 /nfs/dbraw/zinc/70/83/58/562708358.db2.gz GYHHALPUXKNWQM-PPYDQSFFSA-N 1 1 551.042 6.058 1 0 KKAFMO Clc1ccc2c(c1)nccc2Nc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccccc3)n2)c1 ZINC000066065974 562709264 /nfs/dbraw/zinc/70/92/64/562709264.db2.gz BIRAXDOTGTVICD-UHFFFAOYSA-N 1 1 582.112 6.438 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000066073980 562709596 /nfs/dbraw/zinc/70/95/96/562709596.db2.gz PASMKWHBPPXXIM-YAZNYETNSA-N 1 1 542.749 6.007 1 0 KKAFMO CC(C)c1ccc(-c2ccc(NC(=O)[C@H]([NH2+]CCN3CCCCC3)c3ccc(/C=C/C(=O)Nc4ccccc4N)cc3)cc2)cc1 ZINC000066101593 562711378 /nfs/dbraw/zinc/71/13/78/562711378.db2.gz BYWHBBZUWYOAJA-DRMYUUQQSA-N 1 1 615.822 7.466 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136358 562713071 /nfs/dbraw/zinc/71/30/71/562713071.db2.gz QBCPLURXVNHHSR-YDPTYEFTSA-N 1 1 628.009 6.270 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066139089 562713415 /nfs/dbraw/zinc/71/34/15/562713415.db2.gz HPUMWFTUTXMAAY-RLYJWURVSA-N 1 1 613.780 5.507 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066139089 562713416 /nfs/dbraw/zinc/71/34/16/562713416.db2.gz HPUMWFTUTXMAAY-RLYJWURVSA-N 1 1 613.780 5.507 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000066148771 562713656 /nfs/dbraw/zinc/71/36/56/562713656.db2.gz AGQRDMGTSVKJPI-GTNJKRJXSA-N 1 1 599.654 5.025 3 0 KKAFMO CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167024 562714213 /nfs/dbraw/zinc/71/42/13/562714213.db2.gz PGSAXCJWCDSMCF-DEOSSOPVSA-N 1 1 521.727 5.319 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000066251478 562714486 /nfs/dbraw/zinc/71/44/86/562714486.db2.gz FHTLJCQFEZNOSQ-UHFFFAOYSA-N 1 1 512.695 5.099 1 0 KKAFMO CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000066259002 562715153 /nfs/dbraw/zinc/71/51/53/562715153.db2.gz GBYAZONQWPEDEC-HXUWFJFHSA-N 1 1 579.593 5.788 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)CO)CC1 ZINC000071280656 562716546 /nfs/dbraw/zinc/71/65/46/562716546.db2.gz IBTNQJYKQQGHQP-FITHBNAOSA-N 1 1 528.741 5.482 1 0 KKAFMO Nc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281522 562716705 /nfs/dbraw/zinc/71/67/05/562716705.db2.gz HHXBZMLYKPYBGU-ULJKERAFSA-N 1 1 533.720 6.051 1 0 KKAFMO Nc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071281522 562716706 /nfs/dbraw/zinc/71/67/06/562716706.db2.gz HHXBZMLYKPYBGU-ULJKERAFSA-N 1 1 533.720 6.051 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nc(=S)o[nH]3)c2)CC1 ZINC000071294871 562717032 /nfs/dbraw/zinc/71/70/32/562717032.db2.gz WHZHFIXHFVIZHI-BETPUDKTSA-N 1 1 632.834 7.116 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(-c3nc(=S)o[nH]3)c2)CC1 ZINC000071294871 562717033 /nfs/dbraw/zinc/71/70/33/562717033.db2.gz WHZHFIXHFVIZHI-BETPUDKTSA-N 1 1 632.834 7.116 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000071316368 562717893 /nfs/dbraw/zinc/71/78/93/562717893.db2.gz UXVWNNLEVYCLBG-JYFHCDHNSA-N 1 1 542.598 5.419 1 0 KKAFMO CO[C@@]12CCCC[C@@]13CC[N@@H+](CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)OCc2ccccc2)cc13 ZINC000071316785 562718062 /nfs/dbraw/zinc/71/80/62/562718062.db2.gz OVPROZAAWKHKOP-GFMHJGOASA-N 1 1 615.855 8.084 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000071334638 562719651 /nfs/dbraw/zinc/71/96/51/562719651.db2.gz QFGLZVPTFMTCKV-UJLHVFMHSA-N 1 1 569.061 6.132 1 0 KKAFMO Cc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1Cl ZINC000072105528 562720854 /nfs/dbraw/zinc/72/08/54/562720854.db2.gz NVHXWAIZRYQWMQ-UHFFFAOYSA-N 1 1 520.892 5.391 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107088 562721186 /nfs/dbraw/zinc/72/11/86/562721186.db2.gz NSVHQTYRLWNOFR-PZWMIYICSA-N 1 1 676.292 8.131 1 0 KKAFMO c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2c([nH+]c3ccccc31)-c1ccccc1C2 ZINC000072113363 562722352 /nfs/dbraw/zinc/72/23/52/562722352.db2.gz NQXQNWAFOUTKOY-UHFFFAOYSA-N 1 1 560.745 9.400 1 0 KKAFMO O=C1C(c2cccs2)=C(c2c[nH]c3ccccc32)C(=O)N1CCNCCC[NH2+]CCN1C(=O)C(c2cccs2)=C(c2c[nH]c3ccccc32)C1=O ZINC000072113535 562722430 /nfs/dbraw/zinc/72/24/30/562722430.db2.gz UOQYSBZJZKECSK-UHFFFAOYSA-N 1 1 714.873 5.601 1 0 KKAFMO C[N@@H+](CCc1ccccc1)CC1=Cc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000072114113 562722652 /nfs/dbraw/zinc/72/26/52/562722652.db2.gz JTXPQHDLXYZOSC-UHFFFAOYSA-N 1 1 507.077 7.763 1 0 KKAFMO Cc1ccc(-c2cc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccc3ccccc3n2)cc1 ZINC000072119854 562723889 /nfs/dbraw/zinc/72/38/89/562723889.db2.gz YKBZLLVSEVPVRR-UHFFFAOYSA-N 1 1 571.769 6.970 1 0 KKAFMO COc1ccc(-n2nc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(F)cc2)nn1 ZINC000072121434 562724252 /nfs/dbraw/zinc/72/42/52/562724252.db2.gz CACFKPKYDGBCAP-UHFFFAOYSA-N 1 1 556.686 5.052 1 0 KKAFMO Brc1ccc2[nH+]c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(NC3CCCCC3)n2c1 ZINC000072123165 562724694 /nfs/dbraw/zinc/72/46/94/562724694.db2.gz BEQDWZVZWKHHRC-UHFFFAOYSA-N 1 1 582.542 8.666 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)(C)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000072123305 562724708 /nfs/dbraw/zinc/72/47/08/562724708.db2.gz GJLNONMXNYAOTE-MMLCPGSSSA-N 1 1 543.748 5.736 1 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127730 562725892 /nfs/dbraw/zinc/72/58/92/562725892.db2.gz OHKIQZQGBKFRKA-BBACVFHCSA-N 1 1 662.026 6.467 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 562726167 /nfs/dbraw/zinc/72/61/67/562726167.db2.gz KLCGXTOUCTZGOO-FITHBNAOSA-N 1 1 696.264 7.080 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2F)CC1 ZINC000072128776 562726354 /nfs/dbraw/zinc/72/63/54/562726354.db2.gz ZLWQWQHSUOIEMO-ZVBBVAIHSA-N 1 1 682.237 6.356 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2Cl)CC1 ZINC000072129837 562726459 /nfs/dbraw/zinc/72/64/59/562726459.db2.gz QDNYTPPKWHGRTA-BWMKXQIXSA-N 1 1 678.274 6.941 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(O)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129851 562726498 /nfs/dbraw/zinc/72/64/98/562726498.db2.gz OPNZVJCPRYEKIM-FITHBNAOSA-N 1 1 662.256 5.783 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cc(Cl)cc(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129944 562726593 /nfs/dbraw/zinc/72/65/93/562726593.db2.gz QIWBAGAFCNFWSW-ULJKERAFSA-N 1 1 715.147 7.385 1 0 KKAFMO Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCC[N@H+]2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134221 562727302 /nfs/dbraw/zinc/72/73/02/562727302.db2.gz JMUQRGSDGTXYBZ-ZQWQDMLBSA-N 1 1 726.069 6.759 3 0 KKAFMO CCC[N@@H+](C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000072135848 562727619 /nfs/dbraw/zinc/72/76/19/562727619.db2.gz DPWBPPWCHVQSHF-RPQPUBLWSA-N 1 1 553.744 5.076 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000072136094 562727759 /nfs/dbraw/zinc/72/77/59/562727759.db2.gz VLUBEHZZNKTZLC-RWYJCYHVSA-N 1 1 603.522 6.129 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072136893 562728181 /nfs/dbraw/zinc/72/81/81/562728181.db2.gz ATTUPCZLFJNLHD-HQPLKVBUSA-N 1 1 714.058 6.528 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072139380 562728905 /nfs/dbraw/zinc/72/89/05/562728905.db2.gz ALEFYJITYVGOBP-WISKXVKBSA-N 1 1 730.057 6.233 3 0 KKAFMO Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000072142261 562729488 /nfs/dbraw/zinc/72/94/88/562729488.db2.gz DSLXXXJCMRSMHC-JLBZDQGGSA-N 1 1 515.665 5.248 3 0 KKAFMO O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072172152 562730639 /nfs/dbraw/zinc/73/06/39/562730639.db2.gz PJFOJQRFCJSASI-RLDRVVDPSA-N 1 1 630.593 5.076 1 0 KKAFMO O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173167 562730801 /nfs/dbraw/zinc/73/08/01/562730801.db2.gz WZHDTIWURQJJTP-ZKBJDZFASA-N 1 1 691.499 5.700 1 0 KKAFMO O=C(/C=C/c1cccc(Br)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173180 562730809 /nfs/dbraw/zinc/73/08/09/562730809.db2.gz CGCJJVLLFJMPLA-OBBFJSJASA-N 1 1 691.499 5.700 1 0 KKAFMO Cc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072173329 562730900 /nfs/dbraw/zinc/73/09/00/562730900.db2.gz SNCULRHUDNWAIY-NKJFVREDSA-N 1 1 626.630 5.245 1 0 KKAFMO Cc1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072173328 562730902 /nfs/dbraw/zinc/73/09/02/562730902.db2.gz SNCULRHUDNWAIY-FZCLKQLMSA-N 1 1 626.630 5.245 1 0 KKAFMO Cc1ccc(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3[S@](=O)c3ccccc3C2=O)c(C)c1 ZINC000072173430 562730935 /nfs/dbraw/zinc/73/09/35/562730935.db2.gz ZJRYVYSMLLTUKI-FAIXQHPJSA-N 1 1 557.760 6.015 1 0 KKAFMO O=C(/C=C/c1ccccc1F)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173396 562730963 /nfs/dbraw/zinc/73/09/63/562730963.db2.gz ZQJYXFFNSUOLKO-PJCMVOJSSA-N 1 1 630.593 5.076 1 0 KKAFMO C[N@@H+](CCN1CCN(N)CC1)Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)cc1 ZINC000072182467 562732869 /nfs/dbraw/zinc/73/28/69/562732869.db2.gz YMLAHNMDBQZXRZ-UHFFFAOYSA-N 1 1 694.837 6.292 1 0 KKAFMO CC1(C)C[C@@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(=O)NC4CCCCC4)CC3)C2)C(=O)O1 ZINC000073139490 562733428 /nfs/dbraw/zinc/73/34/28/562733428.db2.gz KFNHIONVGXVTNZ-WJOKGBTCSA-N 1 1 566.768 5.768 1 0 KKAFMO C[NH+](C)CCCNc1nc(NCc2ccc(C(F)(F)F)cc2)nc(NCc2ccc(C(F)(F)F)cc2)n1 ZINC000073199290 562735999 /nfs/dbraw/zinc/73/59/99/562735999.db2.gz XGJLXNSFHIIVQQ-UHFFFAOYSA-N 1 1 527.517 5.497 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(F)cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000073370736 562738428 /nfs/dbraw/zinc/73/84/28/562738428.db2.gz MJJXCIAWUYSLTC-VUYBWUDLSA-N 1 1 634.793 6.397 1 0 KKAFMO CN1CCN(CCC(=O)O[C@@H]2CC3([NH+]4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150146 562739749 /nfs/dbraw/zinc/73/97/49/562739749.db2.gz NWCDXZDSLNCFBZ-WYJFYEORSA-N 1 1 515.742 5.142 1 0 KKAFMO COc1ccc(C[C@@H]2CC(=O)N(c3ccccc3C(=O)OC[C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)C2=O)cc1 ZINC000082153445 562740214 /nfs/dbraw/zinc/74/02/14/562740214.db2.gz UNYHZMFOWCLOMI-VSGBNLITSA-N 1 1 554.687 5.319 1 0 KKAFMO O=C(N[C@H]1c2ccccc2C/C=C/COc2cccc3c2[C@@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](C[N@@H+]2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000082154133 562740254 /nfs/dbraw/zinc/74/02/54/562740254.db2.gz FXHOZWWSCCJRPU-GOPAMZTCSA-N 1 1 644.724 5.108 1 0 KKAFMO O=C(N[C@H]1c2ccccc2C/C=C/COc2cccc3c2[C@@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](C[N@H+]2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000082154133 562740255 /nfs/dbraw/zinc/74/02/55/562740255.db2.gz FXHOZWWSCCJRPU-GOPAMZTCSA-N 1 1 644.724 5.108 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157520 562740962 /nfs/dbraw/zinc/74/09/62/562740962.db2.gz UUJNEICCDMYHRP-SHUZPENHSA-N 1 1 705.889 5.419 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164953 562741346 /nfs/dbraw/zinc/74/13/46/562741346.db2.gz ANPQBASXSZBVPK-AFPLUKJUSA-N 1 1 709.852 5.249 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165064 562741366 /nfs/dbraw/zinc/74/13/66/562741366.db2.gz YPTCVVCGFGDLDX-VBTAUBHQSA-N 1 1 709.852 5.249 1 0 KKAFMO O=C1C[C@@H](NCCC[NH2+][C@@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196879 562742809 /nfs/dbraw/zinc/74/28/09/562742809.db2.gz XJPIHZDMMXEDHA-RNFRBKRXSA-N 1 1 662.061 6.384 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000084462341 562743133 /nfs/dbraw/zinc/74/31/33/562743133.db2.gz PEIMIJSROKINQZ-MHZLTWQESA-N 1 1 602.584 5.008 1 0 KKAFMO CC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(Cl)c(Cl)c1 ZINC000084466229 562743171 /nfs/dbraw/zinc/74/31/71/562743171.db2.gz IPDICQSCOJWHPT-UHFFFAOYSA-N 1 1 543.848 8.051 1 0 KKAFMO CC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccc(Cl)c(Cl)c1 ZINC000084466229 562743172 /nfs/dbraw/zinc/74/31/72/562743172.db2.gz IPDICQSCOJWHPT-UHFFFAOYSA-N 1 1 543.848 8.051 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2cc(F)cc(F)c2)n1 ZINC000084596537 562743722 /nfs/dbraw/zinc/74/37/22/562743722.db2.gz GZNHYMHPPOVXIP-IZZNHLLZSA-N 1 1 542.621 5.957 1 0 KKAFMO CC(C)(C)[N@@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)N2CCC(c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)CC2)C1 ZINC000084603980 562744217 /nfs/dbraw/zinc/74/42/17/562744217.db2.gz XVTHIKWKZYCYJU-BJKOFHAPSA-N 1 1 595.056 7.043 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084617263 562744838 /nfs/dbraw/zinc/74/48/38/562744838.db2.gz KWNOUBVBEBGONG-IBGZPJMESA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084617263 562744839 /nfs/dbraw/zinc/74/48/39/562744839.db2.gz KWNOUBVBEBGONG-IBGZPJMESA-N 1 1 623.709 5.668 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)OCO5)N(C)CC4 ZINC000084653887 562747037 /nfs/dbraw/zinc/74/70/37/562747037.db2.gz ABNXNHKPUGFTDJ-VMPREFPWSA-N 1 1 636.745 6.883 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000084672063 562748731 /nfs/dbraw/zinc/74/87/31/562748731.db2.gz MDFWPYZNXYAWAK-RRPNLBNLSA-N 1 1 585.715 6.009 1 0 KKAFMO Cc1[nH+]c(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2c(ccnc2C(C)C)s1 ZINC000084688733 562749254 /nfs/dbraw/zinc/74/92/54/562749254.db2.gz RRMOXFCHSHVYII-QVWBYJNFSA-N 1 1 618.682 5.166 1 0 KKAFMO Cc1cc2sc(-c3c(C)[nH+]c(N[C@H](C)c4ccc(OC(F)(F)F)cc4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)nc2c(C2CC2)n1 ZINC000084689900 562749414 /nfs/dbraw/zinc/74/94/14/562749414.db2.gz ZELQPJZETNJWRF-NQOAKRMUSA-N 1 1 630.693 5.229 1 0 KKAFMO C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CN(CCc2ccc(F)cc2)Cc2ccccn2)cc1)c1cccc2ccccc21 ZINC000084757352 562752392 /nfs/dbraw/zinc/75/23/92/562752392.db2.gz CCIXUQAEAWQXGP-AIJWEMPKSA-N 1 1 673.837 5.858 1 0 KKAFMO C[N@@H+](CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000084757227 562752414 /nfs/dbraw/zinc/75/24/14/562752414.db2.gz LPCKLAOPKGFZKH-UHFFFAOYSA-N 1 1 528.649 6.195 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@H]2CC[N@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758697 562752700 /nfs/dbraw/zinc/75/27/00/562752700.db2.gz IAADTHQACMECFU-HHHXNRCGSA-N 1 1 590.843 9.069 1 0 KKAFMO CC(C)(C)c1cc(CNC[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758697 562752701 /nfs/dbraw/zinc/75/27/01/562752701.db2.gz IAADTHQACMECFU-HHHXNRCGSA-N 1 1 590.843 9.069 1 0 KKAFMO COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884071 562753095 /nfs/dbraw/zinc/75/30/95/562753095.db2.gz DAGRHBYUCYVLNY-VMPREFPWSA-N 1 1 536.503 6.041 1 0 KKAFMO O=C(CCN1CCOCC1)Nc1ccc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4ccc(NC(=O)CC[NH+]5CCOCC5)cc4)c3)c2)cc1 ZINC000095542975 562756998 /nfs/dbraw/zinc/75/69/98/562756998.db2.gz PDVKBXVGFMTRMA-UHFFFAOYSA-N 1 1 762.868 5.157 1 0 KKAFMO CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[N@@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@H]1F ZINC000095552631 562760713 /nfs/dbraw/zinc/76/07/13/562760713.db2.gz UFYHSHPKWNIZHL-RSXGOPAZSA-N 1 1 514.571 5.244 1 0 KKAFMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@H]1F ZINC000095552631 562760714 /nfs/dbraw/zinc/76/07/14/562760714.db2.gz UFYHSHPKWNIZHL-RSXGOPAZSA-N 1 1 514.571 5.244 1 0 KKAFMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@H]1F ZINC000095552631 562760715 /nfs/dbraw/zinc/76/07/15/562760715.db2.gz UFYHSHPKWNIZHL-RSXGOPAZSA-N 1 1 514.571 5.244 1 0 KKAFMO Fc1cc([C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)c2ccc(Cl)cc2)ccc1C[NH+]1CCCC1 ZINC000095555496 562761542 /nfs/dbraw/zinc/76/15/42/562761542.db2.gz FYYHDKQPTNFAPC-MHZLTWQESA-N 1 1 513.966 7.843 1 0 KKAFMO Nc1sc(-c2ccc(Cl)cc2)c(C[NH+]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556936 562761943 /nfs/dbraw/zinc/76/19/43/562761943.db2.gz HSGPTUOPTXMCGT-UHFFFAOYSA-N 1 1 624.943 8.530 1 0 KKAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095566270 562764833 /nfs/dbraw/zinc/76/48/33/562764833.db2.gz DZGZFXRKNSZUSK-JLELKNTQSA-N 1 1 573.738 5.285 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095566302 562764870 /nfs/dbraw/zinc/76/48/70/562764870.db2.gz IFLLFBGKWUQYRJ-WNQKLBQRSA-N 1 1 721.899 6.941 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566635 562765122 /nfs/dbraw/zinc/76/51/22/562765122.db2.gz HSYUUPPAKBJHIW-SGHJWQDXSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095566756 562765270 /nfs/dbraw/zinc/76/52/70/562765270.db2.gz NHGHJDDGJPIKGB-BUEREQSYSA-N 1 1 590.687 5.512 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095566943 562765385 /nfs/dbraw/zinc/76/53/85/562765385.db2.gz DKFJGYQTLBOWCX-MKGJDZFWSA-N 1 1 558.723 5.493 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567103 562765528 /nfs/dbraw/zinc/76/55/28/562765528.db2.gz OFYJPRSBIVOGOZ-HNMNOHOESA-N 1 1 666.663 6.649 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567324 562765676 /nfs/dbraw/zinc/76/56/76/562765676.db2.gz AOGINIYPPPQZNW-QKPBDYBRSA-N 1 1 702.856 5.546 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095567356 562765718 /nfs/dbraw/zinc/76/57/18/562765718.db2.gz AMEWTOKWBIKYEC-AZAGJHQNSA-N 1 1 664.807 5.446 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095567441 562765793 /nfs/dbraw/zinc/76/57/93/562765793.db2.gz VYCOOHAMPRTWAW-NNTYELGISA-N 1 1 719.927 6.745 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567478 562765849 /nfs/dbraw/zinc/76/58/49/562765849.db2.gz YUKCNNACWFASQX-BCDQWZCSSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567520 562765867 /nfs/dbraw/zinc/76/58/67/562765867.db2.gz XVJMWCXMALPRRA-USUMGCFOSA-N 1 1 661.796 5.700 1 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCC[NH+]3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095567548 562765910 /nfs/dbraw/zinc/76/59/10/562765910.db2.gz RFTCBNQSCRPSMN-FTTHUCCCSA-N 1 1 630.811 5.315 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095568107 562766352 /nfs/dbraw/zinc/76/63/52/562766352.db2.gz XJOPVLQFFGEWNL-JWUQWVJQSA-N 1 1 597.678 5.168 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568251 562766445 /nfs/dbraw/zinc/76/64/45/562766445.db2.gz BYLIWFZGYMHZPB-SFXKCFQESA-N 1 1 674.764 7.297 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568294 562766513 /nfs/dbraw/zinc/76/65/13/562766513.db2.gz KHFPDWFEACXBKS-DGHZZKTQSA-N 1 1 678.251 6.214 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095568643 562766816 /nfs/dbraw/zinc/76/68/16/562766816.db2.gz XHCFGJIATIGRMD-UTKFAANNSA-N 1 1 650.780 5.517 1 0 KKAFMO FC(F)(F)c1cccc(C[C@@H]2C[N@@H+](Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569031 562767110 /nfs/dbraw/zinc/76/71/10/562767110.db2.gz OFGKYXXVDCFLBX-MUUNZHRXSA-N 1 1 541.444 8.777 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570791 562768514 /nfs/dbraw/zinc/76/85/14/562768514.db2.gz STCNQGKHPZHYJD-XDWGWCSASA-N 1 1 711.826 6.096 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095570822 562768554 /nfs/dbraw/zinc/76/85/54/562768554.db2.gz RPRLDAPZKHIQPO-MZXMJASYSA-N 1 1 643.806 5.940 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095570822 562768555 /nfs/dbraw/zinc/76/85/55/562768555.db2.gz RPRLDAPZKHIQPO-MZXMJASYSA-N 1 1 643.806 5.940 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095571348 562768990 /nfs/dbraw/zinc/76/89/90/562768990.db2.gz PIPSXTOHKBCCEO-VBEKBXFHSA-N 1 1 702.790 7.416 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095571486 562769035 /nfs/dbraw/zinc/76/90/35/562769035.db2.gz BACUFSHCHJQBQC-ITEXHPTBSA-N 1 1 652.877 6.647 1 0 KKAFMO CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CN(c4nccs4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095571812 562769243 /nfs/dbraw/zinc/76/92/43/562769243.db2.gz HZDBHXACFJDRIT-RXFWQSSRSA-N 1 1 530.691 5.064 1 0 KKAFMO CC(C)(C)[N@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095575261 562770257 /nfs/dbraw/zinc/77/02/57/562770257.db2.gz AZBTWACSPBCZKC-BWDSRVSCSA-N 1 1 517.073 6.027 1 0 KKAFMO C[N@H+]1CC(c2ccc(N3CCCCC3)cc2)C2(Cc3ccccc3C2=O)C12c1cccc3cccc(c13)C2=O ZINC000095587662 562774392 /nfs/dbraw/zinc/77/43/92/562774392.db2.gz JHYNRHPRTDENDW-DCCHFUKUSA-N 1 1 512.653 6.376 1 0 KKAFMO C[N@@H+]1C[C@H](c2ccc(N3CCCCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095587662 562774394 /nfs/dbraw/zinc/77/43/94/562774394.db2.gz JHYNRHPRTDENDW-DCCHFUKUSA-N 1 1 512.653 6.376 1 0 KKAFMO C[N@H+]1C[C@H](c2ccc(N3CCCCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@@]12c1cccc3cccc(c13)C2=O ZINC000095587662 562774395 /nfs/dbraw/zinc/77/43/95/562774395.db2.gz JHYNRHPRTDENDW-DCCHFUKUSA-N 1 1 512.653 6.376 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095591400 562775621 /nfs/dbraw/zinc/77/56/21/562775621.db2.gz GQUAAJHEELJJGV-DGDULGEYSA-N 1 1 507.715 5.338 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095592528 562775939 /nfs/dbraw/zinc/77/59/39/562775939.db2.gz NJGRAUIMWPFJGV-SSJILJQQSA-N 1 1 507.715 5.338 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095592463 562775946 /nfs/dbraw/zinc/77/59/46/562775946.db2.gz YYGPGGFPRRXHSI-VTRXWXBFSA-N 1 1 521.742 5.728 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@@H+](Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095598771 562777519 /nfs/dbraw/zinc/77/75/19/562777519.db2.gz GFBOARZMZBDAJD-OVMXQCPESA-N 1 1 573.738 5.286 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095598846 562777559 /nfs/dbraw/zinc/77/75/59/562777559.db2.gz VEYXNSARLJIJRR-GHVZQYPWSA-N 1 1 684.800 7.277 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598789 562777582 /nfs/dbraw/zinc/77/75/82/562777582.db2.gz LFZLAWVTNRSJHJ-CCSCYZPPSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095598943 562777690 /nfs/dbraw/zinc/77/76/90/562777690.db2.gz DWBBIMOOPOSMMP-SGHJWQDXSA-N 1 1 617.549 6.058 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3ccc(NC(=O)CCCCCC(=O)Nc4ccccc4N)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095599069 562777749 /nfs/dbraw/zinc/77/77/49/562777749.db2.gz ALYJUPPMRYPVCX-DOBRQBTGSA-N 1 1 673.855 5.086 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095599110 562777771 /nfs/dbraw/zinc/77/77/71/562777771.db2.gz VEYXNSARLJIJRR-WYOWBBOASA-N 1 1 684.800 7.277 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095599267 562777935 /nfs/dbraw/zinc/77/79/35/562777935.db2.gz KTOLAWMRFLMANX-RIKJNLPISA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095599488 562778107 /nfs/dbraw/zinc/77/81/07/562778107.db2.gz CMAOMNSLQLVSHG-PQDHALMWSA-N 1 1 636.715 5.730 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599530 562778121 /nfs/dbraw/zinc/77/81/21/562778121.db2.gz LZRMYYQDLQFCEK-LFSBMLFJSA-N 1 1 728.809 7.006 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095599562 562778163 /nfs/dbraw/zinc/77/81/63/562778163.db2.gz KTOLAWMRFLMANX-FOWIORFYSA-N 1 1 683.812 6.814 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599988 562778530 /nfs/dbraw/zinc/77/85/30/562778530.db2.gz JUEHVKXRGUAEIX-MEEIBLSFSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600105 562778624 /nfs/dbraw/zinc/77/86/24/562778624.db2.gz RBOAJFBNHJWMOW-FBTROWELSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600357 562778873 /nfs/dbraw/zinc/77/88/73/562778873.db2.gz AOVZEKKCHSEONH-BWLKTWDLSA-N 1 1 655.833 5.554 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600549 562779023 /nfs/dbraw/zinc/77/90/23/562779023.db2.gz UQRVVYXDOOLUAO-CZWSTMTISA-N 1 1 723.830 6.573 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600713 562779155 /nfs/dbraw/zinc/77/91/55/562779155.db2.gz ORCUQVZUTYUDHO-SEXOINJZSA-N 1 1 585.532 5.990 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095601310 562779560 /nfs/dbraw/zinc/77/95/60/562779560.db2.gz NLLHBBQRIGOQNO-SNCSJZQCSA-N 1 1 641.813 5.392 1 0 KKAFMO 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)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095601629 562779652 /nfs/dbraw/zinc/77/96/52/562779652.db2.gz WRYGCPSZOBAIIH-BUACAMDTSA-N 1 1 728.809 7.006 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601980 562779843 /nfs/dbraw/zinc/77/98/43/562779843.db2.gz ZBBNPLMVFVREHD-RIKJNLPISA-N 1 1 719.867 6.742 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095602778 562780239 /nfs/dbraw/zinc/78/02/39/562780239.db2.gz BWUBMXZZYOWTMV-DGIFUFQNSA-N 1 1 628.692 5.639 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603063 562780363 /nfs/dbraw/zinc/78/03/63/562780363.db2.gz UIKXZKCHSBRXDR-ZUDLYUOYSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603349 562780459 /nfs/dbraw/zinc/78/04/59/562780459.db2.gz ZKPAWGOFKUDAFA-FYZNHFMZSA-N 1 1 685.788 6.672 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095604323 562781001 /nfs/dbraw/zinc/78/10/01/562781001.db2.gz XGMQKVJTWVADHD-BTHRYZMCSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604643 562781181 /nfs/dbraw/zinc/78/11/81/562781181.db2.gz BXFZIXJRVHHTCE-BWLKTWDLSA-N 1 1 678.336 6.448 1 0 KKAFMO 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)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095604852 562781244 /nfs/dbraw/zinc/78/12/44/562781244.db2.gz WRYGCPSZOBAIIH-LFSBMLFJSA-N 1 1 728.809 7.006 1 0 KKAFMO CCC[N@@H+](C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095605151 562781389 /nfs/dbraw/zinc/78/13/89/562781389.db2.gz GBZUPZRZKNXASB-NULUGNBJSA-N 1 1 636.756 6.487 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095605754 562781713 /nfs/dbraw/zinc/78/17/13/562781713.db2.gz JUEHVKXRGUAEIX-YIQPJHJLSA-N 1 1 753.690 8.584 1 0 KKAFMO CCCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606410 562782073 /nfs/dbraw/zinc/78/20/73/562782073.db2.gz MRFRACBBILXIMQ-JYIZODLMSA-N 1 1 632.865 7.206 1 0 KKAFMO O=C(C[C@@H](C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000095613075 562786066 /nfs/dbraw/zinc/78/60/66/562786066.db2.gz PBYXSJCYHSKILU-XFKFVYQCSA-N 1 1 779.860 5.954 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc2ccccc2c1 ZINC000095670067 562788276 /nfs/dbraw/zinc/78/82/76/562788276.db2.gz UZVLCYSJIDJZJW-LITSAYRRSA-N 1 1 509.568 6.741 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095754189 562788918 /nfs/dbraw/zinc/78/89/18/562788918.db2.gz YDQHBDWJWTWAAY-KSWJDTNCSA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797944 562789192 /nfs/dbraw/zinc/78/91/92/562789192.db2.gz BGHRQJUTYMMBFS-TVUFSCHNSA-N 1 1 564.726 6.636 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095833995 562789372 /nfs/dbraw/zinc/78/93/72/562789372.db2.gz HCIBUZGQUWCBJD-IPVFLDMMSA-N 1 1 564.752 5.281 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095846276 562789502 /nfs/dbraw/zinc/78/95/02/562789502.db2.gz HPUMWFTUTXMAAY-ZJDJHBDQSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095846276 562789503 /nfs/dbraw/zinc/78/95/03/562789503.db2.gz HPUMWFTUTXMAAY-ZJDJHBDQSA-N 1 1 613.780 5.507 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095854216 562789598 /nfs/dbraw/zinc/78/95/98/562789598.db2.gz BZQGFEPSUFQXHE-DSRMTXSPSA-N 1 1 648.225 6.160 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095855587 562789660 /nfs/dbraw/zinc/78/96/60/562789660.db2.gz RUOZLMFIBHXSJW-GTNJKRJXSA-N 1 1 584.639 5.702 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2C(F)(F)F)OCc2ccccc2-c2ccccc2C1=O ZINC000095867121 562789795 /nfs/dbraw/zinc/78/97/95/562789795.db2.gz FDAULICGQFNBRP-IEOSBIPESA-N 1 1 540.626 5.862 1 0 KKAFMO COc1cccc(C[N@@H+](C)C[C@H]2OCc3ccccc3-c3c4ccccc4n(C)c3C(=O)N([C@@H](C)CO)C[C@H]2C)c1 ZINC000095869124 562789947 /nfs/dbraw/zinc/78/99/47/562789947.db2.gz DIYZUOHLOSFTTI-ULPIOCOXSA-N 1 1 555.719 5.344 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3cn(-c4ccncc4)nn3)cccc2C1=O ZINC000095872122 562789967 /nfs/dbraw/zinc/78/99/67/562789967.db2.gz UQZBRCMHXQUDCW-UVMFRMCBSA-N 1 1 602.739 6.501 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869069 562789980 /nfs/dbraw/zinc/78/99/80/562789980.db2.gz GFQKDUOYURHVMT-IQLGONJTSA-N 1 1 543.683 5.474 1 0 KKAFMO CC(C)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](C[N@@H+](C)Cc2ccc(Cl)cc2)[C@H]1C ZINC000095872164 562790023 /nfs/dbraw/zinc/79/00/23/562790023.db2.gz DIHBGHFRRATSBS-KBMIEXCESA-N 1 1 507.034 5.119 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872175 562790029 /nfs/dbraw/zinc/79/00/29/562790029.db2.gz GWOTWXPUOHLDRB-RXFWQSSRSA-N 1 1 521.061 5.367 1 0 KKAFMO c1ccc(O[C@H]2CCC[N@H+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174122 562791685 /nfs/dbraw/zinc/79/16/85/562791685.db2.gz PHHDDLBCGRGYOL-VWLOTQADSA-N 1 1 500.606 6.097 1 0 KKAFMO COCC[N@H+]1CC[C@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175759 562791989 /nfs/dbraw/zinc/79/19/89/562791989.db2.gz KEQFQZOUNFMJHA-QHCPKHFHSA-N 1 1 661.829 5.442 1 0 KKAFMO Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@@H+](C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284741 562795310 /nfs/dbraw/zinc/79/53/10/562795310.db2.gz AMWSJQSAVVUQOG-XIFFEERXSA-N 1 1 633.797 6.358 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302068 562796222 /nfs/dbraw/zinc/79/62/22/562796222.db2.gz MDTAKMHHAHITNR-FKCWAMBHSA-N 1 1 560.758 6.027 1 0 KKAFMO CCn1nc(Cc2cccnc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096302084 562796254 /nfs/dbraw/zinc/79/62/54/562796254.db2.gz JJPCMURNTDRPSJ-QRLJAKNQSA-N 1 1 547.719 5.032 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)CC)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000096300744 562796262 /nfs/dbraw/zinc/79/62/62/562796262.db2.gz KBNMTSJOOYCNQU-UHFFFAOYSA-N 1 1 613.665 5.647 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)CC)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000096300744 562796263 /nfs/dbraw/zinc/79/62/63/562796263.db2.gz KBNMTSJOOYCNQU-UHFFFAOYSA-N 1 1 613.665 5.647 1 0 KKAFMO CC(C)S(=O)(=O)NCc1ccccc1C1(O)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318639 562796521 /nfs/dbraw/zinc/79/65/21/562796521.db2.gz WIFHHTCWNIKQKL-UHFFFAOYSA-N 1 1 547.548 5.894 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908965 562799516 /nfs/dbraw/zinc/79/95/16/562799516.db2.gz GYZAKTWXGPXTJO-UHFFFAOYSA-N 1 1 612.756 6.270 1 0 KKAFMO CC(C)[C@@H](C[N@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000096909602 562799665 /nfs/dbraw/zinc/79/96/65/562799665.db2.gz VAIZZFRVMOSSFX-RBTNQOKQSA-N 1 1 508.062 5.803 1 0 KKAFMO Cc1cc(C)cc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910123 562799897 /nfs/dbraw/zinc/79/98/97/562799897.db2.gz FMBDKMCAZJNAEI-QABMSTFYSA-N 1 1 501.671 5.766 1 0 KKAFMO CC(=O)O[C@@H](C(=O)OCCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096914887 562800915 /nfs/dbraw/zinc/80/09/15/562800915.db2.gz VCWOZQWJNIZWBF-WUFINQPMSA-N 1 1 546.023 5.336 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2c(cccc2OS(=O)(=O)c2ccc(C)cc2)C1 ZINC000096923588 562802143 /nfs/dbraw/zinc/80/21/43/562802143.db2.gz JECVAPXLXCEDIY-LJAQVGFWSA-N 1 1 547.765 5.154 1 0 KKAFMO COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c3ccccc3n2)c1 ZINC000096927380 562802635 /nfs/dbraw/zinc/80/26/35/562802635.db2.gz ZDDBCOHWFRLYHL-UHFFFAOYSA-N 1 1 688.756 7.752 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)nc3ccccc32)cc1F ZINC000096927381 562802640 /nfs/dbraw/zinc/80/26/40/562802640.db2.gz USGGPNGHCXQGQY-UHFFFAOYSA-N 1 1 693.175 8.397 1 0 KKAFMO COc1ccc(SC[C@@]2(O)C=C(CC(F)(F)F)C(=O)N2CCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000096939396 562804729 /nfs/dbraw/zinc/80/47/29/562804729.db2.gz QZNHGWSPRKOMAV-DEOSSOPVSA-N 1 1 537.991 5.511 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)NC(C)(C)C)CC1 ZINC000101193465 562809801 /nfs/dbraw/zinc/80/98/01/562809801.db2.gz UGRIWINFSBETFP-KUMHGWDASA-N 1 1 527.757 6.445 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(Cc2ncco2)CC1 ZINC000101193457 562809819 /nfs/dbraw/zinc/80/98/19/562809819.db2.gz GNTGLDHNPBBPGV-KUMHGWDASA-N 1 1 509.698 6.125 1 0 KKAFMO COc1ccc([C@H](C(=O)[O-])[NH+]2CCC(CC[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193583 562809839 /nfs/dbraw/zinc/80/98/39/562809839.db2.gz PQQXVQHDJSFGPZ-ZXFZPVEDSA-N 1 1 592.784 6.771 1 0 KKAFMO COc1ccc([C@@H](C(=O)[O-])[NH+]2CCC(CC[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](n3c(C)nc5ccccc53)C4)(c3ccccc3)CC2)cc1 ZINC000101193581 562809894 /nfs/dbraw/zinc/80/98/94/562809894.db2.gz PQQXVQHDJSFGPZ-OJMYRGQXSA-N 1 1 592.784 6.771 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1 ZINC000101446108 562810747 /nfs/dbraw/zinc/81/07/47/562810747.db2.gz AIEICGJWVNJQPK-UBRQYEGLSA-N 1 1 555.554 7.313 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccccc1C)c1ccccc1 ZINC000101463121 562810829 /nfs/dbraw/zinc/81/08/29/562810829.db2.gz DUYQIPZSCJDDKS-UQWUFBTJSA-N 1 1 500.691 6.315 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000101559903 562811281 /nfs/dbraw/zinc/81/12/81/562811281.db2.gz HEKQABCBYYCZHJ-INOCPDNRSA-N 1 1 524.661 5.481 1 0 KKAFMO CC[N@@H+](CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21)Cc1ccncc1 ZINC000101696207 562811809 /nfs/dbraw/zinc/81/18/09/562811809.db2.gz TVUDVRPJIVZRRB-UHFFFAOYSA-N 1 1 618.759 6.910 1 0 KKAFMO CN(C)CC[N@H+](C)CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696436 562811905 /nfs/dbraw/zinc/81/19/05/562811905.db2.gz ZHXSJYRQZRAUKV-UHFFFAOYSA-N 1 1 584.742 5.487 1 0 KKAFMO CN(C)CC[N@@H+](C)CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696436 562811906 /nfs/dbraw/zinc/81/19/06/562811906.db2.gz ZHXSJYRQZRAUKV-UHFFFAOYSA-N 1 1 584.742 5.487 1 0 KKAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000101792981 562812116 /nfs/dbraw/zinc/81/21/16/562812116.db2.gz GGRRKTMSURXTIF-OUOZDZGXSA-N 1 1 596.772 5.944 1 0 KKAFMO Cc1nc2cc(S(C)(=O)=O)ccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000102252359 562813040 /nfs/dbraw/zinc/81/30/40/562813040.db2.gz HDAOTFXRXUWWMH-PKQPGRETSA-N 1 1 585.774 6.353 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000102844981 562813415 /nfs/dbraw/zinc/81/34/15/562813415.db2.gz SBQOMISLKZTLHT-OUOZDZGXSA-N 1 1 512.742 6.509 1 0 KKAFMO NC(=O)[C@]1(c2nc(F)ccc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225824 562817749 /nfs/dbraw/zinc/81/77/49/562817749.db2.gz ABZVRDRWGKAJJI-YBCKSGLRSA-N 1 1 502.392 5.806 1 0 KKAFMO CC(C)(C)C[N@H+]1CC[C@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226401 562817807 /nfs/dbraw/zinc/81/78/07/562817807.db2.gz ZRQYABBZGJNCMK-GDLZYMKVSA-N 1 1 538.614 7.371 1 0 KKAFMO COc1cc(-c2cc(NC(=O)Nc3cc(OCCC[NH+]4CCOCC4)ccc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228664 562818035 /nfs/dbraw/zinc/81/80/35/562818035.db2.gz XXPYDVUIRQRWJD-UHFFFAOYSA-N 1 1 577.678 5.636 1 0 KKAFMO C[C@H](C[NH+](C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229646 562818072 /nfs/dbraw/zinc/81/80/72/562818072.db2.gz VWZHXQMQXIFFGW-OAHLLOKOSA-N 1 1 562.001 5.567 1 0 KKAFMO NC(=O)C[C@]1(Cc2ccc(O)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229882 562818096 /nfs/dbraw/zinc/81/80/96/562818096.db2.gz UYDBENOANLFGKT-VPIZKCOQSA-N 1 1 509.477 6.520 1 0 KKAFMO NC(=O)[C@]1(c2ccc(Br)nc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103230657 562818244 /nfs/dbraw/zinc/81/82/44/562818244.db2.gz FYVJVUUDRBJPQT-JSCPRHNGSA-N 1 1 545.308 6.290 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233191 562818475 /nfs/dbraw/zinc/81/84/75/562818475.db2.gz FIRZNJXYNWMNLA-LGKQTMLJSA-N 1 1 611.658 8.569 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233995 562818506 /nfs/dbraw/zinc/81/85/06/562818506.db2.gz WWGGKYRBPACAIT-GRJQRVBMSA-N 1 1 546.759 7.167 1 0 KKAFMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)N[C@H]1C(=O)N(C2CCCCC2)[C@H]1/C=C/c1ccccc1 ZINC000103236294 562818851 /nfs/dbraw/zinc/81/88/51/562818851.db2.gz LNYOAPXNFVQGNM-WSNFTHLSSA-N 1 1 532.088 5.615 1 0 KKAFMO Cc1ccc(N2C(=O)[C@H](NC(=O)NCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000103236307 562818886 /nfs/dbraw/zinc/81/88/86/562818886.db2.gz UVHWGGZBHILPHV-HRGXINORSA-N 1 1 582.148 6.966 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1 ZINC000103251931 562820407 /nfs/dbraw/zinc/82/04/07/562820407.db2.gz IVDBOZXZGIOCCA-UHFFFAOYSA-N 1 1 503.595 5.951 1 0 KKAFMO COc1ccc2[nH]cc(CCCN3CC[NH+](CCCc4c[nH]c5ccc(Br)cc45)CC3)c2c1 ZINC000103253716 562820586 /nfs/dbraw/zinc/82/05/86/562820586.db2.gz HHLNSVYJOCGXBV-UHFFFAOYSA-N 1 1 509.492 5.603 1 0 KKAFMO CCC[N@@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000103257512 562820913 /nfs/dbraw/zinc/82/09/13/562820913.db2.gz JPLQAIOVMZDOCZ-UHFFFAOYSA-N 1 1 540.729 6.741 1 0 KKAFMO Cc1nc2cccnc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000103259448 562821103 /nfs/dbraw/zinc/82/11/03/562821103.db2.gz TXQHATBHMPRSQO-QBHLCAJUSA-N 1 1 563.702 5.672 1 0 KKAFMO CC(C)(C)CC[N@H+]1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000103261481 562821358 /nfs/dbraw/zinc/82/13/58/562821358.db2.gz RPZBTBIEZRHXHF-HHHXNRCGSA-N 1 1 518.624 5.099 1 0 KKAFMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265819 562822145 /nfs/dbraw/zinc/82/21/45/562822145.db2.gz GXBMWHKCFNSYRH-ZRZAMGCNSA-N 1 1 605.661 7.264 1 0 KKAFMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103265819 562822146 /nfs/dbraw/zinc/82/21/46/562822146.db2.gz GXBMWHKCFNSYRH-ZRZAMGCNSA-N 1 1 605.661 7.264 1 0 KKAFMO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@H+](C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1 ZINC000103266237 562822276 /nfs/dbraw/zinc/82/22/76/562822276.db2.gz JVDPAJJJSDTVEH-XLIONFOSSA-N 1 1 607.081 5.225 1 0 KKAFMO Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CC[NH+](C)CC4)ccc3c21 ZINC000113170851 562826329 /nfs/dbraw/zinc/82/63/29/562826329.db2.gz DAPZQYDGISEPRJ-UHFFFAOYSA-N 1 1 601.751 6.333 1 0 KKAFMO CO[C@H]1CC[N@@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037378 562827126 /nfs/dbraw/zinc/82/71/26/562827126.db2.gz UCTVEWRBYCEHHU-HRTMPFAESA-N 1 1 554.518 6.951 1 0 KKAFMO CO[C@H]1CC[N@H+](C2CCC(Nc3c(C(=O)C4CC4)c[nH+]c4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)C1 ZINC000114037378 562827127 /nfs/dbraw/zinc/82/71/27/562827127.db2.gz UCTVEWRBYCEHHU-HRTMPFAESA-N 1 1 554.518 6.951 1 0 KKAFMO C[NH+](C)CCN1CCC(Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000114038029 562827289 /nfs/dbraw/zinc/82/72/89/562827289.db2.gz VGVPCQQEFRJMRG-UHFFFAOYSA-N 1 1 527.496 5.945 1 0 KKAFMO CCCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC000114039185 562827412 /nfs/dbraw/zinc/82/74/12/562827412.db2.gz ZQVPBPZIPGSCOP-UHFFFAOYSA-N 1 1 520.008 5.931 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000114097624 562827587 /nfs/dbraw/zinc/82/75/87/562827587.db2.gz QOENLXNDSPOHSK-OAQYLSRUSA-N 1 1 525.011 6.027 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000114100318 562827708 /nfs/dbraw/zinc/82/77/08/562827708.db2.gz YPCHAJDITZHKOA-AREMUKBSSA-N 1 1 524.149 5.944 1 0 KKAFMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114099875 562827717 /nfs/dbraw/zinc/82/77/17/562827717.db2.gz JAIDXTUIPAUCID-JOCHJYFZSA-N 1 1 519.057 5.546 1 0 KKAFMO CC1(C)c2[nH]nc(NC(=O)c3cccc(Oc4ccccc4)c3)c2CN1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000114181237 562827826 /nfs/dbraw/zinc/82/78/26/562827826.db2.gz QFLJEWDUPUCDJK-SVBPBHIXSA-N 1 1 590.728 6.016 1 0 KKAFMO O=S(=O)(NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114603147 562828372 /nfs/dbraw/zinc/82/83/72/562828372.db2.gz JJLIADRRWNTBBL-UHFFFAOYSA-N 1 1 521.133 5.045 1 0 KKAFMO C[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\scc(C(C)(C)C)n1C[C@H]1CCCO1 ZINC000118248392 562830202 /nfs/dbraw/zinc/83/02/02/562830202.db2.gz RUXHCOHDFPTLQT-QWIPUYGYSA-N 1 1 525.637 5.259 1 0 KKAFMO Cc1ccc(NC(=O)C[C@H](C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCC[NH+]4CCN(C)CC4)cc3)ncc2C1 ZINC000118604872 562830433 /nfs/dbraw/zinc/83/04/33/562830433.db2.gz UZICUOYVCKOCLZ-QHCPKHFHSA-N 1 1 611.713 5.245 1 0 KKAFMO CNC(=O)[C@H]1CCC[N@H+]1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118792267 562830608 /nfs/dbraw/zinc/83/06/08/562830608.db2.gz OBJVMDJHVUAQEF-IWNCIYCBSA-N 1 1 576.137 6.086 1 0 KKAFMO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136233 562831755 /nfs/dbraw/zinc/83/17/55/562831755.db2.gz GDUDKPKEAIDYRX-XMMPIXPASA-N 1 1 523.958 5.537 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@](CC[N@H+]3CC[C@@H]4c5ccccc5C[C@@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000138512215 562831963 /nfs/dbraw/zinc/83/19/63/562831963.db2.gz UZTAOZVXKCECDZ-RYKAKMPNSA-N 1 1 611.566 6.191 1 0 KKAFMO CCOC(=O)c1cc2c(-c3ccc(C[NH+]4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)nc3ccccc3n2c1 ZINC000138587310 562832068 /nfs/dbraw/zinc/83/20/68/562832068.db2.gz NTXWGNIJHGIYNA-UHFFFAOYSA-N 1 1 547.634 6.726 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)c(C)n2n1 ZINC000143027711 562834504 /nfs/dbraw/zinc/83/45/04/562834504.db2.gz YBOIHMJITDDGEX-UHFFFAOYSA-N 1 1 527.636 5.163 1 0 KKAFMO CC[N@H+]1CCC[C@H]1CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000143340121 562834941 /nfs/dbraw/zinc/83/49/41/562834941.db2.gz XMZZJVAMXAIKCD-ZETCQYMHSA-N 1 1 559.926 5.509 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc([C@@H]3CCC[N@@H+]3C)cc2)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 ZINC000144288551 562836033 /nfs/dbraw/zinc/83/60/33/562836033.db2.gz LGSGFTMLNOAYCK-LJAQVGFWSA-N 1 1 504.634 6.578 1 0 KKAFMO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(O[C@H]6CCOc7ccccc76)ccn5)n4)ccc3[nH]2)CC1 ZINC000144287531 562836061 /nfs/dbraw/zinc/83/60/61/562836061.db2.gz ZTGCMZLZERITCF-PMERELPUSA-N 1 1 561.646 5.054 1 0 KKAFMO CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc(F)c(-c4ccc5cc(NC(=O)C6CC6)ncc5c4)c3)cc2)CC1 ZINC000144330703 562836125 /nfs/dbraw/zinc/83/61/25/562836125.db2.gz JEIXPJRASSVARG-UHFFFAOYSA-N 1 1 537.639 5.389 1 0 KKAFMO c1nc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)sc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000145538379 562837346 /nfs/dbraw/zinc/83/73/46/562837346.db2.gz OIXUNWKWSUQAGU-AREMUKBSSA-N 1 1 514.651 5.523 1 0 KKAFMO CCCCCCSC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C[C@@H]1CC ZINC000145715938 562837512 /nfs/dbraw/zinc/83/75/12/562837512.db2.gz KEPZPPNKHFGZPX-HVLAULJQSA-N 1 1 640.956 8.254 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000146433621 562838577 /nfs/dbraw/zinc/83/85/77/562838577.db2.gz BHKDMCGCJODKJK-MLBCHFTJSA-N 1 1 570.265 5.184 1 0 KKAFMO O=C(Nc1ccc2[nH]nc(-c3ccc(N4CCC(O)CC4)cc3)c2c1)[C@H](c1ccsc1)[NH+]1CCCC1 ZINC000146836881 562838859 /nfs/dbraw/zinc/83/88/59/562838859.db2.gz JVZJRUAQICXOEP-MHZLTWQESA-N 1 1 501.656 5.028 1 0 KKAFMO C[N@@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821217 562839718 /nfs/dbraw/zinc/83/97/18/562839718.db2.gz DZEQBPTXICASFA-WMZOPIPTSA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@H+]1C[C@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821217 562839719 /nfs/dbraw/zinc/83/97/19/562839719.db2.gz DZEQBPTXICASFA-WMZOPIPTSA-N 1 1 517.605 5.411 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C(C)C)nn1 ZINC000147876521 562839732 /nfs/dbraw/zinc/83/97/32/562839732.db2.gz NRDAGRURPLJETJ-KMRXNPHXSA-N 1 1 577.648 6.485 1 0 KKAFMO C[N@@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821005 562839747 /nfs/dbraw/zinc/83/97/47/562839747.db2.gz DZEQBPTXICASFA-AEFFLSMTSA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@H+]1C[C@@H](Cc2c(F)cccc2F)C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C1 ZINC000147821005 562839748 /nfs/dbraw/zinc/83/97/48/562839748.db2.gz DZEQBPTXICASFA-AEFFLSMTSA-N 1 1 517.605 5.411 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CC[NH+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148077222 562840120 /nfs/dbraw/zinc/84/01/20/562840120.db2.gz GTBORCHSJHZCAS-UHFFFAOYSA-N 1 1 606.531 5.214 1 0 KKAFMO Cc1ccc(C(=O)Nc2cc(N3CCC[N@H+](C)CC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148307176 562840966 /nfs/dbraw/zinc/84/09/66/562840966.db2.gz QLMICPNJOSHYGU-QFIPXVFZSA-N 1 1 623.659 5.433 1 0 KKAFMO Cc1ccc(C(=O)Nc2cc(N3CC[NH+](C)CC3)c(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CC[C@H](F)C3)nc21 ZINC000148330535 562841055 /nfs/dbraw/zinc/84/10/55/562841055.db2.gz NXFSACQYEMBDCN-IBGZPJMESA-N 1 1 627.622 5.182 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CC[N@H+]6CCCC[C@@H]6C5)nc43)c2)cc1C(F)(F)F ZINC000148349259 562841130 /nfs/dbraw/zinc/84/11/30/562841130.db2.gz NAWXPTJARHSCBL-OAQYLSRUSA-N 1 1 592.626 5.426 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000148604760 562841512 /nfs/dbraw/zinc/84/15/12/562841512.db2.gz OBQBEDFGLFICRM-QHCPKHFHSA-N 1 1 500.083 5.074 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000148832436 562841861 /nfs/dbraw/zinc/84/18/61/562841861.db2.gz GMSJFDPNVXVEPB-DEOSSOPVSA-N 1 1 510.078 5.879 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000148872748 562841901 /nfs/dbraw/zinc/84/19/01/562841901.db2.gz MNZUQWHEVHRCQC-SANMLTNESA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000148872748 562841902 /nfs/dbraw/zinc/84/19/02/562841902.db2.gz MNZUQWHEVHRCQC-SANMLTNESA-N 1 1 510.078 5.422 1 0 KKAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000148841168 562841920 /nfs/dbraw/zinc/84/19/20/562841920.db2.gz PUIKAJJTQJBRGR-HHHXNRCGSA-N 1 1 550.663 5.614 1 0 KKAFMO C[N@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000148841168 562841921 /nfs/dbraw/zinc/84/19/21/562841921.db2.gz PUIKAJJTQJBRGR-HHHXNRCGSA-N 1 1 550.663 5.614 1 0 KKAFMO COc1cc2ncnc(Nc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)c2cc1OCCC[NH+]1CCOCC1 ZINC000150522857 562843568 /nfs/dbraw/zinc/84/35/68/562843568.db2.gz QJVCNHYCOKNFLA-UHFFFAOYSA-N 1 1 631.055 6.799 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Br)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538930 562844083 /nfs/dbraw/zinc/84/40/83/562844083.db2.gz DGOMTRBHBFEUNG-UHFFFAOYSA-N 1 1 859.335 7.578 1 0 KKAFMO COc1ccc(C(OC(=O)[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150549817 562844553 /nfs/dbraw/zinc/84/45/53/562844553.db2.gz NTQAMCUPIBQLDW-GEPJLXJFSA-N 1 1 701.857 7.626 1 0 KKAFMO 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)cc2F)CC1 ZINC000150556212 562844749 /nfs/dbraw/zinc/84/47/49/562844749.db2.gz NQKJHRLGLXNOLL-JZTDQRQXSA-N 1 1 643.829 6.000 1 0 KKAFMO COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[N@@H+](/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000150585952 562845811 /nfs/dbraw/zinc/84/58/11/562845811.db2.gz JFOQWEPKCYRMCA-NVSLPIAASA-N 1 1 720.951 10.150 1 0 KKAFMO COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)[N@H+](/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000150585952 562845812 /nfs/dbraw/zinc/84/58/12/562845812.db2.gz JFOQWEPKCYRMCA-NVSLPIAASA-N 1 1 720.951 10.150 1 0 KKAFMO CN(C)[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](c5ccccc5)[NH+](C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150598515 562846884 /nfs/dbraw/zinc/84/68/84/562846884.db2.gz IUKDDNWJLHYBGC-IWWWZYECSA-N 1 1 746.960 8.067 1 0 KKAFMO C[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606242 562847880 /nfs/dbraw/zinc/84/78/80/562847880.db2.gz JCRAXGYBNYHQTK-HKFHRXRESA-N 1 1 664.892 5.428 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@]1(c2ccccc2)CC[C@H](NC(=O)c2c(C)ccc(S(N)(=O)=O)c2C)CC1 ZINC000150619244 562848850 /nfs/dbraw/zinc/84/88/50/562848850.db2.gz ZIMSQZUTUQQLNQ-CLEHTCQTSA-N 1 1 653.893 6.478 1 0 KKAFMO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC2CCC(OC(=O)C(C)(C)N)CC2)[C@H](c2cccc(Cl)c2F)[C@]12c1ccc(Cl)cc1NC2=O ZINC000164795288 562849739 /nfs/dbraw/zinc/84/97/39/562849739.db2.gz CCBWZZYXLQJFDQ-HQDKQNMLSA-N 1 1 647.619 5.591 1 0 KKAFMO Cc1cccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1 ZINC000167131111 562850672 /nfs/dbraw/zinc/85/06/72/562850672.db2.gz ZEWLFDZVSRANOH-UHFFFAOYSA-N 1 1 585.691 6.343 1 0 KKAFMO Cc1cccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)CC3)n2)n1 ZINC000167131111 562850673 /nfs/dbraw/zinc/85/06/73/562850673.db2.gz ZEWLFDZVSRANOH-UHFFFAOYSA-N 1 1 585.691 6.343 1 0 KKAFMO Cc1cccc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@H+]4CCCOCC4)c3)CC2)n1 ZINC000168616708 562851480 /nfs/dbraw/zinc/85/14/80/562851480.db2.gz CBTXIBGWNHIYEA-ISILISOKSA-N 1 1 653.755 5.782 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)[N@H+]([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000169291175 562851857 /nfs/dbraw/zinc/85/18/57/562851857.db2.gz RWSZLMVCERHQGM-QLWXXVCSSA-N 1 1 506.646 6.019 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169294860 562852318 /nfs/dbraw/zinc/85/23/18/562852318.db2.gz ZSYUYCGOXXOFOB-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169294860 562852319 /nfs/dbraw/zinc/85/23/19/562852319.db2.gz ZSYUYCGOXXOFOB-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169294860 562852320 /nfs/dbraw/zinc/85/23/20/562852320.db2.gz ZSYUYCGOXXOFOB-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OCCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000169297895 562852625 /nfs/dbraw/zinc/85/26/25/562852625.db2.gz QZZJNRWXLCKHIO-IDQLPAOKSA-N 1 1 711.340 8.017 1 0 KKAFMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2[C@@H]2SC(=O)N(CN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000169298917 562852745 /nfs/dbraw/zinc/85/27/45/562852745.db2.gz RKHLUIULTYXGQL-ZFEZZJPFSA-N 1 1 605.764 5.796 1 0 KKAFMO O=C([C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C[C@@H]1c1ccc(F)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000169306844 562853646 /nfs/dbraw/zinc/85/36/46/562853646.db2.gz YHHSAOLWFULNPC-JHOUSYSJSA-N 1 1 553.121 6.956 1 0 KKAFMO C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310152 562854668 /nfs/dbraw/zinc/85/46/68/562854668.db2.gz UWULGUFSFZJDEY-GQIGMWPISA-N 1 1 580.685 5.231 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000169317791 562856065 /nfs/dbraw/zinc/85/60/65/562856065.db2.gz YWKQKXOEKQEVAI-RCZVLFRGSA-N 1 1 527.505 6.606 1 0 KKAFMO 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 562856971 /nfs/dbraw/zinc/85/69/71/562856971.db2.gz OEMARKIPGSUZKA-DHUJRADRSA-N 1 1 735.319 6.996 1 0 KKAFMO COc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)cc1 ZINC000169323801 562857180 /nfs/dbraw/zinc/85/71/80/562857180.db2.gz PYCASUWVQBLTJY-UHFFFAOYSA-N 1 1 612.138 6.447 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(Nc3ccc(OC)c(OC)c3)n2)CC1 ZINC000169323809 562857195 /nfs/dbraw/zinc/85/71/95/562857195.db2.gz CCRLZYNFEYEJMH-UHFFFAOYSA-N 1 1 612.138 6.463 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C[C@@]2(C)CCC(C)(C)N2O)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000169329753 562858570 /nfs/dbraw/zinc/85/85/70/562858570.db2.gz NRQKOIIFRGQHPK-XDSPJLLDSA-N 1 1 627.867 6.098 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCCOc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000169330002 562858601 /nfs/dbraw/zinc/85/86/01/562858601.db2.gz ITPPJZDFZQRDGF-UHFFFAOYSA-N 1 1 525.734 5.943 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000169335829 562859724 /nfs/dbraw/zinc/85/97/24/562859724.db2.gz MATNFYHKYBREMY-SANMLTNESA-N 1 1 536.516 6.654 1 0 KKAFMO CCOC(=O)/C=C\C(=O)Nc1ccccc1CCC[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000169346322 562861761 /nfs/dbraw/zinc/86/17/61/562861761.db2.gz UHHMKYFIVVBCLB-UBXJQQJUSA-N 1 1 502.655 5.141 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c(=O)cc2C)cc1F ZINC000169350406 562862789 /nfs/dbraw/zinc/86/27/89/562862789.db2.gz LWLZJKLPPDVLAK-UHFFFAOYSA-N 1 1 687.172 5.951 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(=O)cc2C)cc1F ZINC000169350407 562862800 /nfs/dbraw/zinc/86/28/00/562862800.db2.gz XKYWSOCHHVKGID-UHFFFAOYSA-N 1 1 688.707 5.576 1 0 KKAFMO COc1ccc(-c2nc3ccc(-c4nc5cc(N6CCN(c7cc[nH+]cc7)CC6)ccc5[nH]4)cc3[nH]2)cc1OC ZINC000169352833 562863268 /nfs/dbraw/zinc/86/32/68/562863268.db2.gz ATVJCVBIWJSLCQ-UHFFFAOYSA-N 1 1 531.620 5.512 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2ccncc2)n1 ZINC000169701651 562868115 /nfs/dbraw/zinc/86/81/15/562868115.db2.gz GMYQHOQOEQWZGN-GDLZYMKVSA-N 1 1 519.653 5.078 1 0 KKAFMO CN1CCN(c2ccc(C[NH+]3CCC4(CC3)O[C@H](c3cc(Cl)cc(Cl)c3)c3ccccc34)nc2)CC1 ZINC000169703938 562868924 /nfs/dbraw/zinc/86/89/24/562868924.db2.gz PLWTZHJSHDGCFT-MUUNZHRXSA-N 1 1 523.508 5.751 1 0 KKAFMO COc1cc(Nc2ncnc3ccc(-c4ccc(C[N@H+]5C[C@H]6[C@H](CO)[C@H]6C5)cc4)cc32)ccc1Oc1ccccc1 ZINC000169741983 562871421 /nfs/dbraw/zinc/87/14/21/562871421.db2.gz WZZXMNBOPNKKSX-BKHFGAQXSA-N 1 1 544.655 6.511 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000197885231 562872610 /nfs/dbraw/zinc/87/26/10/562872610.db2.gz JTWIYPFIIKKSIS-XXIOWLSESA-N 1 1 645.491 6.526 1 0 KKAFMO CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000201531433 562873519 /nfs/dbraw/zinc/87/35/19/562873519.db2.gz SZUYKWJBTMCMES-GOSISDBHSA-N 1 1 520.008 6.059 1 0 KKAFMO Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(C[NH+]4CCOCC4)cc3)cc(N(CC(F)(F)F)C3CCOCC3)c2C)c(=O)[nH]1 ZINC000205713821 562875724 /nfs/dbraw/zinc/87/57/24/562875724.db2.gz UTBDDCBLOPZHGD-UHFFFAOYSA-N 1 1 626.720 5.277 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206749716 562876522 /nfs/dbraw/zinc/87/65/22/562876522.db2.gz ZWDQXLOKJSQLSH-UHFFFAOYSA-N 1 1 564.082 7.262 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000206719157 562876532 /nfs/dbraw/zinc/87/65/32/562876532.db2.gz LKQLYASAXRFPFM-AREMUKBSSA-N 1 1 585.745 7.953 1 0 KKAFMO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222894480 562879943 /nfs/dbraw/zinc/87/99/43/562879943.db2.gz LRHWVHHPVYFCIX-HHHXNRCGSA-N 1 1 592.666 6.093 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4cc(Br)c(C)cc34)cc2)c1C ZINC000299826606 562883923 /nfs/dbraw/zinc/88/39/23/562883923.db2.gz DRMWSFRPKMHIEH-UHFFFAOYSA-N 1 1 619.564 5.215 1 0 KKAFMO CC(C)[NH2+][C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000299838293 562887753 /nfs/dbraw/zinc/88/77/53/562887753.db2.gz ULXXLCZMVVOIBI-HHHXNRCGSA-N 1 1 609.123 7.089 1 0 KKAFMO COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c2C(F)(F)F)cc1 ZINC000299838999 562888041 /nfs/dbraw/zinc/88/80/41/562888041.db2.gz WUTYCVPPFZPUPA-UHFFFAOYSA-N 1 1 696.658 6.136 1 0 KKAFMO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299856467 562891956 /nfs/dbraw/zinc/89/19/56/562891956.db2.gz IUGDEVWVTVOUSA-UHFFFAOYSA-N 1 1 543.042 5.972 1 0 KKAFMO CC(C)C[NH2+]Cc1c(C(=O)[O-])sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)c12 ZINC000299856654 562891968 /nfs/dbraw/zinc/89/19/68/562891968.db2.gz DBAWVRYWKTVMEZ-SANMLTNESA-N 1 1 592.850 6.802 1 0 KKAFMO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299858114 562892389 /nfs/dbraw/zinc/89/23/89/562892389.db2.gz QOFOCQZPAZVZIS-UHFFFAOYSA-N 1 1 508.597 5.318 1 0 KKAFMO O=c1c(-c2ccc(F)cc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299859472 562892739 /nfs/dbraw/zinc/89/27/39/562892739.db2.gz XTXUFBVLODXHFH-UHFFFAOYSA-N 1 1 526.587 5.457 1 0 KKAFMO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Br)cc23)CC1 ZINC000299859637 562892788 /nfs/dbraw/zinc/89/27/88/562892788.db2.gz YAXAFMUKBXAQTO-UHFFFAOYSA-N 1 1 569.503 5.942 1 0 KKAFMO Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CC[N@H+](CCc3ccccc3C(F)(F)F)C[C@@H]1O2 ZINC000299860417 562892942 /nfs/dbraw/zinc/89/29/42/562892942.db2.gz JGYRRQGTAWMJLO-KYJUHHDHSA-N 1 1 509.612 7.161 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2c(C=O)c(C)cc(Cl)c2O1 ZINC000473085476 562896937 /nfs/dbraw/zinc/89/69/37/562896937.db2.gz WSNOTOOAAHPYDR-MHZLTWQESA-N 1 1 604.494 6.179 1 0 KKAFMO Cc1ccc(-c2nc3ncccn3c2CN2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ncccn34)CC2)cc1 ZINC000473090035 562897458 /nfs/dbraw/zinc/89/74/58/562897458.db2.gz UJLMWGDLSHCKEJ-UHFFFAOYSA-N 1 1 528.664 5.041 1 0 KKAFMO O[C@@H](CCn1cc(-c2ccc(-c3ccccc3)cc2)nn1)C[NH+]1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000473105292 562898182 /nfs/dbraw/zinc/89/81/82/562898182.db2.gz RRBRCSSGXLKDPR-DEOSSOPVSA-N 1 1 522.480 5.492 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5cccc(C(F)(F)F)c5)cc4o3)cc2)CC1 ZINC000473107677 562898367 /nfs/dbraw/zinc/89/83/67/562898367.db2.gz JTUHUBKSBIDGFR-UHFFFAOYSA-N 1 1 597.634 7.628 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(C(C)(C)C)cc5)cc4o3)cc2)C1 ZINC000473108242 562898385 /nfs/dbraw/zinc/89/83/85/562898385.db2.gz LKQLYASAXRFPFM-SANMLTNESA-N 1 1 585.745 7.953 1 0 KKAFMO COc1cc2oc(-c3ccc(OCCCC[N@@H+](C)Cc4ccccc4)cc3)cc(=O)c2c(OC)c1OC ZINC000473114666 562898929 /nfs/dbraw/zinc/89/89/29/562898929.db2.gz OJHNAGYEVNHLIC-UHFFFAOYSA-N 1 1 503.595 5.777 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc1)CC2 ZINC000473135983 562900920 /nfs/dbraw/zinc/90/09/20/562900920.db2.gz MHQPOEYODAZTSH-UHFFFAOYSA-N 1 1 589.689 5.497 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc1)CC2 ZINC000473135983 562900921 /nfs/dbraw/zinc/90/09/21/562900921.db2.gz MHQPOEYODAZTSH-UHFFFAOYSA-N 1 1 589.689 5.497 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136636 562901088 /nfs/dbraw/zinc/90/10/88/562901088.db2.gz TWRGSFQMYKPGBO-KQYNGZBLSA-N 1 1 536.701 6.780 1 0 KKAFMO C[N@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159098 562902688 /nfs/dbraw/zinc/90/26/88/562902688.db2.gz GFSJRZDPTMGMKE-CYWCHRQTSA-N 1 1 526.052 5.309 1 0 KKAFMO C[N@@H+](CCO)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159098 562902689 /nfs/dbraw/zinc/90/26/89/562902689.db2.gz GFSJRZDPTMGMKE-CYWCHRQTSA-N 1 1 526.052 5.309 1 0 KKAFMO COCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C(C)C)nn1 ZINC000473165352 562902939 /nfs/dbraw/zinc/90/29/39/562902939.db2.gz BFNJAXKMPJHXHW-HRFSGMKKSA-N 1 1 579.620 5.331 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CC[C@H](C[N@H+]5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179743 562903470 /nfs/dbraw/zinc/90/34/70/562903470.db2.gz RWQUGWZUVFWOSC-UEVCKROQSA-N 1 1 538.088 5.321 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000473198577 562903736 /nfs/dbraw/zinc/90/37/36/562903736.db2.gz PRXOLTBHQZKAOZ-MPCDZSKCSA-N 1 1 543.495 5.361 1 0 KKAFMO O=C([O-])CC[N@H+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215474 562904031 /nfs/dbraw/zinc/90/40/31/562904031.db2.gz ONYFDBVBBAZJTM-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO O=C([O-])CC[NH+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215474 562904032 /nfs/dbraw/zinc/90/40/32/562904032.db2.gz ONYFDBVBBAZJTM-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO O=C([O-])CC[NH+]1CC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215474 562904033 /nfs/dbraw/zinc/90/40/33/562904033.db2.gz ONYFDBVBBAZJTM-JBFJIUAJSA-N 1 1 518.746 6.217 1 0 KKAFMO CCCCCCNC(=O)Nc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474605844 562905307 /nfs/dbraw/zinc/90/53/07/562905307.db2.gz GMIFAPRMVIERMY-PMERELPUSA-N 1 1 572.750 5.864 1 0 KKAFMO CCCCCCNC(=O)Nc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474605844 562905308 /nfs/dbraw/zinc/90/53/08/562905308.db2.gz GMIFAPRMVIERMY-PMERELPUSA-N 1 1 572.750 5.864 1 0 KKAFMO CCc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474605979 562905365 /nfs/dbraw/zinc/90/53/65/562905365.db2.gz GVZZRHUNVMFTRT-UHFFFAOYSA-N 1 1 598.607 5.399 1 0 KKAFMO O=S(=O)(c1ccc(C2=C[C@@H]3N=CNC(=[NH+]c4ccc(OCc5ccccc5)c(Cl)c4)[C@H]3S2)cc1)N1CCOCC1 ZINC000474609776 562905722 /nfs/dbraw/zinc/90/57/22/562905722.db2.gz UXEZNMPSFXNTRD-LSYYVWMOSA-N 1 1 595.146 5.317 1 0 KKAFMO Fc1cccc(COc2ccc([NH+]=C3NC=N[C@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@@H]34)cc2Cl)c1 ZINC000474609922 562905781 /nfs/dbraw/zinc/90/57/81/562905781.db2.gz XISMJZPTIYZMMN-LBNVMWSVSA-N 1 1 549.071 6.272 1 0 KKAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653672849 562906186 /nfs/dbraw/zinc/90/61/86/562906186.db2.gz CVOZKXRUCRBXSM-UHFFFAOYSA-N 1 1 563.485 6.613 1 0 KKAFMO Cc1nc(CN2CC[NH+](Cc3cc4c5ccccc5n(C)c4c(C)n3)CC2)cc2c3ccccc3n(C)c21 ZINC000653713255 562908306 /nfs/dbraw/zinc/90/83/06/562908306.db2.gz OBGGVDLJDSNXKL-UHFFFAOYSA-N 1 1 502.666 5.701 1 0 KKAFMO Cc1nc(CN2CC[NH+](Cc3cc4c5ccccc5n(Cc5cccc(Cl)c5)c4c(C)n3)CC2)cc2c3ccccc3n(Cc3cccc(Cl)c3)c21 ZINC000653714835 562908459 /nfs/dbraw/zinc/90/84/59/562908459.db2.gz VJXQTXZNBIQSAK-UHFFFAOYSA-N 1 1 723.752 10.030 1 0 KKAFMO CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000653746724 562910477 /nfs/dbraw/zinc/91/04/77/562910477.db2.gz WMWLRAABQJZEOC-UHFFFAOYSA-N 1 1 631.195 10.431 1 0 KKAFMO Cc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(-c5cnc(N6CC[NH+](CCO)CC6)nc5)c4)nc(C)n3)cc12 ZINC000653752987 562910775 /nfs/dbraw/zinc/91/07/75/562910775.db2.gz WYYBYSVOBVEOFX-QFIPXVFZSA-N 1 1 549.679 5.251 1 0 KKAFMO Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653757363 562911050 /nfs/dbraw/zinc/91/10/50/562911050.db2.gz JEHRFGQQIBNZNA-UHFFFAOYSA-N 1 1 563.485 6.613 1 0 KKAFMO COc1ccc(-c2cc3cc(OCCC[N@@H+](C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)ccc3oc2=O)cc1 ZINC000653830185 562914528 /nfs/dbraw/zinc/91/45/28/562914528.db2.gz AKOGQQINMRSZAR-UHFFFAOYSA-N 1 1 634.773 7.871 1 0 KKAFMO C[N@@H+](CCCOc1ccc2c(c1)oc(=O)c1c2CCCC1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653835467 562914687 /nfs/dbraw/zinc/91/46/87/562914687.db2.gz SORZLAJXYYGEIQ-UHFFFAOYSA-N 1 1 582.741 7.074 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccc(F)c(F)c3)nn2)cc1F ZINC000653857502 562915766 /nfs/dbraw/zinc/91/57/66/562915766.db2.gz LNUOFCQRQMKCCN-UHFFFAOYSA-N 1 1 647.658 5.302 1 0 KKAFMO O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 562916668 /nfs/dbraw/zinc/91/66/68/562916668.db2.gz JNUVUGYDMFARQU-QTXKDHNRSA-N 1 1 523.615 5.519 1 0 KKAFMO COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[N@H+]4C)cc3)c1)N(C)CC2 ZINC000044351713 565112462 /nfs/dbraw/zinc/11/24/62/565112462.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 1 1 610.751 6.459 1 0 biogenic,in-vivo KKAFMO COc1cc2c(cc1O)[C@@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc(O)c(OC)cc5CC[N@@H+]4C)cc3)c1)N(C)CC2 ZINC000044351713 565112468 /nfs/dbraw/zinc/11/24/68/565112468.db2.gz ZKGBUDJODLZAHS-IOWSJCHKSA-N 1 1 610.751 6.459 1 0 biogenic,in-vivo KKAFMO COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(OC36[NH2+]C7(C)C=C[C@H]3CCC[C@H]6C=C7)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567452 565142393 /nfs/dbraw/zinc/14/23/93/565142393.db2.gz HQEMTJOSXHMOEZ-ZIACQNDDSA-N 1 1 666.771 5.789 1 0 biogenic,in-vitro KKAFMO COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CC[N@@H+]5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648347 565169484 /nfs/dbraw/zinc/16/94/84/565169484.db2.gz RZBRPBCSMGQTOK-PCCSJGSPSA-N 1 1 637.817 8.073 1 0 biogenic,in-vitro KKAFMO Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3N(CC[NH+]4CCCCC4)[C@@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150343201 571458934 /nfs/dbraw/zinc/45/89/34/571458934.db2.gz HPULNMZDQGVCAS-PXLJZGITSA-N 1 1 642.847 6.207 2 0 KKAFMO CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947308 581091661 /nfs/dbraw/zinc/09/16/61/581091661.db2.gz HLRVNJVVXBHFTE-LOSJGSFVSA-N 1 1 565.205 9.396 1 0 in-vivo KKAFMO CCCCC[C@@H](C[C@@H](CCc1cc(Cc2cc[nH+]c(N)c2)c(O)c(OC2CCCC2)c1)OC(C)=O)OC(C)=O ZINC000085629521 291928631 /nfs/dbraw/zinc/92/86/31/291928631.db2.gz XITDFWSYAMMRLY-WUFINQPMSA-N 1 1 540.701 6.048 1 0 biogenic,in-vitro KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3cc4ccccc4nc3C(C)C)cc2)cc1OC ZINC000003922477 561685910 /nfs/dbraw/zinc/68/59/10/561685910.db2.gz BMVATFZXMWUVSA-UHFFFAOYSA-N 1 1 562.732 6.152 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@@H+](C)CCCCc2ccncc2)c1 ZINC000002008979 561680487 /nfs/dbraw/zinc/68/04/87/561680487.db2.gz MBFGBJUIRFPOCP-UHFFFAOYSA-N 1 1 576.829 7.775 1 0 KKAFMO CC[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000003946685 561689993 /nfs/dbraw/zinc/68/99/93/561689993.db2.gz FRGKOLSKMIBPHY-LJAQVGFWSA-N 1 1 556.769 6.081 1 0 KKAFMO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+]([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000003950886 561690500 /nfs/dbraw/zinc/69/05/00/561690500.db2.gz IVAGVKBJNJSFFA-NLFFAJNJSA-N 1 1 525.878 5.109 1 0 KKAFMO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+]([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000003950886 561690501 /nfs/dbraw/zinc/69/05/01/561690501.db2.gz IVAGVKBJNJSFFA-NLFFAJNJSA-N 1 1 525.878 5.109 1 0 KKAFMO O=S(=O)(c1ccccc1)N1CCC2(CCC[N@@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000003955769 561690924 /nfs/dbraw/zinc/69/09/24/561690924.db2.gz RMBKGJHJADFMNO-UHFFFAOYSA-N 1 1 520.539 5.791 1 0 KKAFMO O=S(=O)(c1ccccc1)N1CCC2(CCC[N@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000003955769 561690925 /nfs/dbraw/zinc/69/09/25/561690925.db2.gz RMBKGJHJADFMNO-UHFFFAOYSA-N 1 1 520.539 5.791 1 0 KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[N@H+]5CC[C@@H](O)C5)cc3F)CC4)cc12 ZINC000003979347 561692240 /nfs/dbraw/zinc/69/22/40/561692240.db2.gz BABFXZTUINNAIF-HXUWFJFHSA-N 1 1 606.580 5.190 1 0 KKAFMO CC[N@H+]1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823029 561698758 /nfs/dbraw/zinc/69/87/58/561698758.db2.gz HKSABFMJANGSMM-TWJUONSBSA-N 1 1 521.657 7.300 1 0 KKAFMO COc1cccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)c1 ZINC000013451533 561713478 /nfs/dbraw/zinc/71/34/78/561713478.db2.gz YHDPFSHCPVWHIB-UHFFFAOYSA-N 1 1 520.695 5.848 1 0 KKAFMO Clc1ccc([C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690095 561707705 /nfs/dbraw/zinc/70/77/05/561707705.db2.gz BRNGMYIYCLGEIK-HKFIEYPESA-N 1 1 554.137 8.486 3 0 KKAFMO CC(=O)Nc1ccc(C(=O)N2CCC(Oc3cccc(C[N@H+](C)Cc4cccc5ccccc54)c3)CC2)cc1 ZINC000011787104 561709944 /nfs/dbraw/zinc/70/99/44/561709944.db2.gz KUQXTLZPJNSFOB-UHFFFAOYSA-N 1 1 521.661 6.114 1 0 KKAFMO Cn1cc(C2=C(c3cn([C@H]4CC[N@@H+](Cc5ccccc5)C4)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000013489987 561716127 /nfs/dbraw/zinc/71/61/27/561716127.db2.gz XHECFEYKUWOZIT-QFIPXVFZSA-N 1 1 500.602 5.147 1 0 KKAFMO COc1ccc(C(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccc(OC)c3ccccc32)c2ccccc12 ZINC000013734010 561725527 /nfs/dbraw/zinc/72/55/27/561725527.db2.gz WJSFCSSZMOGVJK-PSWAGMNNSA-N 1 1 524.705 6.911 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781685 561729489 /nfs/dbraw/zinc/72/94/89/561729489.db2.gz AENYUXFGNVUDBE-NDEPHWFRSA-N 1 1 528.759 6.101 1 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812967 561731773 /nfs/dbraw/zinc/73/17/73/561731773.db2.gz KBSMGRBHVBYBIY-ORKTZOGASA-N 1 1 515.663 8.774 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)cs1 ZINC000014945040 561742675 /nfs/dbraw/zinc/74/26/75/561742675.db2.gz GSPYOWLUBSMHCV-UHFFFAOYSA-N 1 1 545.690 5.210 1 0 KKAFMO CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000014947311 561744783 /nfs/dbraw/zinc/74/47/83/561744783.db2.gz DBUWWODVSCMGDY-FTJBHMTQSA-N 1 1 579.232 9.786 1 0 in-vivo KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3ccc(-c4ccccc4C[NH+]4CCOCC4)cc3F)cc12 ZINC000014951189 561746035 /nfs/dbraw/zinc/74/60/35/561746035.db2.gz AIKLXWZOESUVBV-UHFFFAOYSA-N 1 1 580.542 5.505 1 0 KKAFMO O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017527411 561755271 /nfs/dbraw/zinc/75/52/71/561755271.db2.gz PTTHOVHGPPERMY-QVWWMRLHSA-N 1 1 554.712 5.669 3 0 KKAFMO O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017527409 561755294 /nfs/dbraw/zinc/75/52/94/561755294.db2.gz CUADRWDCEMJIGI-BHBYDHKZSA-N 1 1 566.620 5.473 3 0 KKAFMO O=C1CC[C@@](CCN2CC([NH+]3CCSCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 ZINC000022927761 561759883 /nfs/dbraw/zinc/75/98/83/561759883.db2.gz HUERSZSCUMQRFY-MHZLTWQESA-N 1 1 518.554 5.177 1 0 KKAFMO CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 561760289 /nfs/dbraw/zinc/76/02/89/561760289.db2.gz AKVBPIBFLBXBAR-CPJSRVTESA-N 1 1 531.667 5.654 1 0 KKAFMO CCC[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 561760291 /nfs/dbraw/zinc/76/02/91/561760291.db2.gz AKVBPIBFLBXBAR-CPJSRVTESA-N 1 1 531.667 5.654 1 0 KKAFMO CCC[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 561760292 /nfs/dbraw/zinc/76/02/92/561760292.db2.gz AKVBPIBFLBXBAR-CPJSRVTESA-N 1 1 531.667 5.654 1 0 KKAFMO O[C@@H](COc1ccnc2cc(C(F)(F)F)ccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022934071 561760484 /nfs/dbraw/zinc/76/04/84/561760484.db2.gz AZZZOUXQECPSMI-RUZDIDTESA-N 1 1 521.583 5.401 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(Cl)c4)C[C@H]23)CC1 ZINC000022935403 561760608 /nfs/dbraw/zinc/76/06/08/561760608.db2.gz FEOULTQKWJHGBV-AVPJRLCVSA-N 1 1 519.492 5.724 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(F)c4)C[C@H]23)CC1 ZINC000022935412 561760725 /nfs/dbraw/zinc/76/07/25/561760725.db2.gz QJCAUKKFSSKTHR-AVPJRLCVSA-N 1 1 503.037 5.210 1 0 KKAFMO Cc1ccc(NC(=O)Nc2nc3nc(NCCC[NH+]4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 ZINC000023357772 561761547 /nfs/dbraw/zinc/76/15/47/561761547.db2.gz CGTDZZXDWFMLEF-UHFFFAOYSA-N 1 1 579.536 6.000 1 0 KKAFMO COc1cc(Br)cc(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c1OC ZINC000026162325 561768714 /nfs/dbraw/zinc/76/87/14/561768714.db2.gz RYXXRKZWJMNUEJ-UHFFFAOYSA-N 1 1 545.305 5.105 1 0 KKAFMO CN(Cc1ccccc1C(F)(F)F)[C@H]1CC[N@@H+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F ZINC000026248814 561773752 /nfs/dbraw/zinc/77/37/52/561773752.db2.gz UFYHSHPKWNIZHL-AHWVRZQESA-N 1 1 514.571 5.244 1 0 KKAFMO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F ZINC000026248814 561773754 /nfs/dbraw/zinc/77/37/54/561773754.db2.gz UFYHSHPKWNIZHL-AHWVRZQESA-N 1 1 514.571 5.244 1 0 KKAFMO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)C[C@@H]1F ZINC000026248814 561773756 /nfs/dbraw/zinc/77/37/56/561773756.db2.gz UFYHSHPKWNIZHL-AHWVRZQESA-N 1 1 514.571 5.244 1 0 KKAFMO COc1ccc([C@@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026268187 561776638 /nfs/dbraw/zinc/77/66/38/561776638.db2.gz QFOQKQPDVPKVEX-WJOKGBTCSA-N 1 1 527.771 7.447 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000026270631 561777131 /nfs/dbraw/zinc/77/71/31/561777131.db2.gz HCVKFRCXTOIGDM-KYJUHHDHSA-N 1 1 636.631 6.157 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026278520 561778775 /nfs/dbraw/zinc/77/87/75/561778775.db2.gz KAOJJKZOAZBHGI-UHFFFAOYSA-N 1 1 666.798 6.504 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026278520 561778776 /nfs/dbraw/zinc/77/87/76/561778776.db2.gz KAOJJKZOAZBHGI-UHFFFAOYSA-N 1 1 666.798 6.504 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CC[C@@H](n2c(=O)[nH]c3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000026288517 561780253 /nfs/dbraw/zinc/78/02/53/561780253.db2.gz FPXIRXAXVYUYRD-XZOQPEGZSA-N 1 1 537.491 5.829 1 0 KKAFMO O[C@@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026576506 561800368 /nfs/dbraw/zinc/80/03/68/561800368.db2.gz CGTJDJAUSDYKFM-WJOKGBTCSA-N 1 1 554.698 5.415 1 0 KKAFMO Cc1cc(F)ccc1Nc1nc2c(OCCC[NH+]3CCOCC3)cccc2c(N(C)c2ccccc2)n1 ZINC000026661615 561810322 /nfs/dbraw/zinc/81/03/22/561810322.db2.gz GBZQSQRLFZGYMR-UHFFFAOYSA-N 1 1 501.606 5.690 1 0 KKAFMO CC(C)N1CCN(CCN2CC[NH+]([C@H]3C[C@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000026662783 561810631 /nfs/dbraw/zinc/81/06/31/561810631.db2.gz MNGBFDADKNTDGN-RSXGOPAZSA-N 1 1 501.502 5.334 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@@H+](C)Cc2cc(C)cc(C)c2)C1 ZINC000026664425 561810868 /nfs/dbraw/zinc/81/08/68/561810868.db2.gz QSSWXHSQMGICOW-KDXMTYKHSA-N 1 1 696.981 7.941 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cc(OCc6ccccc6)ccc5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026730628 561816641 /nfs/dbraw/zinc/81/66/41/561816641.db2.gz KTXWLWWFYDYESF-YBLJPNGSSA-N 1 1 520.629 5.152 1 0 KKAFMO CC(C)C[C@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 ZINC000026834529 561823796 /nfs/dbraw/zinc/82/37/96/561823796.db2.gz WZBLEGUFGOUOBE-PLXHNDKISA-N 1 1 749.953 5.032 1 0 KKAFMO C[N@@H+](CCCCOc1ccc2c(c1)OCO2)CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026839140 561825239 /nfs/dbraw/zinc/82/52/39/561825239.db2.gz HRSZLILMOUCKMN-PMERELPUSA-N 1 1 570.796 6.471 1 0 KKAFMO Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026988068 561832103 /nfs/dbraw/zinc/83/21/03/561832103.db2.gz YZKDSEWVOOJDTJ-YBUJKPIWSA-N 1 1 522.667 5.268 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078237 561834624 /nfs/dbraw/zinc/83/46/24/561834624.db2.gz ROPVYNUGSZRGBD-MZNRBSJDSA-N 1 1 694.902 5.531 1 0 KKAFMO O[C@]12Cc3c4ccccc4[nH]c3[C@H]3Oc4c5c(ccc4OCCCc4ccccc4)C[C@H]1[N@H+](CC1CC1)CC[C@]532 ZINC000027095604 561837956 /nfs/dbraw/zinc/83/79/56/561837956.db2.gz LWPLIGWDKHLNEC-CVLIDWCKSA-N 1 1 532.684 5.879 1 0 KKAFMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000027186540 561842665 /nfs/dbraw/zinc/84/26/65/561842665.db2.gz HMFVPOKPHBIIOI-XCZPVHLTSA-N 1 1 564.570 7.105 1 0 KKAFMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000027207620 561846176 /nfs/dbraw/zinc/84/61/76/561846176.db2.gz UCTGXUBCYYWFLY-NSOVKSMOSA-N 1 1 524.661 5.310 1 0 KKAFMO COc1cc2c(cc1OCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@@H+]1C2 ZINC000027308224 561850036 /nfs/dbraw/zinc/85/00/36/561850036.db2.gz UURUMJFSDRSXIE-KCHLEUMXSA-N 1 1 651.764 5.238 1 0 KKAFMO COc1cc2c(cc1OCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@H+]1C2 ZINC000027308224 561850039 /nfs/dbraw/zinc/85/00/39/561850039.db2.gz UURUMJFSDRSXIE-KCHLEUMXSA-N 1 1 651.764 5.238 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Br)cc(C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000027321685 561852734 /nfs/dbraw/zinc/85/27/34/561852734.db2.gz ILEBQUQFCNCBBT-UHFFFAOYSA-N 1 1 541.275 7.361 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431945 561859498 /nfs/dbraw/zinc/85/94/98/561859498.db2.gz VLRKCLYSNVDLNZ-ONOMSOESSA-N 1 1 572.768 5.052 1 0 KKAFMO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@@H]1[C@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517540 561861279 /nfs/dbraw/zinc/86/12/79/561861279.db2.gz SIRMQLLMKUZYMJ-LOYHVIPDSA-N 1 1 609.699 7.382 1 0 KKAFMO CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519601 561863135 /nfs/dbraw/zinc/86/31/35/561863135.db2.gz AGKOFSMXHVZNDI-LWMSGNAUSA-N 1 1 627.918 6.555 1 0 KKAFMO CSc1nc(CO)c(CO)n1CCCc1ccc(NC(=O)c2ccc(Nc3cc[nH+]c4ccccc34)cc2)cc1 ZINC000027524417 561865724 /nfs/dbraw/zinc/86/57/24/561865724.db2.gz ULPRPMKTARJWEJ-UHFFFAOYSA-N 1 1 553.688 5.767 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547769 561867213 /nfs/dbraw/zinc/86/72/13/561867213.db2.gz AOIKUDXNCODUKV-LJAQVGFWSA-N 1 1 540.655 5.188 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027549308 561867665 /nfs/dbraw/zinc/86/76/65/561867665.db2.gz XQPITIPYGHBCQW-MUUNZHRXSA-N 1 1 553.650 5.174 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552346 561868353 /nfs/dbraw/zinc/86/83/53/561868353.db2.gz RUYAQBZRWRWQHR-GDLZYMKVSA-N 1 1 515.679 6.608 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3cccnc3)cc1)CC2 ZINC000027655228 561877296 /nfs/dbraw/zinc/87/72/96/561877296.db2.gz PPJLCZGIFHSLJC-UHFFFAOYSA-N 1 1 536.632 5.204 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(Cl)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027658008 561878411 /nfs/dbraw/zinc/87/84/11/561878411.db2.gz OXWXCFCCCCDJHA-UHFFFAOYSA-N 1 1 621.137 7.011 1 0 KKAFMO O[C@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1 ZINC000027714823 561880139 /nfs/dbraw/zinc/88/01/39/561880139.db2.gz IAGAQJVXUOJREH-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1 ZINC000027714823 561880141 /nfs/dbraw/zinc/88/01/41/561880141.db2.gz IAGAQJVXUOJREH-HHHXNRCGSA-N 1 1 500.511 6.799 1 0 KKAFMO [NH3+]CCCN(Cc1ccc(OCc2ccc(Br)cc2)cc1)Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000027714478 561880157 /nfs/dbraw/zinc/88/01/57/561880157.db2.gz IWWHEMLMFMYKGP-UHFFFAOYSA-N 1 1 624.417 7.721 1 0 KKAFMO C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027741422 561882671 /nfs/dbraw/zinc/88/26/71/561882671.db2.gz OWGVLIJULMCHQR-OAQYLSRUSA-N 1 1 631.671 5.359 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1OC ZINC000027870880 561888239 /nfs/dbraw/zinc/88/82/39/561888239.db2.gz YAEPOTHOJBBKFU-FTJBHMTQSA-N 1 1 635.827 5.226 1 0 KKAFMO COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1OC ZINC000027870880 561888240 /nfs/dbraw/zinc/88/82/40/561888240.db2.gz YAEPOTHOJBBKFU-FTJBHMTQSA-N 1 1 635.827 5.226 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@H+](CCC2)CC4 ZINC000027892422 561889911 /nfs/dbraw/zinc/88/99/11/561889911.db2.gz RTRLJDNNOCSYFW-DGPALRBDSA-N 1 1 523.674 6.458 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@@H+](CCC2)CC4 ZINC000027892422 561889913 /nfs/dbraw/zinc/88/99/13/561889913.db2.gz RTRLJDNNOCSYFW-DGPALRBDSA-N 1 1 523.674 6.458 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@H+](CCC2)CC4 ZINC000027901548 561890998 /nfs/dbraw/zinc/89/09/98/561890998.db2.gz SSUDTDYRDIAOBM-VEEOACQBSA-N 1 1 537.701 6.848 1 0 KKAFMO CC[C@]12C=C(C(=O)OCCCCCCCCCCCO[N+](=O)[O-])n3c4ccccc4c4c3[C@H]1[N@@H+](CCC2)CC4 ZINC000027901548 561890999 /nfs/dbraw/zinc/89/09/99/561890999.db2.gz SSUDTDYRDIAOBM-VEEOACQBSA-N 1 1 537.701 6.848 1 0 KKAFMO CCCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010415 561896278 /nfs/dbraw/zinc/89/62/78/561896278.db2.gz JDBQXMMPIGKZPM-DELQJEEYSA-N 1 1 582.833 6.812 1 0 KKAFMO CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013481 561896864 /nfs/dbraw/zinc/89/68/64/561896864.db2.gz VSDOQRBIRZGCHV-HROZJBRQSA-N 1 1 616.822 6.568 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028014060 561896980 /nfs/dbraw/zinc/89/69/80/561896980.db2.gz PSOBWSAKQGYGMP-XIFFEERXSA-N 1 1 594.774 6.602 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028015379 561897092 /nfs/dbraw/zinc/89/70/92/561897092.db2.gz HBHXAVXLZKWCKM-GTRCSXEUSA-N 1 1 622.801 6.565 1 0 KKAFMO CCn1ncc(C(C)(C)c2ccccc2)c1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015167 561897164 /nfs/dbraw/zinc/89/71/64/561897164.db2.gz XRWNBFQERAJNQF-JNYUFQCESA-N 1 1 596.860 7.157 1 0 KKAFMO CCn1nc(Cc2ccc(S(C)(=O)=O)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028018741 561897970 /nfs/dbraw/zinc/89/79/70/561897970.db2.gz NDYUTCXPKZFGFW-TUTZNEALSA-N 1 1 624.823 5.041 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086162 561899078 /nfs/dbraw/zinc/89/90/78/561899078.db2.gz XNRDIULNKXSIMU-NGZLLANBSA-N 1 1 632.865 7.205 1 0 KKAFMO CCCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028087201 561899429 /nfs/dbraw/zinc/89/94/29/561899429.db2.gz ZTXBUYCSHALQDM-AUFCLJJTSA-N 1 1 618.838 6.816 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OC5CCC5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087967 561899447 /nfs/dbraw/zinc/89/94/47/561899447.db2.gz ICFBKVPIXDVRSY-YJCNYCIJSA-N 1 1 630.849 6.959 1 0 KKAFMO CCCC[N@@H+](CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1)CCc1ccc(OC)c(OC)c1 ZINC000028091716 561899913 /nfs/dbraw/zinc/89/99/13/561899913.db2.gz QHNUISCZXZMMPD-UHFFFAOYSA-N 1 1 592.802 7.026 1 0 KKAFMO CCn1nc(Cc2ccc(OCc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093214 561900380 /nfs/dbraw/zinc/90/03/80/561900380.db2.gz OHJXUFLNJCDPTF-ARESMVSKSA-N 1 1 666.882 7.606 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H](CCC[N@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028093812 561900404 /nfs/dbraw/zinc/90/04/04/561900404.db2.gz QXBBLTVHGIMTJE-HPACOSHFSA-N 1 1 699.814 8.614 1 0 KKAFMO C[N@H+]1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 ZINC000028094249 561900498 /nfs/dbraw/zinc/90/04/98/561900498.db2.gz JBWTUVNRRIWIJQ-UHFFFAOYSA-N 1 1 607.780 5.688 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028096329 561900953 /nfs/dbraw/zinc/90/09/53/561900953.db2.gz MLKJWAJODRUMOO-RFUUAGDRSA-N 1 1 700.921 6.860 1 0 KKAFMO O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028098043 561901099 /nfs/dbraw/zinc/90/10/99/561901099.db2.gz KUKJOLRCPDCJAJ-UMSFTDKQSA-N 1 1 650.908 6.222 1 0 KKAFMO CN(C)CC[N@@H+](C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000028102371 561901758 /nfs/dbraw/zinc/90/17/58/561901758.db2.gz CBWPDTJPGBXARO-UHFFFAOYSA-N 1 1 624.851 7.303 1 0 KKAFMO CN(CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1)CC[NH+](C)C ZINC000028102371 561901759 /nfs/dbraw/zinc/90/17/59/561901759.db2.gz CBWPDTJPGBXARO-UHFFFAOYSA-N 1 1 624.851 7.303 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccc(Cl)cc1 ZINC000028119793 561904355 /nfs/dbraw/zinc/90/43/55/561904355.db2.gz WBEAZUXNTIFSLN-UHFFFAOYSA-N 1 1 543.269 8.931 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028123566 561904656 /nfs/dbraw/zinc/90/46/56/561904656.db2.gz OTRJGARPBIJRKG-JIPXPUAJSA-N 1 1 512.481 5.726 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028124725 561904794 /nfs/dbraw/zinc/90/47/94/561904794.db2.gz CZSUCMAQMLGPBX-IOWSJCHKSA-N 1 1 627.151 6.931 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028135231 561906451 /nfs/dbraw/zinc/90/64/51/561906451.db2.gz PWPDGEOZCXYNKM-NIYFSFCBSA-N 1 1 513.469 5.121 1 0 KKAFMO C[N@H+]1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028109814 561902910 /nfs/dbraw/zinc/90/29/10/561902910.db2.gz AOIRKVVLTNNALR-UHFFFAOYSA-N 1 1 650.845 6.974 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238147 561910153 /nfs/dbraw/zinc/91/01/53/561910153.db2.gz VJKYDSYACPUUAN-UHFFFAOYSA-N 1 1 639.724 6.857 1 0 KKAFMO O=C1CN2CCc3c[nH+]cn3Cc3ccc(CCCCC(F)(F)F)c(c3)Oc3ccc4cccc(c4c3)N1CC2 ZINC000028262727 561912305 /nfs/dbraw/zinc/91/23/05/561912305.db2.gz PHGAACKWQSAJHR-UHFFFAOYSA-N 1 1 548.609 6.357 1 0 KKAFMO CC(C)(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028338392 561913769 /nfs/dbraw/zinc/91/37/69/561913769.db2.gz ULQHNTFKCVNMTK-PMERELPUSA-N 1 1 558.723 5.348 1 0 KKAFMO CC(C)c1ccc(Oc2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000028343243 561914500 /nfs/dbraw/zinc/91/45/00/561914500.db2.gz AKCNXMUAPPMEEU-PMERELPUSA-N 1 1 544.696 5.174 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028231315 561909219 /nfs/dbraw/zinc/90/92/19/561909219.db2.gz UPFGSIPNBKPQPB-LXLYTFERSA-N 1 1 574.703 7.238 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[C@@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236481 561909790 /nfs/dbraw/zinc/90/97/90/561909790.db2.gz DMEZRLWWNBWQGR-YJKLBIRBSA-N 1 1 526.668 5.459 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[C@H](O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236476 561909797 /nfs/dbraw/zinc/90/97/97/561909797.db2.gz DMEZRLWWNBWQGR-XHDJHXHHSA-N 1 1 526.668 5.459 1 0 KKAFMO CCC(=O)N(C)c1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028238519 561910065 /nfs/dbraw/zinc/91/00/65/561910065.db2.gz QMNVBIOUMGUBCW-UHFFFAOYSA-N 1 1 694.804 7.221 1 0 KKAFMO CN(Cc1ccc(-c2cccs2)s1)C(=O)[C@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000028349991 561915363 /nfs/dbraw/zinc/91/53/63/561915363.db2.gz CTXVHHMARSUXEN-BDYUSTAISA-N 1 1 568.730 8.422 1 0 KKAFMO C[N@@H+](Cc1cccc(-c2ccc(Br)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1 ZINC000028360537 561916755 /nfs/dbraw/zinc/91/67/55/561916755.db2.gz DZDHPEOBDDCTPU-ZEQRLZLVSA-N 1 1 559.291 6.464 1 0 KKAFMO O=C1CC[C@](CCN2CC([NH+]3CCC(F)CC3)C2)(c2ccc(Cl)c(Cl)c2)CN1C1(C2CC2)CCCC1 ZINC000028361941 561916939 /nfs/dbraw/zinc/91/69/39/561916939.db2.gz KOFUHFHSEDMKPW-MUUNZHRXSA-N 1 1 536.563 6.085 1 0 KKAFMO CS(=O)(=O)c1ccc(CN2CCC[N@@H+](CCC(O)(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000028362807 561917014 /nfs/dbraw/zinc/91/70/14/561917014.db2.gz HZIWSQKABKJOQE-UHFFFAOYSA-N 1 1 630.854 7.258 1 0 KKAFMO COc1ccc(CC[NH2+]C2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000028461559 561925293 /nfs/dbraw/zinc/92/52/93/561925293.db2.gz LGQYPGOMQMDOPS-UHFFFAOYSA-N 1 1 508.653 6.191 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc21 ZINC000028465537 561926194 /nfs/dbraw/zinc/92/61/94/561926194.db2.gz KBCNGWODBYJUSG-OAQYLSRUSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472100 561927028 /nfs/dbraw/zinc/92/70/28/561927028.db2.gz LISDALNKNJFZIL-OAQYLSRUSA-N 1 1 539.507 5.217 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1nccc2ccccc21 ZINC000028472496 561927271 /nfs/dbraw/zinc/92/72/71/561927271.db2.gz FYWJICYTASRDFO-OAQYLSRUSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1 ZINC000028476837 561928459 /nfs/dbraw/zinc/92/84/59/561928459.db2.gz QCVWQWXJPXRDNC-FQEVSTJZSA-N 1 1 511.497 5.648 1 0 KKAFMO C[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cc4cc(NC(=O)CC(C)(C)C)ccc4n3Cc3ccccc3F)c2)CC1 ZINC000028526045 561931827 /nfs/dbraw/zinc/93/18/27/561931827.db2.gz GCAGUVQQZCDSIK-UHFFFAOYSA-N 1 1 583.708 5.843 1 0 KKAFMO COC(=O)[C@H](C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565270 561936036 /nfs/dbraw/zinc/93/60/36/561936036.db2.gz PQKRNNAFDPMGSF-KRWDZBQOSA-N 1 1 587.906 7.498 1 0 KKAFMO COC(=O)C(C)(C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565591 561936162 /nfs/dbraw/zinc/93/61/62/561936162.db2.gz SEUUXALSENZKFO-UHFFFAOYSA-N 1 1 601.933 7.888 1 0 KKAFMO 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 561938934 /nfs/dbraw/zinc/93/89/34/561938934.db2.gz XHEDQUWNGKQHNB-OLQUXKRTSA-N 1 1 581.801 5.709 1 0 KKAFMO COc1ccc2c(c1)CC[NH+](CCC(=O)N[C@H]1C[C@H]3C[C@@](c4cccc(O)c4)(C1)[C@@H](C)C[N@@H+]3CCCc1ccccc1)C2 ZINC000028570585 561938935 /nfs/dbraw/zinc/93/89/35/561938935.db2.gz XHEDQUWNGKQHNB-OLQUXKRTSA-N 1 1 581.801 5.709 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028569154 561937779 /nfs/dbraw/zinc/93/77/79/561937779.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 1 1 501.646 5.300 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028569154 561937781 /nfs/dbraw/zinc/93/77/81/561937781.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 1 1 501.646 5.300 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[N@H+](CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028569154 561937782 /nfs/dbraw/zinc/93/77/82/561937782.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N 1 1 501.646 5.300 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937798 /nfs/dbraw/zinc/93/77/98/561937798.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])CC3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937800 /nfs/dbraw/zinc/93/78/00/561937800.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@H+](CCC(=O)[O-])CC3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937802 /nfs/dbraw/zinc/93/78/02/561937802.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937804 /nfs/dbraw/zinc/93/78/04/561937804.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])CC3)[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937806 /nfs/dbraw/zinc/93/78/06/561937806.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])CC3)[NH+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937808 /nfs/dbraw/zinc/93/78/08/561937808.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@H+](CCC(=O)[O-])CC3)[NH+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028569102 561937810 /nfs/dbraw/zinc/93/78/10/561937810.db2.gz XLNBMFNKGUOEFO-SQJKUQPUSA-N 1 1 527.709 5.212 1 0 KKAFMO Cc1ccccc1-c1cnc(N2CC[NH+](C)CC2)nc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571994 561939643 /nfs/dbraw/zinc/93/96/43/561939643.db2.gz MHCBCPKFIVQLDP-UHFFFAOYSA-N 1 1 579.589 6.182 1 0 KKAFMO CN1CCN([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2ccccc2Br)CC1 ZINC000028646201 561944948 /nfs/dbraw/zinc/94/49/48/561944948.db2.gz DHBLNDNHOSFWJG-WJOKGBTCSA-N 1 1 549.601 5.531 1 0 KKAFMO CC(C)[NH+](CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(CN4CCN(C)CC4)c3)C[C@@H]2C1)C(C)C ZINC000028650161 561945958 /nfs/dbraw/zinc/94/59/58/561945958.db2.gz MSGLJZRUHLHKNC-KXPXUPBWSA-N 1 1 598.251 6.690 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702898 561947483 /nfs/dbraw/zinc/94/74/83/561947483.db2.gz DJZGCVPXKKXFCC-WQEODHJFSA-N 1 1 712.760 8.530 1 0 KKAFMO CC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703994 561948110 /nfs/dbraw/zinc/94/81/10/561948110.db2.gz FEHOZFOZMBPRSW-JEDUBMGFSA-N 1 1 564.614 7.596 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704040 561948127 /nfs/dbraw/zinc/94/81/27/561948127.db2.gz PVVAQUKXSCGSNX-SHBOCEKNSA-N 1 1 576.625 7.596 1 0 KKAFMO CCCCCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704082 561948288 /nfs/dbraw/zinc/94/82/88/561948288.db2.gz FONMXWMXXFXJLM-OHZZBQFHSA-N 1 1 570.715 8.277 1 0 KKAFMO CCC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704060 561948295 /nfs/dbraw/zinc/94/82/95/561948295.db2.gz QVUCDCFWXARAJF-HFFMWGPHSA-N 1 1 528.634 7.106 1 0 KKAFMO C[NH+]1CCN(Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000028760183 561957836 /nfs/dbraw/zinc/95/78/36/561957836.db2.gz HNQQZKOBGZCHJY-UHFFFAOYSA-N 1 1 586.580 6.617 1 0 KKAFMO Cc1c(=O)c2cccc(C(=O)NCCC[NH+]3CCN(c4ccccc4OC(C)C)CC3)c2oc1-c1ccccc1 ZINC000028760623 561957927 /nfs/dbraw/zinc/95/79/27/561957927.db2.gz AJGRLCBBNXKRHK-UHFFFAOYSA-N 1 1 539.676 5.498 1 0 KKAFMO CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)[N@H+]2C[C@@H](C)N(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1 ZINC000028762237 561958454 /nfs/dbraw/zinc/95/84/54/561958454.db2.gz SZFYNVCLGPAKLJ-OXYPMYLPSA-N 1 1 513.682 5.582 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)CC(=O)N4CCCC4)ccn32)n1)c1ccccc1 ZINC000028822160 561966736 /nfs/dbraw/zinc/96/67/36/561966736.db2.gz ALEDTLMWQKAHNP-QHCPKHFHSA-N 1 1 563.681 5.825 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)CC(=O)N4CCCC4)ccn32)n1)c1ccccc1 ZINC000028822160 561966737 /nfs/dbraw/zinc/96/67/37/561966737.db2.gz ALEDTLMWQKAHNP-QHCPKHFHSA-N 1 1 563.681 5.825 1 0 KKAFMO CC[NH+](CC)CCN[C@@H](CC(C)C)c1cc(F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823904 561968588 /nfs/dbraw/zinc/96/85/88/561968588.db2.gz QIYPSKLPQCIXMB-XDFJSJKPSA-N 1 1 648.695 6.033 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@@H]1CCC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028879172 561976183 /nfs/dbraw/zinc/97/61/83/561976183.db2.gz CKYOUSJBAOMLEO-BYGVMDBSSA-N 1 1 582.113 5.455 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(C2CCCCC2)n1C ZINC000028897654 561979404 /nfs/dbraw/zinc/97/94/04/561979404.db2.gz ZLKBASGPUKQPQI-UHFFFAOYSA-N 1 1 585.139 6.282 1 0 KKAFMO CC(C)[N@H+](Cc1cc2c(s1)n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O)C[C@@H](O)c1ccccc1 ZINC000028901352 561979882 /nfs/dbraw/zinc/97/98/82/561979882.db2.gz VZWZQSHHQNIRAG-RUZDIDTESA-N 1 1 524.086 5.127 1 0 KKAFMO COc1ccc(CN(CC2(N3CCN(C(=O)[C@H]4C[N@@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)OC)cc1 ZINC000028954022 561982986 /nfs/dbraw/zinc/98/29/86/561982986.db2.gz ZDZFCDPVKZIKNA-ZWXJPIIXSA-N 1 1 597.244 5.683 1 0 KKAFMO COc1ccc(CN(CC2(N3CCN(C(=O)[C@H]4C[N@H+](C(C)C)C[C@@H]4c4ccc(Cl)cc4)CC3)CCCCC2)OC)cc1 ZINC000028954022 561982987 /nfs/dbraw/zinc/98/29/87/561982987.db2.gz ZDZFCDPVKZIKNA-ZWXJPIIXSA-N 1 1 597.244 5.683 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OCC4CC[NH+](Cc5ccc(Cl)c(Cl)c5)CC4)cc3)nc2c1 ZINC000028960716 561984070 /nfs/dbraw/zinc/98/40/70/561984070.db2.gz GMTBUYOZWSZVAZ-UHFFFAOYSA-N 1 1 509.437 5.927 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@H]3CCCC[N@@H+]3CC(C)C)n2)s1 ZINC000028961209 561984088 /nfs/dbraw/zinc/98/40/88/561984088.db2.gz OYFNKNKHBNWRMV-JOCHJYFZSA-N 1 1 598.695 7.445 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@@H]4CCC[N@H+](Cc5ccc(Cl)c(Cl)c5)C4)cc3)nc2c1 ZINC000028960600 561984106 /nfs/dbraw/zinc/98/41/06/561984106.db2.gz CVVJPNFPNIHLQA-GOSISDBHSA-N 1 1 509.437 5.927 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OC[C@@H]4CCC[N@@H+](Cc5ccc(Cl)c(Cl)c5)C4)cc3)nc2c1 ZINC000028960600 561984108 /nfs/dbraw/zinc/98/41/08/561984108.db2.gz CVVJPNFPNIHLQA-GOSISDBHSA-N 1 1 509.437 5.927 1 0 KKAFMO O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@H+](C[C@@]34C[C@]35CC[C@H](CCCN3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985749 /nfs/dbraw/zinc/98/57/49/561985749.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 1 1 564.774 6.416 1 0 in-vivo KKAFMO O[C@@]12C=C(c3nccc4c5ccccc5[nH]c43)[C@@H]3CC[N@@H+](C[C@@]34C[C@]35CC[C@H](CCCN3[C@H]41)O5)CCCC/C=C\CC2 ZINC000028970288 561985751 /nfs/dbraw/zinc/98/57/51/561985751.db2.gz CLKZPQNKNPCQGL-RRCNIYDASA-N 1 1 564.774 6.416 1 0 in-vivo KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975198 561986380 /nfs/dbraw/zinc/98/63/80/561986380.db2.gz HUEIIQRYVMJFKL-WMTXJRDZSA-N 1 1 573.735 5.105 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975235 561986389 /nfs/dbraw/zinc/98/63/89/561986389.db2.gz VZAFNNYJNKDUHB-VXQMPNGUSA-N 1 1 583.774 5.277 1 0 KKAFMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)CC1 ZINC000028976453 561986932 /nfs/dbraw/zinc/98/69/32/561986932.db2.gz HMGVMMLIJSUGHR-AREMUKBSSA-N 1 1 534.085 5.316 1 0 KKAFMO CN(CCC[N@H+](C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042806 561991654 /nfs/dbraw/zinc/99/16/54/561991654.db2.gz ORKIMQYINJNMRH-UHFFFAOYSA-N 1 1 550.787 6.673 1 0 KKAFMO CN(CCC[N@@H+](C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042806 561991655 /nfs/dbraw/zinc/99/16/55/561991655.db2.gz ORKIMQYINJNMRH-UHFFFAOYSA-N 1 1 550.787 6.673 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000029042926 561991790 /nfs/dbraw/zinc/99/17/90/561991790.db2.gz BKPWIYNAJFNIBS-DSPMFFIESA-N 1 1 574.209 7.301 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@H]2C[N@H+](C(C)(C)C)C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043544 561992088 /nfs/dbraw/zinc/99/20/88/561992088.db2.gz AZYLFDYQQJPDQC-XQFUHLNNSA-N 1 1 593.039 7.454 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(OC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048773 561993703 /nfs/dbraw/zinc/99/37/03/561993703.db2.gz CYXZZISOTXHUNO-IGYGKHONSA-N 1 1 555.078 6.369 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)[C@H](O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000029126099 561998450 /nfs/dbraw/zinc/99/84/50/561998450.db2.gz DLOXHZBYVRDFJU-SSEXGKCCSA-N 1 1 542.680 5.015 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126941 561999238 /nfs/dbraw/zinc/99/92/38/561999238.db2.gz DJHAFQLSNXBKIX-SFHVURJKSA-N 1 1 591.579 6.522 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126941 561999240 /nfs/dbraw/zinc/99/92/40/561999240.db2.gz DJHAFQLSNXBKIX-SFHVURJKSA-N 1 1 591.579 6.522 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126964 561999266 /nfs/dbraw/zinc/99/92/66/561999266.db2.gz IZTNHWMAUPLTML-QJJDOSOUSA-N 1 1 510.037 5.676 1 0 KKAFMO CCc1nc2cc3c(c(C)c2o1)CC[N@@H+](CCCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127298 561999786 /nfs/dbraw/zinc/99/97/86/561999786.db2.gz DYDLMZLLICKPBG-UHFFFAOYSA-N 1 1 540.737 6.324 1 0 KKAFMO Cc1nc2cc3c(cc2o1)CC[N@H+](CCCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1C)CC3 ZINC000029127366 561999865 /nfs/dbraw/zinc/99/98/65/561999865.db2.gz XJLKTBWZJKVXJX-UHFFFAOYSA-N 1 1 501.578 5.534 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4ccc5nc(C(F)(F)F)oc5c4CC3)n2C)n1 ZINC000029127525 561999974 /nfs/dbraw/zinc/99/99/74/561999974.db2.gz GGTFAVLCBBVKHN-UHFFFAOYSA-N 1 1 552.626 6.082 1 0 KKAFMO CN(CCC[N@@H+](C)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O)CCN1C(=O)c2cccc3c4occc4cc(c32)C1=O ZINC000029204890 562005022 /nfs/dbraw/zinc/00/50/22/562005022.db2.gz KHSMGYQVKLZDEX-UHFFFAOYSA-N 1 1 628.685 5.631 1 0 KKAFMO CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(=O)NCCc1nc2ccccc2[nH]1 ZINC000029345916 562016256 /nfs/dbraw/zinc/01/62/56/562016256.db2.gz BHGNIOZAEHGIME-AUXIDLRRSA-N 1 1 700.969 5.158 1 0 KKAFMO C[C@@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)c1cccc2ccccc21 ZINC000029347049 562016327 /nfs/dbraw/zinc/01/63/27/562016327.db2.gz RQBRFHPFNHJPAG-NTYRGRDKSA-N 1 1 643.637 5.195 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000029475466 562026466 /nfs/dbraw/zinc/02/64/66/562026466.db2.gz OGLNCNGICKDUAN-COCZKOEFSA-N 1 1 702.984 7.482 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)CC1CCCCC1 ZINC000029479634 562027056 /nfs/dbraw/zinc/02/70/56/562027056.db2.gz WYBYOEYFMXNFFD-CONSDPRKSA-N 1 1 549.800 6.134 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029486593 562028530 /nfs/dbraw/zinc/02/85/30/562028530.db2.gz PEIMIJSROKINQZ-HHHXNRCGSA-N 1 1 602.584 5.008 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1)[N@@H+](C)C1CCCCC1 ZINC000029487545 562028732 /nfs/dbraw/zinc/02/87/32/562028732.db2.gz KIJRQKDWYMGQST-ACHIHNKUSA-N 1 1 547.784 5.985 1 0 KKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@H+](Cc3ccccc3)[C@H]1N2Cc1ccccc1 ZINC000029488626 562028999 /nfs/dbraw/zinc/02/89/99/562028999.db2.gz YSHGAURKQQQQLD-WEZIJMHWSA-N 1 1 503.646 7.116 1 0 KKAFMO Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@H+](Cc3ccccc3)[C@H]1N2Cc1ccccc1 ZINC000029488626 562029000 /nfs/dbraw/zinc/02/90/00/562029000.db2.gz YSHGAURKQQQQLD-WEZIJMHWSA-N 1 1 503.646 7.116 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554681 562031822 /nfs/dbraw/zinc/03/18/22/562031822.db2.gz SILLYOVKLCANFF-PMERELPUSA-N 1 1 582.719 5.311 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(SC)Sc3ccccc3N(C)C2=O)c1 ZINC000029556316 562032235 /nfs/dbraw/zinc/03/22/35/562032235.db2.gz SPFGPGBVMIWKQQ-SSEXGKCCSA-N 1 1 582.744 5.488 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(C(F)(F)F)c4)c3c2)o1 ZINC000034800110 562040915 /nfs/dbraw/zinc/04/09/15/562040915.db2.gz HBNMFZZQCIPDOK-UHFFFAOYSA-N 1 1 596.631 6.365 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Cl)c(Cl)c2)[nH+]c2ccccn21 ZINC000035168362 562044795 /nfs/dbraw/zinc/04/47/95/562044795.db2.gz HLMTWYXCUNCLDP-UHFFFAOYSA-N 1 1 510.465 8.154 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1cnc(NC(=O)c2ccc(Cc3ccccc3)c(Br)c2)nc1 ZINC000034803003 562042294 /nfs/dbraw/zinc/04/22/94/562042294.db2.gz GIBRVDUATQDCGO-UHFFFAOYSA-N 1 1 684.595 5.879 1 0 KKAFMO C[C@H]1CCCC[N@H+]1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804125 562042912 /nfs/dbraw/zinc/04/29/12/562042912.db2.gz UIHDKMQRDLGFQA-JTSKRJEESA-N 1 1 501.515 5.546 1 0 KKAFMO C[C@H]1CCCCN1CC[NH2+][C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000034804125 562042914 /nfs/dbraw/zinc/04/29/14/562042914.db2.gz UIHDKMQRDLGFQA-JTSKRJEESA-N 1 1 501.515 5.546 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Oc3ccccc3)c3ccccc32)CC1 ZINC000036089364 562046921 /nfs/dbraw/zinc/04/69/21/562046921.db2.gz IOOYLGJHCPSDIU-UHFFFAOYSA-N 1 1 538.051 6.255 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccccc32)CC1 ZINC000036089430 562046923 /nfs/dbraw/zinc/04/69/23/562046923.db2.gz HMWSGGIOEHIOOI-UHFFFAOYSA-N 1 1 517.914 5.019 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)[nH+]c2ccccn21 ZINC000035343117 562045257 /nfs/dbraw/zinc/04/52/57/562045257.db2.gz GYETWBOTDDDVSR-UHFFFAOYSA-N 1 1 510.465 8.154 1 0 KKAFMO Cc1cccc(C)c1-n1nnnc1[C@H](c1cccc2ccccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000035953518 562045929 /nfs/dbraw/zinc/04/59/29/562045929.db2.gz KGOUUVJDLIRPDX-OYLFJNDKSA-N 1 1 514.677 5.853 3 0 KKAFMO CC[NH+](CC)C[C@@H](c1ccccc1F)N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H]2c3ccccc3CN2C)CC1 ZINC000036284684 562053376 /nfs/dbraw/zinc/05/33/76/562053376.db2.gz CXNCKVKDTNIURI-SXLOSVNLSA-N 1 1 634.240 5.311 1 0 KKAFMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294663 562054747 /nfs/dbraw/zinc/05/47/47/562054747.db2.gz MUAQEKVYFBHQJO-HXUWFJFHSA-N 1 1 526.855 5.899 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)NC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331638 562056812 /nfs/dbraw/zinc/05/68/12/562056812.db2.gz KVQLZXBEOFLUBY-UHFFFAOYSA-N 1 1 630.717 6.617 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)NC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331638 562056814 /nfs/dbraw/zinc/05/68/14/562056814.db2.gz KVQLZXBEOFLUBY-UHFFFAOYSA-N 1 1 630.717 6.617 1 0 KKAFMO CN(C(=O)c1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000036351498 562058457 /nfs/dbraw/zinc/05/84/57/562058457.db2.gz PVIPSFPLLZFEEP-VMPREFPWSA-N 1 1 593.143 6.177 1 0 KKAFMO COC(=O)c1ccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC3)cc1 ZINC000036351541 562058553 /nfs/dbraw/zinc/05/85/53/562058553.db2.gz VTHCMTQNHHNLEM-PIRIWWGTSA-N 1 1 576.635 5.223 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000036378318 562059641 /nfs/dbraw/zinc/05/96/41/562059641.db2.gz XSULJBUFDAGKHO-WNCULLNHSA-N 1 1 534.741 6.863 3 0 KKAFMO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000036476033 562060854 /nfs/dbraw/zinc/06/08/54/562060854.db2.gz YKMFCEDRJVURBP-UHFFFAOYSA-N 1 1 525.118 6.448 1 0 KKAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(N(C)CCC[NH+]3CCOCC3)ncc2c1 ZINC000036758597 562061455 /nfs/dbraw/zinc/06/14/55/562061455.db2.gz WKGOYAITUGNCTH-UHFFFAOYSA-N 1 1 577.651 6.343 1 0 KKAFMO COc1ccc([C@H](CC[N@H+]2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000038141652 562063314 /nfs/dbraw/zinc/06/33/14/562063314.db2.gz YKBLRVYOYVWBGS-WDDWZANVSA-N 1 1 619.755 6.433 3 0 KKAFMO CC(C)CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150645 562066447 /nfs/dbraw/zinc/06/64/47/562066447.db2.gz GBYYUEIXEOYDDW-SVBPBHIXSA-N 1 1 522.686 5.175 1 0 KKAFMO COCCCn1c2ccc(C[N@@H+](C)C3CCCCC3)cc2nc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000040423783 562076278 /nfs/dbraw/zinc/07/62/78/562076278.db2.gz FPSXPFZKLNQOGJ-UHFFFAOYSA-N 1 1 502.581 6.108 1 0 KKAFMO COC[C@H]1CCC[N@H+](C2CCN(c3nc4cc(OC)c(OC)cc4c(Nc4ccc(Cl)cc4)n3)CC2)C1 ZINC000040424252 562076462 /nfs/dbraw/zinc/07/64/62/562076462.db2.gz IUJUWXIRDRYWGN-IBGZPJMESA-N 1 1 526.081 5.371 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCC[C@H](C[C@H](NC(=O)C3CCC3)c3ccccc3)C2)CC1 ZINC000040897024 562083156 /nfs/dbraw/zinc/08/31/56/562083156.db2.gz VEPNEHUJRMVZLF-IRPSRAIASA-N 1 1 501.715 5.668 1 0 KKAFMO COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)[N@H+]([C@H](C(=O)NC1CC1)c1ccccc1)CC2 ZINC000040950063 562085919 /nfs/dbraw/zinc/08/59/19/562085919.db2.gz RWSZLMVCERHQGM-PPTMTGTBSA-N 1 1 506.646 6.019 1 0 KKAFMO CCCCC[C@@H](C[C@@H](CCc1cc(Cc2cc[nH+]c(N)c2)c(O)c(OC2CCCCC2)c1)OC(C)=O)OC(C)=O ZINC000085629516 560068431 /nfs/dbraw/zinc/06/84/31/560068431.db2.gz QLPMSLKJTHCKDR-URLMMPGGSA-N 1 1 554.728 6.438 1 0 biogenic,in-vitro KKAFMO CNC[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 560072306 /nfs/dbraw/zinc/07/23/06/560072306.db2.gz YZUGFQCEXVXTHX-WRGYRJNBSA-N 1 1 562.883 6.634 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCC4(C(C)C)CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532480 560072555 /nfs/dbraw/zinc/07/25/55/560072555.db2.gz DVOCEOVKCSYGGS-HLKIMZPFSA-N 1 1 589.817 7.295 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@H]4CCCC[C@@H]4CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532616 560072630 /nfs/dbraw/zinc/07/26/30/560072630.db2.gz ISCNFFNYRZMEAN-GWWPHXSHSA-N 1 1 527.746 6.462 1 0 biogenic,in-vitro KKAFMO COC1=C(CO)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532431 560072859 /nfs/dbraw/zinc/07/28/59/560072859.db2.gz NDUAAJIQFBCKLT-MRSWZEASSA-N 1 1 551.724 5.097 1 0 biogenic,in-vitro KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4[C@@H](CC[N@H+]4Cc4ccccc4)C3)o2)c1)c1ccc(C(F)(F)F)cc1 ZINC000043450353 562648548 /nfs/dbraw/zinc/64/85/48/562648548.db2.gz BGOXVMFCSBFTSC-OZXSUGGESA-N 1 1 584.602 6.267 1 0 KKAFMO COc1cccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@@H+](C)Cc3ccccc3)cc2)c1 ZINC000044281506 562653159 /nfs/dbraw/zinc/65/31/59/562653159.db2.gz BOVRTYYXYHNWRY-UHFFFAOYSA-N 1 1 561.722 8.801 1 0 KKAFMO O=C(CCCc1ccccc1)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000044305082 562653363 /nfs/dbraw/zinc/65/33/63/562653363.db2.gz QQNVIMGZEUSMBJ-QNGWXLTQSA-N 1 1 611.777 7.808 1 0 KKAFMO Cc1ccc(C(=O)c2c3ccccc3oc2-c2ccc(OCCCCCCC[N@H+](C)Cc3ccccc3)cc2)cc1 ZINC000044358895 562655399 /nfs/dbraw/zinc/65/53/99/562655399.db2.gz ASTZQAAKBGEWAA-UHFFFAOYSA-N 1 1 545.723 9.101 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000044359632 562655504 /nfs/dbraw/zinc/65/55/04/562655504.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 1 1 608.735 6.859 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000044359632 562655505 /nfs/dbraw/zinc/65/55/05/562655505.db2.gz MYHQIVSWYXBWOC-FQLXRVMXSA-N 1 1 608.735 6.859 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)C[N@@H+](CCCc3ccccc3)C2)C1=O ZINC000044404135 562656395 /nfs/dbraw/zinc/65/63/95/562656395.db2.gz HEKQABCBYYCZHJ-YIOBJHAYSA-N 1 1 524.661 5.481 1 0 KKAFMO Cc1noc(-c2ccc3c(c2)CC[N@H+](CCC2CCC(NC(=O)/C=C/c4cccc(Cl)c4)CC2)CC3)n1 ZINC000045167415 562658039 /nfs/dbraw/zinc/65/80/39/562658039.db2.gz XAJGLGDFKWGARX-KPKJPENVSA-N 1 1 519.089 5.878 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045167777 562658081 /nfs/dbraw/zinc/65/80/81/562658081.db2.gz VBTDCXMICSSXJK-UHFFFAOYSA-N 1 1 518.543 5.169 1 0 KKAFMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4cccc(C(F)(F)F)c4)cs3)C2)cc1 ZINC000045168549 562658123 /nfs/dbraw/zinc/65/81/23/562658123.db2.gz HFFFPBHPXGOZNK-HXUWFJFHSA-N 1 1 500.630 6.983 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Oc3ccccn3)cc2)o1 ZINC000045187025 562658228 /nfs/dbraw/zinc/65/82/28/562658228.db2.gz MBBGXAYUQXIQGL-UHFFFAOYSA-N 1 1 514.607 5.560 1 0 KKAFMO C[N@@H+](CCCCNC(=O)c1cc2ccccc2[nH]1)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21 ZINC000045187817 562658294 /nfs/dbraw/zinc/65/82/94/562658294.db2.gz DMXIGACZQWXTRE-NDEPHWFRSA-N 1 1 530.713 6.023 1 0 KKAFMO CC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5[nH+]ccc(N6CCN(C)CC6)c5c4)cccc23)cc1 ZINC000045189585 562658396 /nfs/dbraw/zinc/65/83/96/562658396.db2.gz HIDLPRJLYWYNFJ-UHFFFAOYSA-N 1 1 528.656 6.191 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CNC(=O)/C=C/c2ccccc2)C1 ZINC000045190121 562658422 /nfs/dbraw/zinc/65/84/22/562658422.db2.gz CBLNDHFSGGQIGI-OHZSXIGZSA-N 1 1 528.524 5.835 1 0 KKAFMO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3c[nH]c4ccncc43)CC2)CC1 ZINC000045191598 562658583 /nfs/dbraw/zinc/65/85/83/562658583.db2.gz HGXQNRFBNVBQEV-DUXPYHPUSA-N 1 1 511.497 6.391 1 0 KKAFMO O=C(Nc1ccc(-c2ccccc2)s1)N[C@H]1CCN(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1 ZINC000045192489 562658598 /nfs/dbraw/zinc/65/85/98/562658598.db2.gz POOUKISFVOKVNB-SANMLTNESA-N 1 1 518.727 6.066 1 0 KKAFMO FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)nc2c1 ZINC000045193040 562658703 /nfs/dbraw/zinc/65/87/03/562658703.db2.gz CEFBMGJPEATIPV-UHFFFAOYSA-N 1 1 513.567 6.633 1 0 KKAFMO CCOc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000045193539 562658786 /nfs/dbraw/zinc/65/87/86/562658786.db2.gz KTZMCFMSHJJQGG-UHFFFAOYSA-N 1 1 507.009 5.816 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000045194793 562658807 /nfs/dbraw/zinc/65/88/07/562658807.db2.gz VXZKPXUOCABTCN-JLHYYAGUSA-N 1 1 503.474 5.533 1 0 KKAFMO O=C(N[C@H]1CCN(Cc2ccc(OCCC[NH+]3CCCCC3)cc2)C1)c1ccc(Oc2ccccc2)cc1 ZINC000045201474 562659030 /nfs/dbraw/zinc/65/90/30/562659030.db2.gz KBAPFMBPXXRZKD-NDEPHWFRSA-N 1 1 513.682 5.738 1 0 KKAFMO Cc1cc(C)c(NC(=O)N[C@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(C)c1 ZINC000045202227 562659097 /nfs/dbraw/zinc/65/90/97/562659097.db2.gz SVNBCXOGKMCLJS-LBQODKDLSA-N 1 1 531.528 6.114 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000045209753 562659195 /nfs/dbraw/zinc/65/91/95/562659195.db2.gz KVVPFQGDXRKBEP-ZTOMLWHTSA-N 1 1 528.524 5.449 1 0 KKAFMO CCCCC[N@H+]1CCCC[C@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210381 562659290 /nfs/dbraw/zinc/65/92/90/562659290.db2.gz LAADWCKHEFLRPP-QFIPXVFZSA-N 1 1 511.610 5.281 1 0 KKAFMO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229943 562659584 /nfs/dbraw/zinc/65/95/84/562659584.db2.gz UMVQRVFLSLPAEH-BHDDXSALSA-N 1 1 521.464 5.419 1 0 KKAFMO Ic1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](CC2CCC2)CC4)cc1 ZINC000045299357 562660362 /nfs/dbraw/zinc/66/03/62/562660362.db2.gz ANRBPZIHUJJUFY-KJYTXNCISA-N 1 1 526.506 6.762 1 0 KKAFMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000045301831 562660529 /nfs/dbraw/zinc/66/05/29/562660529.db2.gz FORAXJIIDUEKDC-SFHVURJKSA-N 1 1 502.558 5.457 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045302093 562660623 /nfs/dbraw/zinc/66/06/23/562660623.db2.gz VYCNYARMVFQFEM-UHFFFAOYSA-N 1 1 518.543 5.169 1 0 KKAFMO CS(=O)(=O)NCCC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)c1 ZINC000045324153 562661175 /nfs/dbraw/zinc/66/11/75/562661175.db2.gz MLZJVNCSYMCDCC-UHFFFAOYSA-N 1 1 508.591 5.006 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045339077 562661527 /nfs/dbraw/zinc/66/15/27/562661527.db2.gz GDOYTQUYGSCDPA-UHFFFAOYSA-N 1 1 518.543 5.169 1 0 KKAFMO COc1ccccc1/C=C1\OC(=O)C=C1C[NH+]1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000045358925 562662009 /nfs/dbraw/zinc/66/20/09/562662009.db2.gz VNMGXUBVHVIIND-MIXAMLLLSA-N 1 1 525.048 6.264 1 0 KKAFMO O=S(=O)(c1cccc2cccnc21)N(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1 ZINC000045372219 562662241 /nfs/dbraw/zinc/66/22/41/562662241.db2.gz ZKUHCHZEFSTLSS-UHFFFAOYSA-N 1 1 524.706 5.157 1 0 KKAFMO O=S(=O)(c1cccc2ccccc21)N(CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC000045386809 562662440 /nfs/dbraw/zinc/66/24/40/562662440.db2.gz CVHVMGILPDMNDK-UHFFFAOYSA-N 1 1 505.728 5.623 1 0 KKAFMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21 ZINC000045389801 562662513 /nfs/dbraw/zinc/66/25/13/562662513.db2.gz SVNHWLZUROYKTP-LADGPHEKSA-N 1 1 516.856 6.931 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(F)c(F)c1 ZINC000045497062 562662711 /nfs/dbraw/zinc/66/27/11/562662711.db2.gz XEBPZCFVRSISHA-FIBWVYCGSA-N 1 1 522.636 6.172 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(F)c(F)c1 ZINC000045497062 562662712 /nfs/dbraw/zinc/66/27/12/562662712.db2.gz XEBPZCFVRSISHA-FIBWVYCGSA-N 1 1 522.636 6.172 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(NC(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000048307331 562662961 /nfs/dbraw/zinc/66/29/61/562662961.db2.gz BLKQMXAHAGKFHQ-ODLFYWEKSA-N 1 1 516.682 6.554 1 0 KKAFMO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+]4CCC[C@H]4Cc4ccccc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049051648 562663786 /nfs/dbraw/zinc/66/37/86/562663786.db2.gz SOBWJJMARWEHLE-NRFANRHFSA-N 1 1 500.996 6.930 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc(O)c4)c(-c4ccncc4)nn32)c(Cl)c1 ZINC000049089363 562664422 /nfs/dbraw/zinc/66/44/22/562664422.db2.gz DODFKUBADJWIEL-VXKWHMMOSA-N 1 1 509.013 5.377 1 0 KKAFMO CCC[N@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1cccc(F)c1 ZINC000049109863 562664500 /nfs/dbraw/zinc/66/45/00/562664500.db2.gz XWSXOCQGZQWMIX-UHFFFAOYSA-N 1 1 506.975 7.274 1 0 KKAFMO CCC[N@@H+](Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1cccc(F)c1 ZINC000049109863 562664501 /nfs/dbraw/zinc/66/45/01/562664501.db2.gz XWSXOCQGZQWMIX-UHFFFAOYSA-N 1 1 506.975 7.274 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCSc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC ZINC000049605192 562665444 /nfs/dbraw/zinc/66/54/44/562665444.db2.gz QPSPCDMHEHVXON-UHFFFAOYSA-N 1 1 593.749 7.079 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)cc1)CC2 ZINC000049605268 562665644 /nfs/dbraw/zinc/66/56/44/562665644.db2.gz LBRRZPAUTMLDFX-UHFFFAOYSA-N 1 1 539.554 5.937 1 0 KKAFMO CCc1ccc(C[N@@H+](CCCOc2cccc(CC(=O)NCc3c[nH]cn3)c2)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000049605293 562665652 /nfs/dbraw/zinc/66/56/52/562665652.db2.gz MWXSIFNYNRWNAL-UHFFFAOYSA-N 1 1 562.718 5.488 1 0 KKAFMO CCc1ccc(C[N@H+](CCCOc2cccc(CC(=O)NCc3cnc[nH]3)c2)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000049605293 562665653 /nfs/dbraw/zinc/66/56/53/562665653.db2.gz MWXSIFNYNRWNAL-UHFFFAOYSA-N 1 1 562.718 5.488 1 0 KKAFMO CCc1ccc(C[N@@H+](CCCOc2cccc(CC(=O)NCc3cnc[nH]3)c2)Cc2ccc(-n3ccnc3)cc2)cc1 ZINC000049605293 562665654 /nfs/dbraw/zinc/66/56/54/562665654.db2.gz MWXSIFNYNRWNAL-UHFFFAOYSA-N 1 1 562.718 5.488 1 0 KKAFMO Cc1noc(C)c1-c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)cc2)c1 ZINC000049605700 562666257 /nfs/dbraw/zinc/66/62/57/562666257.db2.gz WKPLRWGUWPODBF-UHFFFAOYSA-N 1 1 558.629 8.539 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049613921 562666480 /nfs/dbraw/zinc/66/64/80/562666480.db2.gz OTLNOYQUHXVXIV-WEVVVXLNSA-N 1 1 541.882 5.935 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049615748 562666680 /nfs/dbraw/zinc/66/66/80/562666680.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 1 1 650.772 7.079 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049615748 562666681 /nfs/dbraw/zinc/66/66/81/562666681.db2.gz QQHBFLLFMBTZBU-IOWSJCHKSA-N 1 1 650.772 7.079 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000049615449 562666688 /nfs/dbraw/zinc/66/66/88/562666688.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 1 1 726.870 8.681 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000049615449 562666689 /nfs/dbraw/zinc/66/66/89/562666689.db2.gz KPCQWYVBTAWTPJ-MPQUPPDSSA-N 1 1 726.870 8.681 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@](CC[N@H+]3CC[C@H]4c5ccccc5C[C@@H]43)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626436 562667175 /nfs/dbraw/zinc/66/71/75/562667175.db2.gz UZTAOZVXKCECDZ-RESPRDEJSA-N 1 1 611.566 6.191 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049654827 562668161 /nfs/dbraw/zinc/66/81/61/562668161.db2.gz QNSUBOTUABVDSJ-DPIBHUQISA-N 1 1 629.794 7.465 1 0 KKAFMO O=C(Nc1ccc(I)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000049694620 562669535 /nfs/dbraw/zinc/66/95/35/562669535.db2.gz WEVXIPWDOXZIKE-DKRHUIDYSA-N 1 1 556.488 6.761 1 0 KKAFMO C[NH+](C)CCN1C(=O)c2cccc3c(N4CCN(C(=O)c5ccc(N6CCN(CC=C(c7ccccc7)c7ccccc7)CC6)cc5)CC4)ccc(c32)C1=O ZINC000049694872 562669886 /nfs/dbraw/zinc/66/98/86/562669886.db2.gz YOUYJAYFHLBEAA-UHFFFAOYSA-N 1 1 732.929 6.214 1 0 KKAFMO CC(C)(CCCCCCC(C)(C)C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3)C(=O)OCc1ccccc1 ZINC000049708532 562670960 /nfs/dbraw/zinc/67/09/60/562670960.db2.gz PJTRSVXDCXQUPF-KVDSRRFTSA-N 1 1 641.937 9.587 1 0 KKAFMO Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(-c2ccccc2)cs1)[C@H](O)C[N@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000049709606 562671357 /nfs/dbraw/zinc/67/13/57/562671357.db2.gz VJUMZYLREUMKCS-QBBNIFMNSA-N 1 1 617.856 5.927 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000049710973 562671918 /nfs/dbraw/zinc/67/19/18/562671918.db2.gz CKJUXBYRDUDCCC-SGPSMNCZSA-N 1 1 524.708 8.712 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049711035 562671942 /nfs/dbraw/zinc/67/19/42/562671942.db2.gz NKILNBZJPOZQEA-KPURRNSFSA-N 1 1 595.628 6.179 1 0 KKAFMO COc1cccc(OC[C@H]2CCC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c1 ZINC000049722585 562672256 /nfs/dbraw/zinc/67/22/56/562672256.db2.gz QTAKTQLXWVARJB-QHCPKHFHSA-N 1 1 550.099 5.902 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000049722634 562672280 /nfs/dbraw/zinc/67/22/80/562672280.db2.gz RXEVELWDBBDFGK-ACUNGTFPSA-N 1 1 606.538 6.002 1 0 KKAFMO Cc1ccc([C@H]2N(c3ccccc3)O[C@H](c3ccccc3)[C@@]23C[N@@H+]([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049722655 562672333 /nfs/dbraw/zinc/67/23/33/562672333.db2.gz ZFIXAPLUCJNISD-BREOONDBSA-N 1 1 502.658 7.252 1 0 KKAFMO CC(C)c1ccc(NC(=O)N[C@H]2CC[N@@H+](CCCCCN(C)C(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049723007 562672810 /nfs/dbraw/zinc/67/28/10/562672810.db2.gz CLPJRMRZKPOGDZ-RARRKCLYSA-N 1 1 545.555 6.655 1 0 KKAFMO C[NH+]1CCN(c2nsc3ccc(-c4ccc(NC(=O)Nc5cc(C(F)(F)F)ccc5F)cc4)cc32)CC1 ZINC000049723046 562672874 /nfs/dbraw/zinc/67/28/74/562672874.db2.gz RMFVVEYEEQNRKY-UHFFFAOYSA-N 1 1 529.563 6.517 1 0 KKAFMO CC(C)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049744760 562673486 /nfs/dbraw/zinc/67/34/86/562673486.db2.gz JIGUGHQILNEKMB-AVRDVDJQSA-N 1 1 559.582 6.950 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1F)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744867 562673545 /nfs/dbraw/zinc/67/35/45/562673545.db2.gz LQKSVBWVXREMMV-UFYCRDLUSA-N 1 1 555.909 6.072 1 0 KKAFMO O=C(Nc1cc(F)cc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049745248 562673747 /nfs/dbraw/zinc/67/37/47/562673747.db2.gz GUNSFAQQGCFKPF-ILWGZMRPSA-N 1 1 539.454 5.558 1 0 KKAFMO C[C@@H]1C[N@H+](C(c2ccccc2)c2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000049746223 562674361 /nfs/dbraw/zinc/67/43/61/562674361.db2.gz HIAKXKGKRDVPMY-FCHUYYIVSA-N 1 1 571.121 5.427 1 0 KKAFMO C[C@@H]1C[N@@H+](C(c2ccccc2)c2ccccc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000049746223 562674362 /nfs/dbraw/zinc/67/43/62/562674362.db2.gz HIAKXKGKRDVPMY-FCHUYYIVSA-N 1 1 571.121 5.427 1 0 KKAFMO COc1ccc(-c2nc(SCCCCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000049756178 562674843 /nfs/dbraw/zinc/67/48/43/562674843.db2.gz SDOVRMIYOCMSMH-UHFFFAOYSA-N 1 1 646.857 7.957 1 0 KKAFMO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756116 562674872 /nfs/dbraw/zinc/67/48/72/562674872.db2.gz OHKVKGLOZBILIN-UFYCRDLUSA-N 1 1 589.461 6.437 1 0 KKAFMO O=S(=O)(C1CC1)N1CC[NH+](C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049757165 562675620 /nfs/dbraw/zinc/67/56/20/562675620.db2.gz XQPAWPWKIALBKU-BVZFJXPGSA-N 1 1 542.960 5.714 1 0 KKAFMO CC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049767732 562677703 /nfs/dbraw/zinc/67/77/03/562677703.db2.gz CUHMRZBFKJMSFQ-BTYSJIOQSA-N 1 1 555.576 5.787 1 0 KKAFMO Clc1ccc(CN2CCN(c3c4[nH]c(-c5ccc(C[NH+]6CCOCC6)cc5)nc4ncc3Br)CC2)cc1 ZINC000049775621 562679157 /nfs/dbraw/zinc/67/91/57/562679157.db2.gz IZRXRZKKTJHSGV-UHFFFAOYSA-N 1 1 581.946 5.195 1 0 in-vitro KKAFMO C[N@H+]1CCC[C@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000049777500 562680082 /nfs/dbraw/zinc/68/00/82/562680082.db2.gz SBSYQSASKXLENU-QFIPXVFZSA-N 1 1 556.674 7.000 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000049777499 562680100 /nfs/dbraw/zinc/68/01/00/562680100.db2.gz SBSYQSASKXLENU-JOCHJYFZSA-N 1 1 556.674 7.000 1 0 KKAFMO S=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777636 562680326 /nfs/dbraw/zinc/68/03/26/562680326.db2.gz NOGQVMFPQFEQBQ-QRIZJJBVSA-N 1 1 680.044 6.958 1 0 KKAFMO CN(CCCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccccc3)cc2)C1)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000049777957 562680750 /nfs/dbraw/zinc/68/07/50/562680750.db2.gz OTHBAGWCTBAQJP-JGCGNYSVSA-N 1 1 595.571 7.324 1 0 KKAFMO O[C@@H](CO[C@@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780193 562681415 /nfs/dbraw/zinc/68/14/15/562681415.db2.gz ZUFUIYOZVFSEPX-GOJCVTOHSA-N 1 1 542.723 6.714 1 0 KKAFMO O=C(N[C@H](Cc1ccccc1)C[N@@H+](Cc1cnc2ccccc2c1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049780324 562681639 /nfs/dbraw/zinc/68/16/39/562681639.db2.gz FNQUUONWSOHCPS-JHOUSYSJSA-N 1 1 706.894 7.025 1 0 KKAFMO CC(=O)NC(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049781344 562682950 /nfs/dbraw/zinc/68/29/50/562682950.db2.gz KMNARKQYUZICHM-REUBFRLUSA-N 1 1 600.194 6.703 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(C[NH2+]CCCN4CCN(C)CC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784107 562683430 /nfs/dbraw/zinc/68/34/30/562683430.db2.gz RDIZFHYTFVBBCX-UHFFFAOYSA-N 1 1 591.764 5.484 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(-c4cccc(C[NH+]5CCOCC5)c4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000049784195 562683502 /nfs/dbraw/zinc/68/35/02/562683502.db2.gz CMWCUAWBNRSCEK-UHFFFAOYSA-N 1 1 549.679 5.706 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2=CC(C)(C)N(O)C2(C)C)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049784943 562683832 /nfs/dbraw/zinc/68/38/32/562683832.db2.gz KRXRRXMBTCTFSD-BHVANESWSA-N 1 1 625.851 5.874 1 0 KKAFMO O=C(N[C@@H](Cc1ccccc1)C[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1)CC1CC1)OCc1cncs1 ZINC000049793358 562684759 /nfs/dbraw/zinc/68/47/59/562684759.db2.gz QYQNOMZLEZZSFR-NSOVKSMOSA-N 1 1 619.813 5.687 1 0 KKAFMO CC(=O)NC(C)(C)[C@H]1CC2(CCN(C(=O)[C@H]3C[N@H+](C(C)(C)C)C[C@@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000049793432 562684813 /nfs/dbraw/zinc/68/48/13/562684813.db2.gz KMNARKQYUZICHM-PBWSGDRGSA-N 1 1 600.194 6.703 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCC[NH+]5CCN(CC)CC5)c(OC)cc43)ccc2s1 ZINC000049803042 562685999 /nfs/dbraw/zinc/68/59/99/562685999.db2.gz MYHOVGZNLUTPNZ-UHFFFAOYSA-N 1 1 549.697 5.180 1 0 KKAFMO Cc1ccccc1C[N@@H+](CCc1ccc(Cl)c(Cl)c1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 ZINC000049881464 562690805 /nfs/dbraw/zinc/69/08/05/562690805.db2.gz YGQNASRWVQGKKI-QHCPKHFHSA-N 1 1 537.509 5.158 1 0 KKAFMO Cc1ccc(C[N@@H+](CCc2ccc(Cl)c(Cl)c2)C[C@H](O)COc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000049881465 562690809 /nfs/dbraw/zinc/69/08/09/562690809.db2.gz NBUXXQAKIDWTON-QHCPKHFHSA-N 1 1 537.509 5.158 1 0 KKAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000049889296 562691979 /nfs/dbraw/zinc/69/19/79/562691979.db2.gz FCDNRJDHYPWDHC-UHFFFAOYSA-N 1 1 644.728 6.144 1 0 KKAFMO CN1CCN(CC[N@H+](C)Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049898894 562692964 /nfs/dbraw/zinc/69/29/64/562692964.db2.gz CVUXIABNRCIXRF-UHFFFAOYSA-N 1 1 693.849 7.048 1 0 KKAFMO CN1CCN(CC[N@@H+](C)Cc2ccc(-c3cc4nccc(Oc5ccc(NC(=O)N6CCN(c7ccccc7)C6=O)cc5F)c4s3)cc2)CC1 ZINC000049898894 562692965 /nfs/dbraw/zinc/69/29/65/562692965.db2.gz CVUXIABNRCIXRF-UHFFFAOYSA-N 1 1 693.849 7.048 1 0 KKAFMO COc1ccccc1OCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049899389 562693100 /nfs/dbraw/zinc/69/31/00/562693100.db2.gz NUSQKZNDRMDGCK-FYBSXPHGSA-N 1 1 650.603 5.997 1 0 KKAFMO COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCc4cccnc4)cn3)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000049917610 562693624 /nfs/dbraw/zinc/69/36/24/562693624.db2.gz WVERAKKXMFPYPM-UHFFFAOYSA-N 1 1 685.844 7.237 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3ccc(Cl)cc3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049917697 562693789 /nfs/dbraw/zinc/69/37/89/562693789.db2.gz CVACZFYQVUKCCT-KPURRNSFSA-N 1 1 562.076 5.814 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917857 562694026 /nfs/dbraw/zinc/69/40/26/562694026.db2.gz DJGWKTWKRTXWLC-LEWJYISDSA-N 1 1 619.943 7.295 1 0 KKAFMO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCC[N@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694086 /nfs/dbraw/zinc/69/40/86/562694086.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 1 1 600.594 8.951 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCCC[N@@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694087 /nfs/dbraw/zinc/69/40/87/562694087.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 1 1 600.594 8.951 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCCC[N@H+]4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 562694088 /nfs/dbraw/zinc/69/40/88/562694088.db2.gz QNFKCDNHIDMEBE-QFIPXVFZSA-N 1 1 600.594 8.951 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2cc(-c3ccc(NC(=O)CC)cc3)c(C[N@@H+](C)Cc3ccccc3)cc2c1=O ZINC000053206581 562696469 /nfs/dbraw/zinc/69/64/69/562696469.db2.gz JBODSIHHJZNESW-UHFFFAOYSA-N 1 1 623.700 7.152 1 0 KKAFMO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(C(=O)c3ccccc3)cc1)CC2 ZINC000053243976 562696878 /nfs/dbraw/zinc/69/68/78/562696878.db2.gz UDAOWMQHKCNMAK-LJAQVGFWSA-N 1 1 529.725 5.350 1 0 KKAFMO CN1CC[NH+](CCNc2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053293643 562697149 /nfs/dbraw/zinc/69/71/49/562697149.db2.gz RXAUDONEMZYHCD-UHFFFAOYSA-N 1 1 621.590 5.726 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(C)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1 ZINC000053294412 562697272 /nfs/dbraw/zinc/69/72/72/562697272.db2.gz ZCTNXUOUMYXZIF-UHFFFAOYSA-N 1 1 632.809 5.213 1 0 KKAFMO CC(=O)N1CCC(C(=O)N2CCC([NH+]3CCN(C(=O)c4cc(-c5ccc(F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1 ZINC000053295807 562697313 /nfs/dbraw/zinc/69/73/13/562697313.db2.gz GZKXHIOREJCCDY-UHFFFAOYSA-N 1 1 636.772 5.043 1 0 KKAFMO Cc1cc(-c2ccccc2)n(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000055646884 562697784 /nfs/dbraw/zinc/69/77/84/562697784.db2.gz FNNDUXYZPVJOBO-KCTCJIHVSA-N 1 1 540.752 6.245 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058506648 562698362 /nfs/dbraw/zinc/69/83/62/562698362.db2.gz UUGGIAKGPDBAOH-ZOYWYXQUSA-N 1 1 532.128 6.005 1 0 KKAFMO Cc1ccc(CNC(=O)C[C@H](C)CC(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058506648 562698363 /nfs/dbraw/zinc/69/83/63/562698363.db2.gz UUGGIAKGPDBAOH-ZOYWYXQUSA-N 1 1 532.128 6.005 1 0 KKAFMO CC(C)(C)C[N@@H+](C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000058511592 562698425 /nfs/dbraw/zinc/69/84/25/562698425.db2.gz XBOFJPSCQGVLPB-IZLXSDGUSA-N 1 1 635.856 6.323 1 0 KKAFMO CC(C)c1cccc2c1NC(=O)[C@@]21[NH2+][C@H](c2ccccc2)[C@H](c2ccccc2)[C@]12CN(c1ccccc1)CCC2=O ZINC000058538393 562698826 /nfs/dbraw/zinc/69/88/26/562698826.db2.gz WFOIUZJENBHFHE-AEPFBTHJSA-N 1 1 541.695 6.552 1 0 KKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]2COC(=O)CCC(=O)OC[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000058538550 562698879 /nfs/dbraw/zinc/69/88/79/562698879.db2.gz SFJCDXPAZDITGW-UVKREGSUSA-N 1 1 685.541 8.801 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccc(Cl)cc2)n1C ZINC000058541301 562698927 /nfs/dbraw/zinc/69/89/27/562698927.db2.gz CJPJTYFLNNQHDT-UHFFFAOYSA-N 1 1 519.904 5.903 1 0 KKAFMO CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(=[NH+]c1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000059033286 562701616 /nfs/dbraw/zinc/70/16/16/562701616.db2.gz LGVRWYKMQHXANZ-VWLOTQADSA-N 1 1 580.766 7.223 1 0 KKAFMO COc1cc(OC)c2c(c1[C@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000059744875 562702194 /nfs/dbraw/zinc/70/21/94/562702194.db2.gz SVGCVFQVDCWGPY-SICUDWHYSA-N 1 1 585.789 6.531 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(C(F)(F)F)c1 ZINC000064453613 562705623 /nfs/dbraw/zinc/70/56/23/562705623.db2.gz FRBQGDYIANBVIV-SFTDATJTSA-N 1 1 566.591 5.913 1 0 KKAFMO C[N@@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453804 562705626 /nfs/dbraw/zinc/70/56/26/562705626.db2.gz GOECJKFZTREFBV-OALUTQOASA-N 1 1 534.574 5.173 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1F ZINC000064453804 562705627 /nfs/dbraw/zinc/70/56/27/562705627.db2.gz GOECJKFZTREFBV-OALUTQOASA-N 1 1 534.574 5.173 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549872 562708165 /nfs/dbraw/zinc/70/81/65/562708165.db2.gz DSCWQEVYSNSKRA-PPYDQSFFSA-N 1 1 585.487 6.712 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CC[N@@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066073931 562709600 /nfs/dbraw/zinc/70/96/00/562709600.db2.gz LENKUUPXOOPDDB-FQEVSTJZSA-N 1 1 621.440 6.800 1 0 KKAFMO C[C@H]1CN(c2ncc(C(=O)NCc3ccc(Cl)c(Cl)c3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066073931 562709601 /nfs/dbraw/zinc/70/96/01/562709601.db2.gz LENKUUPXOOPDDB-FQEVSTJZSA-N 1 1 621.440 6.800 1 0 KKAFMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1ccc(C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000066074275 562709788 /nfs/dbraw/zinc/70/97/88/562709788.db2.gz NLIKRVUFEZIMOB-OAQYLSRUSA-N 1 1 554.085 5.118 1 0 KKAFMO Cc1ccccc1Nc1nc(Nc2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)nc(N2CC[NH+](C)CC2)n1 ZINC000066076364 562710154 /nfs/dbraw/zinc/71/01/54/562710154.db2.gz KVFPIYNNMBTJBD-UHFFFAOYSA-N 1 1 552.086 6.364 1 0 KKAFMO Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3cccc(Nc4ccnc5cc(Cl)ccc54)c3)n2)cc1 ZINC000066080479 562710756 /nfs/dbraw/zinc/71/07/56/562710756.db2.gz BZWLWISJILFOTL-UHFFFAOYSA-N 1 1 596.139 6.747 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCCCn2cc(CN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066098899 562711031 /nfs/dbraw/zinc/71/10/31/562711031.db2.gz OISSAGDOBVXRAL-JGCGQSQUSA-N 1 1 592.788 5.610 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066102584 562711443 /nfs/dbraw/zinc/71/14/43/562711443.db2.gz FYONRHDEVCYUIG-FMHSGURNSA-N 1 1 565.640 5.695 1 0 KKAFMO CC(C)[N@@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1 ZINC000066136573 562713219 /nfs/dbraw/zinc/71/32/19/562713219.db2.gz AZXCXDZLLRZTNC-UHFFFAOYSA-N 1 1 623.411 5.331 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000066136637 562713270 /nfs/dbraw/zinc/71/32/70/562713270.db2.gz ILXAKKDOMJRPPA-BIALHBOASA-N 1 1 624.562 5.285 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)C3CCCCC3)cccc2C1=O ZINC000066138722 562713339 /nfs/dbraw/zinc/71/33/39/562713339.db2.gz OFNMEGUDOANJDK-IOKPGSKQSA-N 1 1 576.565 5.864 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000066166662 562714116 /nfs/dbraw/zinc/71/41/16/562714116.db2.gz DFSBUGSUDBGGAL-MKGJDZFWSA-N 1 1 611.705 5.916 3 0 KKAFMO C[N@H+]1CCC[C@H](Nc2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258801 562715109 /nfs/dbraw/zinc/71/51/09/562715109.db2.gz UKGUYMZTTOHLED-IBGZPJMESA-N 1 1 565.566 5.764 1 0 KKAFMO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21)[NH2+]C(C)C ZINC000067983875 562715659 /nfs/dbraw/zinc/71/56/59/562715659.db2.gz ONXJAZRYKXKHHC-VRCFYMJQSA-N 1 1 680.934 6.279 1 0 KKAFMO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000068245478 562716072 /nfs/dbraw/zinc/71/60/72/562716072.db2.gz NXIWKVKEGODGND-XMMPIXPASA-N 1 1 622.648 5.317 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000071295372 562717191 /nfs/dbraw/zinc/71/71/91/562717191.db2.gz KQQJDLRHYDOVIR-BWMKXQIXSA-N 1 1 611.812 5.424 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000071295528 562717258 /nfs/dbraw/zinc/71/72/58/562717258.db2.gz IFPACHFGQGQBDX-ULJKERAFSA-N 1 1 601.622 8.084 1 0 KKAFMO CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)[N@@H+](C)Cc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071295547 562717318 /nfs/dbraw/zinc/71/73/18/562717318.db2.gz WOJRPSBNVRDMLF-VRGGLLGESA-N 1 1 576.891 7.246 1 0 KKAFMO CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[N@@H+](Cc4cccc(C(F)(F)F)c4)C3)sc21 ZINC000071329537 562718928 /nfs/dbraw/zinc/71/89/28/562718928.db2.gz ATSWPIVOBKHCEA-QGZVFWFLSA-N 1 1 520.577 5.157 1 0 KKAFMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000071334642 562719632 /nfs/dbraw/zinc/71/96/32/562719632.db2.gz QFGLZVPTFMTCKV-POVALPJUSA-N 1 1 569.061 6.132 1 0 KKAFMO S=C1N=C2C(=Cc3cccc4ccccc34)C[N@H+](Cc3ccccc3)CC2[C@@H](c2cccc3ccccc32)N1 ZINC000071340719 562719824 /nfs/dbraw/zinc/71/98/24/562719824.db2.gz VTNQOZDFITULBB-TYHBVVQBSA-N 1 1 523.705 7.777 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1 ZINC000072105992 562720842 /nfs/dbraw/zinc/72/08/42/562720842.db2.gz UJQKJROWTBACNK-UHFFFAOYSA-N 1 1 548.518 6.097 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCOCC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110253 562721767 /nfs/dbraw/zinc/72/17/67/562721767.db2.gz IWMWZQFRMIWFOR-LXQNXJGFSA-N 1 1 656.258 6.673 1 0 KKAFMO CO[C@@H]1CCN(C(=O)C(C)(C)[C@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)C1 ZINC000072111077 562721866 /nfs/dbraw/zinc/72/18/66/562721866.db2.gz LVSUWBVBTMLPPY-KZMPOHPLSA-N 1 1 670.285 7.062 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072113426 562722395 /nfs/dbraw/zinc/72/23/95/562722395.db2.gz UXNWJLXUFSAETJ-CONSDPRKSA-N 1 1 595.571 6.108 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072114500 562722728 /nfs/dbraw/zinc/72/27/28/562722728.db2.gz MZROSNVGXZXXGE-OYRRYZQQSA-N 1 1 554.779 7.057 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4c5c(c(O)cc4Br)O[C@@H]2[C@]53CC[N@H+]1CC1CC1 ZINC000072122631 562724572 /nfs/dbraw/zinc/72/45/72/562724572.db2.gz SXWDQIUYZZCDCQ-LDFHUFRKSA-N 1 1 546.546 5.176 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(CCCOc3ccc4c(c3)CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@H]43)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000072131651 562726688 /nfs/dbraw/zinc/72/66/88/562726688.db2.gz OODDZBBWARQOSL-MXROCILFSA-N 1 1 702.912 6.036 1 0 KKAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2cccc3ccccc32)CC1 ZINC000072135816 562727582 /nfs/dbraw/zinc/72/75/82/562727582.db2.gz JPYVCINAAAYMTQ-ZOQUJKIFSA-N 1 1 544.659 5.007 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072136698 562728093 /nfs/dbraw/zinc/72/80/93/562728093.db2.gz KBXMRUCREHCPDM-GLBCCIBASA-N 1 1 672.288 6.068 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000072136945 562728245 /nfs/dbraw/zinc/72/82/45/562728245.db2.gz YNDKNWSMOFRSTP-WNQXLSPZSA-N 1 1 680.041 6.331 3 0 KKAFMO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@H+]2C[C@@H]([C@H](C)OC(=O)Nc3ccccc3C)[C@@H](N(C)C(=O)Nc3ccccc3C)C[C@@H]42)c1 ZINC000072137843 562728451 /nfs/dbraw/zinc/72/84/51/562728451.db2.gz NBYLWGXDJSUCQR-POWSVAERSA-N 1 1 655.843 8.849 3 0 KKAFMO Cc1cccc(-c2ccc3[nH]c4c(c3c2)CC[N@@H+]2C[C@@H]([C@H](C)OC(=O)Nc3ccccc3C)[C@@H](N(C)C(=O)Nc3ccccc3C)C[C@@H]42)c1 ZINC000072137843 562728452 /nfs/dbraw/zinc/72/84/52/562728452.db2.gz NBYLWGXDJSUCQR-POWSVAERSA-N 1 1 655.843 8.849 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000072138156 562728667 /nfs/dbraw/zinc/72/86/67/562728667.db2.gz DQMSHBPWTQYHPD-XOCMKLHTSA-N 1 1 690.631 7.202 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072142222 562729479 /nfs/dbraw/zinc/72/94/79/562729479.db2.gz PBMKPKLGLMSGEU-ISCCLHIJSA-N 1 1 589.552 5.142 3 0 KKAFMO C[N@@H+](CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000072147638 562729790 /nfs/dbraw/zinc/72/97/90/562729790.db2.gz JZNNYFOMKMYKHB-RPBOFIJWSA-N 1 1 634.687 5.099 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152653 562730106 /nfs/dbraw/zinc/73/01/06/562730106.db2.gz QYQJQQGVLMAZDD-QHHIVDTJSA-N 1 1 635.648 9.200 3 0 KKAFMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)Cc2ccccc2)c(C)c2c1OC(C)(C)CC2 ZINC000072171937 562730564 /nfs/dbraw/zinc/73/05/64/562730564.db2.gz FVIIJGNEZCACML-KYJUHHDHSA-N 1 1 727.969 5.534 1 0 KKAFMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172079 562730598 /nfs/dbraw/zinc/73/05/98/562730598.db2.gz FTBIWTZHVVOHDN-YTTGMZPUSA-N 1 1 642.673 5.835 1 0 KKAFMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072174804 562731142 /nfs/dbraw/zinc/73/11/42/562731142.db2.gz ZTBIKTXGDOQWOB-NDEPHWFRSA-N 1 1 594.629 5.194 1 0 KKAFMO CCc1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072176097 562731522 /nfs/dbraw/zinc/73/15/22/562731522.db2.gz GRHVPUMKTBLTHK-SSEXGKCCSA-N 1 1 614.619 5.100 1 0 KKAFMO CC1(C)C[C@]2(CCC[N@H+](C3CCN(C(=O)c4c5ccccc5sc4NC(=O)NC4CCCCC4)CC3)C2)C(=O)O1 ZINC000073139494 562733474 /nfs/dbraw/zinc/73/34/74/562733474.db2.gz KFNHIONVGXVTNZ-HKBQPEDESA-N 1 1 566.768 5.768 1 0 KKAFMO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@@H+](CCC)C3Cc4ccccc4C3)cc2OC)nn1 ZINC000073164643 562734316 /nfs/dbraw/zinc/73/43/16/562734316.db2.gz SHGYUZFUKMSIQE-UHFFFAOYSA-N 1 1 561.771 5.488 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@@H]1C)ncnc2Nc1ccc2sc(C(=O)Nc3c(C)cccc3Cl)cc2c1 ZINC000073165323 562734381 /nfs/dbraw/zinc/73/43/81/562734381.db2.gz OOABQHAHAYDPIZ-QFIPXVFZSA-N 1 1 630.214 8.454 1 0 KKAFMO CCOC(=O)Nc1ccc([C@@H](c2ccc(C(=O)N(CC)CC)cc2)[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000073168077 562734700 /nfs/dbraw/zinc/73/47/00/562734700.db2.gz BBOKUHUUNUYCGA-HHHXNRCGSA-N 1 1 535.714 5.101 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073256694 562737022 /nfs/dbraw/zinc/73/70/22/562737022.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 1 1 576.693 7.251 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073256694 562737023 /nfs/dbraw/zinc/73/70/23/562737023.db2.gz ZBDGREIBILVVBE-VSGBNLITSA-N 1 1 576.693 7.251 1 0 KKAFMO O=C(N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000073277449 562737358 /nfs/dbraw/zinc/73/73/58/562737358.db2.gz AKEVWYSMNVSIRA-RUZDIDTESA-N 1 1 511.453 5.116 1 0 KKAFMO CC(C)c1c(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)ccc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000082155562 562740571 /nfs/dbraw/zinc/74/05/71/562740571.db2.gz LAXCAPZKHZORNM-MYHCNICMSA-N 1 1 539.204 7.056 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000082185931 562742341 /nfs/dbraw/zinc/74/23/41/562742341.db2.gz VEYXNSARLJIJRR-IAYPMUAMSA-N 1 1 684.800 7.277 1 0 KKAFMO COc1cc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000084382907 562742892 /nfs/dbraw/zinc/74/28/92/562742892.db2.gz AJCJXSGRPPDWCF-HKBQPEDESA-N 1 1 580.125 5.086 1 0 KKAFMO COc1cc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000084382907 562742893 /nfs/dbraw/zinc/74/28/93/562742893.db2.gz AJCJXSGRPPDWCF-HKBQPEDESA-N 1 1 580.125 5.086 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000084632109 562745452 /nfs/dbraw/zinc/74/54/52/562745452.db2.gz FVBOMFGKCNJCQX-BJKOFHAPSA-N 1 1 575.531 6.986 1 0 KKAFMO COC(=O)[C@@H](CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000084632226 562745459 /nfs/dbraw/zinc/74/54/59/562745459.db2.gz QLDJHSRGZNOSDW-WZFJQBBKSA-N 1 1 568.705 5.683 1 0 KKAFMO CC[NH+](CC)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3cc(Nc4cccc(NC(=O)c5cc(N6CCN(C)CC6)cc(C(F)(F)F)c5)c4)ccc32)c1 ZINC000084652350 562746489 /nfs/dbraw/zinc/74/64/89/562746489.db2.gz QTGGPQXZCLZMSN-VQNDASPWSA-N 1 1 728.820 6.346 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670396 562748296 /nfs/dbraw/zinc/74/82/96/562748296.db2.gz AAUXQGPPOOVWEC-XPLLFBQKSA-N 1 1 702.469 10.206 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670396 562748297 /nfs/dbraw/zinc/74/82/97/562748297.db2.gz AAUXQGPPOOVWEC-XPLLFBQKSA-N 1 1 702.469 10.206 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 ZINC000084672027 562748709 /nfs/dbraw/zinc/74/87/09/562748709.db2.gz RJNLRWBBEUXTKZ-NOXFTYBFSA-N 1 1 596.741 5.314 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000084672027 562748710 /nfs/dbraw/zinc/74/87/10/562748710.db2.gz RJNLRWBBEUXTKZ-NOXFTYBFSA-N 1 1 596.741 5.314 1 0 KKAFMO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([N@@H+](C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000084672027 562748711 /nfs/dbraw/zinc/74/87/11/562748711.db2.gz RJNLRWBBEUXTKZ-NOXFTYBFSA-N 1 1 596.741 5.314 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724582 562751156 /nfs/dbraw/zinc/75/11/56/562751156.db2.gz WNGXMRNNQVTALF-FRCYUFDXSA-N 1 1 599.134 8.246 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084733520 562751882 /nfs/dbraw/zinc/75/18/82/562751882.db2.gz OLGGEMHVMHDMBQ-AHRDRJHTSA-N 1 1 699.254 10.552 1 0 KKAFMO O=C(Nc1nnc(Sc2ncnc3cc(OCCC[NH+]4CCOCC4)ccc32)s1)Nc1cccc(Cl)c1 ZINC000084759235 562752853 /nfs/dbraw/zinc/75/28/53/562752853.db2.gz UCEOKXPWJNVCDA-UHFFFAOYSA-N 1 1 558.089 5.031 1 0 KKAFMO COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884070 562753097 /nfs/dbraw/zinc/75/30/97/562753097.db2.gz DAGRHBYUCYVLNY-URLMMPGGSA-N 1 1 536.503 6.041 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2cc(C[N@H+]3C[C@@H](C)C[C@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@H]5[C@H]6CC=C6C[C@@H](O)CC[C@@]65C)[C@H](C)[C@@H]43)nn2)O[C@@H](C)[C@@H]1OC(C)=O ZINC000095543593 562757376 /nfs/dbraw/zinc/75/73/76/562757376.db2.gz LBLRSQNQCLLDGI-OBNNJVTISA-N 1 1 764.961 5.218 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2cc(C[N@@H+]3C[C@@H](C)C[C@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@H]5[C@H]6CC=C6C[C@@H](O)CC[C@@]65C)[C@H](C)[C@@H]43)nn2)O[C@@H](C)[C@@H]1OC(C)=O ZINC000095543593 562757377 /nfs/dbraw/zinc/75/73/77/562757377.db2.gz LBLRSQNQCLLDGI-OBNNJVTISA-N 1 1 764.961 5.218 1 0 KKAFMO O=c1cc(-c2ccc(OCCOCC[NH+](CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccccc3F)cc2)oc2ccccc12 ZINC000095552678 562760739 /nfs/dbraw/zinc/76/07/39/562760739.db2.gz HRMUMOLZDLNNGX-UHFFFAOYSA-N 1 1 741.812 8.366 1 0 KKAFMO Cc1c(C(=O)NCCC[NH+]2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5cccc(Cl)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555918 562761672 /nfs/dbraw/zinc/76/16/72/562761672.db2.gz RELNUIMSHHSYSY-UHFFFAOYSA-N 1 1 814.884 7.469 1 0 KKAFMO 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)NCc1ccc(Cl)cc1 ZINC000095557298 562762074 /nfs/dbraw/zinc/76/20/74/562762074.db2.gz BCYHNZOREOSEDC-QJKWIJLYSA-N 1 1 648.244 7.219 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095564831 562764441 /nfs/dbraw/zinc/76/44/41/562764441.db2.gz NLDQNXPJJNOIIK-UNTHUGQZSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3cccc4ccccc43)cccc2C1=O ZINC000095564714 562764453 /nfs/dbraw/zinc/76/44/53/562764453.db2.gz APCAUJZEWHRTOX-DFSMTXOASA-N 1 1 658.799 7.628 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095565613 562764642 /nfs/dbraw/zinc/76/46/42/562764642.db2.gz DHPIXDXHWYRYQT-JLELKNTQSA-N 1 1 573.738 5.286 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Cc4ccccc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095566605 562765157 /nfs/dbraw/zinc/76/51/57/562765157.db2.gz PBMGKXVNCBHHBJ-DJWGBOQKSA-N 1 1 645.841 5.804 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095566774 562765252 /nfs/dbraw/zinc/76/52/52/562765252.db2.gz NGQWRAJVXVPGQM-YHJOQWEYSA-N 1 1 668.770 5.656 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095566974 562765401 /nfs/dbraw/zinc/76/54/01/562765401.db2.gz NVPPLKXTBFJQBP-HNMNOHOESA-N 1 1 599.559 5.918 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095567007 562765420 /nfs/dbraw/zinc/76/54/20/562765420.db2.gz MGXDQALVEHELJP-HNMNOHOESA-N 1 1 620.599 5.455 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567012 562765442 /nfs/dbraw/zinc/76/54/42/562765442.db2.gz CMAOMNSLQLVSHG-YBBGPBPVSA-N 1 1 636.715 5.730 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095567302 562765680 /nfs/dbraw/zinc/76/56/80/562765680.db2.gz XHCFGJIATIGRMD-PHLCOOFXSA-N 1 1 650.780 5.517 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567349 562765739 /nfs/dbraw/zinc/76/57/39/562765739.db2.gz YKJQWERUMMRZAT-KMRPOYNRSA-N 1 1 642.800 7.503 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095567380 562765756 /nfs/dbraw/zinc/76/57/56/562765756.db2.gz FWVAKXQBYKQOPH-URCPOSBSSA-N 1 1 629.585 5.927 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095567720 562766001 /nfs/dbraw/zinc/76/60/01/562766001.db2.gz APLMONIUGAOYQF-ILLIAVPXSA-N 1 1 629.541 5.718 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567776 562766057 /nfs/dbraw/zinc/76/60/57/562766057.db2.gz NLDQNXPJJNOIIK-VJQVOXFUSA-N 1 1 578.713 5.353 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O ZINC000095568098 562766358 /nfs/dbraw/zinc/76/63/58/562766358.db2.gz CMLTYIJXOZVOLL-TVUFSCHNSA-N 1 1 612.815 6.089 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568262 562766430 /nfs/dbraw/zinc/76/64/30/562766430.db2.gz ZMUNMDKTHUEIDP-AZAGJHQNSA-N 1 1 645.797 5.575 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568382 562766571 /nfs/dbraw/zinc/76/65/71/562766571.db2.gz DEMCBGNJFOTASI-IKDMDFKBSA-N 1 1 638.589 5.214 1 0 KKAFMO 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)Nc3cccc4ccccc43)cc2C1=O ZINC000095568462 562766690 /nfs/dbraw/zinc/76/66/90/562766690.db2.gz IOGICXGLCRDSGV-ONVRQXBLSA-N 1 1 734.860 8.430 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568663 562766798 /nfs/dbraw/zinc/76/67/98/562766798.db2.gz GJYWPGQZJRIMRE-TVMHKENRSA-N 1 1 649.877 5.458 1 0 KKAFMO 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)C3CCCCC3)cc2C1=O ZINC000095568718 562766835 /nfs/dbraw/zinc/76/68/35/562766835.db2.gz RGDWZLATWUCGFS-DOKVQHETSA-N 1 1 675.833 7.152 1 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568831 562766966 /nfs/dbraw/zinc/76/69/66/562766966.db2.gz KPWIEHUIZOJQLP-JCGBMYGUSA-N 1 1 680.806 5.526 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095569133 562767155 /nfs/dbraw/zinc/76/71/55/562767155.db2.gz KMMQDOVCDINFEJ-KXLVQTRWSA-N 1 1 657.833 5.869 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569135 562767176 /nfs/dbraw/zinc/76/71/76/562767176.db2.gz VBZIQFOBKDVEDH-HQPLKVBUSA-N 1 1 714.058 6.528 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095569300 562767328 /nfs/dbraw/zinc/76/73/28/562767328.db2.gz QQBXNGROOKAAKB-BVXAZASISA-N 1 1 669.745 5.083 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569278 562767337 /nfs/dbraw/zinc/76/73/37/562767337.db2.gz DUJVVSYLOOHDFD-XLCATFGMSA-N 1 1 643.806 5.515 1 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095569332 562767345 /nfs/dbraw/zinc/76/73/45/562767345.db2.gz KPWIEHUIZOJQLP-RDXDNIQESA-N 1 1 680.806 5.526 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569386 562767383 /nfs/dbraw/zinc/76/73/83/562767383.db2.gz YLCYRDPZGWCEPF-ACHOWJBZSA-N 1 1 631.770 5.646 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569511 562767504 /nfs/dbraw/zinc/76/75/04/562767504.db2.gz HCIBUZGQUWCBJD-YZIHRLCOSA-N 1 1 564.752 5.281 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569950 562767813 /nfs/dbraw/zinc/76/78/13/562767813.db2.gz JQXCVRFSCSGTFT-DGIFUFQNSA-N 1 1 634.626 5.384 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095570046 562767849 /nfs/dbraw/zinc/76/78/49/562767849.db2.gz VFODUGZKJXJXBF-HSHANODTSA-N 1 1 658.843 6.308 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570112 562767897 /nfs/dbraw/zinc/76/78/97/562767897.db2.gz YUKCNNACWFASQX-HIRWGAFWSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570105 562767925 /nfs/dbraw/zinc/76/79/25/562767925.db2.gz FIGGLCUVZRSRTI-QXULMBECSA-N 1 1 735.926 6.870 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095570256 562768000 /nfs/dbraw/zinc/76/80/00/562768000.db2.gz IXNRSUPNSZLJQC-DVEXYGBFSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095570522 562768257 /nfs/dbraw/zinc/76/82/57/562768257.db2.gz GJYWPGQZJRIMRE-HKQNKLGGSA-N 1 1 649.877 5.458 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095570684 562768352 /nfs/dbraw/zinc/76/83/52/562768352.db2.gz YUYBEPSVBUXRNH-LFINAOHFSA-N 1 1 715.719 7.574 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095570796 562768473 /nfs/dbraw/zinc/76/84/73/562768473.db2.gz HMCLAGFKTYIJCB-YHJOQWEYSA-N 1 1 648.726 6.784 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095570923 562768628 /nfs/dbraw/zinc/76/86/28/562768628.db2.gz BCUCLIMAYGDMQB-YJYIJQSESA-N 1 1 682.797 5.585 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095571066 562768736 /nfs/dbraw/zinc/76/87/36/562768736.db2.gz ACMKWYMGGGFAOB-BCDQWZCSSA-N 1 1 602.629 5.841 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095571091 562768809 /nfs/dbraw/zinc/76/88/09/562768809.db2.gz ATQDNBRWFQIESM-RNDKRWLGSA-N 1 1 647.769 5.771 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095571091 562768810 /nfs/dbraw/zinc/76/88/10/562768810.db2.gz ATQDNBRWFQIESM-RNDKRWLGSA-N 1 1 647.769 5.771 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095571161 562768836 /nfs/dbraw/zinc/76/88/36/562768836.db2.gz TWOWYTAAZQEFAQ-PNRGXICFSA-N 1 1 634.802 6.568 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571195 562768844 /nfs/dbraw/zinc/76/88/44/562768844.db2.gz GHZMXVOCHVGOQG-RCXVBCEZSA-N 1 1 635.850 5.529 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095571217 562768890 /nfs/dbraw/zinc/76/88/90/562768890.db2.gz DOYVPIVJJALYPS-QLVXXPONSA-N 1 1 604.714 6.011 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095571375 562769006 /nfs/dbraw/zinc/76/90/06/562769006.db2.gz PKQAAOKAAVIVOG-XFBASLRHSA-N 1 1 694.789 5.246 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000095588647 562774696 /nfs/dbraw/zinc/77/46/96/562774696.db2.gz NFSRNRJGVTYUJX-UHFFFAOYSA-N 1 1 585.793 7.100 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2[nH+]ccn2Cc2ccc(-c3ccc(Cl)cc3)cc2)c2c1CCC2 ZINC000095590822 562775380 /nfs/dbraw/zinc/77/53/80/562775380.db2.gz BILRHSMJFPFKAU-UHFFFAOYSA-N 1 1 557.094 6.777 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095591063 562775475 /nfs/dbraw/zinc/77/54/75/562775475.db2.gz RKPVMOHMGFALAI-UHFFFAOYSA-N 1 1 581.639 7.282 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095591355 562775631 /nfs/dbraw/zinc/77/56/31/562775631.db2.gz KTDLKOVVFMBNMC-UHFFFAOYSA-N 1 1 601.703 6.559 1 0 KKAFMO C[NH+](C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4sc([C@@H](O)C(F)(F)F)cc4c3)[nH]2)cc1 ZINC000095591563 562775655 /nfs/dbraw/zinc/77/56/55/562775655.db2.gz RAAVZRCTBRDFFN-AREMUKBSSA-N 1 1 538.595 6.557 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095592461 562775963 /nfs/dbraw/zinc/77/59/63/562775963.db2.gz KZKXNMSTYPBCPG-UHFFFAOYSA-N 1 1 595.666 7.672 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598787 562777563 /nfs/dbraw/zinc/77/75/63/562777563.db2.gz ZBBNPLMVFVREHD-FOWIORFYSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095598944 562777654 /nfs/dbraw/zinc/77/76/54/562777654.db2.gz RIKKTKCVINKHQI-HQLBTAIYSA-N 1 1 667.556 6.937 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599585 562778178 /nfs/dbraw/zinc/77/81/78/562778178.db2.gz ZBBNPLMVFVREHD-GTZOPPDQSA-N 1 1 719.867 6.742 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095599646 562778237 /nfs/dbraw/zinc/77/82/37/562778237.db2.gz VEYXNSARLJIJRR-BWLKTWDLSA-N 1 1 684.800 7.277 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)O3)cc1 ZINC000095599687 562778283 /nfs/dbraw/zinc/77/82/83/562778283.db2.gz HIKKVCQPDRGGEN-RIKJNLPISA-N 1 1 673.917 5.804 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599759 562778321 /nfs/dbraw/zinc/77/83/21/562778321.db2.gz RBOAJFBNHJWMOW-GAIIXZKLSA-N 1 1 684.800 7.277 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095600003 562778518 /nfs/dbraw/zinc/77/85/18/562778518.db2.gz XGMQKVJTWVADHD-WMBRHFINSA-N 1 1 714.826 7.286 1 0 KKAFMO 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)c3ccncc3)cc2C1=O ZINC000095600062 562778551 /nfs/dbraw/zinc/77/85/51/562778551.db2.gz ULSHRNFHFOMVNH-DWAIMSSFSA-N 1 1 670.773 6.280 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095600302 562778823 /nfs/dbraw/zinc/77/88/23/562778823.db2.gz DWBBIMOOPOSMMP-IKDMDFKBSA-N 1 1 617.549 6.058 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600601 562779011 /nfs/dbraw/zinc/77/90/11/562779011.db2.gz PEUKOTPXCYQHOA-ZUDLYUOYSA-N 1 1 690.848 7.657 1 0 KKAFMO 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)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095600665 562779117 /nfs/dbraw/zinc/77/91/17/562779117.db2.gz WRYGCPSZOBAIIH-LVDDARDMSA-N 1 1 728.809 7.006 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095600716 562779141 /nfs/dbraw/zinc/77/91/41/562779141.db2.gz XHCFGJIATIGRMD-WTBTXGFSSA-N 1 1 650.780 5.517 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095600890 562779321 /nfs/dbraw/zinc/77/93/21/562779321.db2.gz CHFYKRHHVBHPRB-GJWZSCNASA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600967 562779349 /nfs/dbraw/zinc/77/93/49/562779349.db2.gz KBXMRUCREHCPDM-ZUDLYUOYSA-N 1 1 672.288 6.068 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095601236 562779457 /nfs/dbraw/zinc/77/94/57/562779457.db2.gz PIPSXTOHKBCCEO-GAQVVXLESA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601612 562779696 /nfs/dbraw/zinc/77/96/96/562779696.db2.gz BXFZIXJRVHHTCE-WYOWBBOASA-N 1 1 678.336 6.448 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc4c(c2)OCO4)OCCCC[C@@H](C)O3)cc1 ZINC000095602071 562779890 /nfs/dbraw/zinc/77/98/90/562779890.db2.gz AXBDLHZRWNTTPP-IEPUYCOHSA-N 1 1 695.879 5.452 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3ncnc4ccc(-c5cccc(C[NH+]6CCOCC6)c5)cc43)cc2Cl)c1 ZINC000095602171 562779931 /nfs/dbraw/zinc/77/99/31/562779931.db2.gz JQNXFTBEDCURJV-UHFFFAOYSA-N 1 1 555.053 7.244 1 0 KKAFMO C[N@@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000095602142 562779959 /nfs/dbraw/zinc/77/99/59/562779959.db2.gz IBBSWJLETJHCAU-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[N@H+]1CCCN(S(=O)(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000095602142 562779960 /nfs/dbraw/zinc/77/99/60/562779960.db2.gz IBBSWJLETJHCAU-UHFFFAOYSA-N 1 1 632.161 6.738 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604071 562780798 /nfs/dbraw/zinc/78/07/98/562780798.db2.gz XMCNJBIDJBGVOV-LFSBMLFJSA-N 1 1 716.297 5.797 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095604037 562780801 /nfs/dbraw/zinc/78/08/01/562780801.db2.gz CHFYKRHHVBHPRB-DLVGFNCXSA-N 1 1 685.693 7.565 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095604022 562780837 /nfs/dbraw/zinc/78/08/37/562780837.db2.gz PIPSXTOHKBCCEO-BEAGFIRGSA-N 1 1 702.790 7.416 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095604101 562780883 /nfs/dbraw/zinc/78/08/83/562780883.db2.gz ORCUQVZUTYUDHO-VKIDHGPPSA-N 1 1 585.532 5.990 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O ZINC000095604827 562781232 /nfs/dbraw/zinc/78/12/32/562781232.db2.gz QWTHGLUFUCUWTA-RLJUXYCZSA-N 1 1 684.705 7.102 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095605741 562781716 /nfs/dbraw/zinc/78/17/16/562781716.db2.gz PIPSXTOHKBCCEO-FXKJGQKXSA-N 1 1 702.790 7.416 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@@H+](C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000095611025 562784774 /nfs/dbraw/zinc/78/47/74/562784774.db2.gz RDKQAVZIXBHKDK-QNGWXLTQSA-N 1 1 804.921 9.361 1 0 KKAFMO COc1cc2c(cc1OCCCCC[NH+]1CCN(CCCCCOc3cc4c(cc3OC)C(=O)N3C[C@@H](F)C[C@H]3C=N4)CC1)N=C[C@@H]1C[C@@H](F)CN1C2=O ZINC000095615983 562787687 /nfs/dbraw/zinc/78/76/87/562787687.db2.gz KMALZPASESRBSO-XJYHXZFBSA-N 1 1 750.888 5.657 1 0 KKAFMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5COC6(CCOCC6)N5C(=O)OCc5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000095627830 562788071 /nfs/dbraw/zinc/78/80/71/562788071.db2.gz JPCPSCQDMJHICG-WTQYMLSTSA-N 1 1 791.953 8.317 1 0 KKAFMO CCNc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670079 562788222 /nfs/dbraw/zinc/78/82/22/562788222.db2.gz IWYTUWMBDRWLJL-IGKIAQTJSA-N 1 1 502.577 6.019 1 0 KKAFMO COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@@H+](Cc1ccccc1Cl)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680512 562788384 /nfs/dbraw/zinc/78/83/84/562788384.db2.gz SOQATTOXXPOAEE-NPKFRGRUSA-N 1 1 595.140 5.999 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ncc(-c3ccncc3)cc2C1=O ZINC000095703545 562788617 /nfs/dbraw/zinc/78/86/17/562788617.db2.gz SEUAKNKWNUNSGP-OXYPMYLPSA-N 1 1 552.675 5.288 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095771783 562788964 /nfs/dbraw/zinc/78/89/64/562788964.db2.gz BGHRQJUTYMMBFS-DOBRQBTGSA-N 1 1 564.726 6.636 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095820730 562789199 /nfs/dbraw/zinc/78/91/99/562789199.db2.gz VLABVJXETLVVIO-SYZUXVNWSA-N 1 1 554.707 5.131 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095818867 562789226 /nfs/dbraw/zinc/78/92/26/562789226.db2.gz DJCIIHJEQUSOOT-OBFUEJMCSA-N 1 1 703.803 6.882 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095836258 562789417 /nfs/dbraw/zinc/78/94/17/562789417.db2.gz CHJXKWAEWBFEIT-WOGZVKCMSA-N 1 1 628.751 5.143 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095846713 562789475 /nfs/dbraw/zinc/78/94/75/562789475.db2.gz NHGHJDDGJPIKGB-NOMHHCBYSA-N 1 1 590.687 5.512 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095857344 562789670 /nfs/dbraw/zinc/78/96/70/562789670.db2.gz AYYGMCZSFFREOB-AWYDNWMNSA-N 1 1 659.805 5.640 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869146 562789991 /nfs/dbraw/zinc/78/99/91/562789991.db2.gz GFQKDUOYURHVMT-DUELTEGESA-N 1 1 543.683 5.474 1 0 KKAFMO Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)C4CC[NH2+]CC4)cc3)nc12 ZINC000096167820 562790641 /nfs/dbraw/zinc/79/06/41/562790641.db2.gz BJEOXCACVHKFHQ-UHFFFAOYSA-N 1 1 544.464 5.282 1 0 KKAFMO CS(=O)(=O)CC[N@@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5Cl)cccn4n3)cc2CC1 ZINC000096169773 562790851 /nfs/dbraw/zinc/79/08/51/562790851.db2.gz XKAQVMPWGGIKDK-UHFFFAOYSA-N 1 1 564.033 5.257 1 0 KKAFMO CS(=O)(=O)CC[N@H+]1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5Cl)cccn4n3)cc2CC1 ZINC000096169773 562790852 /nfs/dbraw/zinc/79/08/52/562790852.db2.gz XKAQVMPWGGIKDK-UHFFFAOYSA-N 1 1 564.033 5.257 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[C@@H]([N@@H+](C)CCC(F)(F)F)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)c(C)c2)n1 ZINC000096175694 562791848 /nfs/dbraw/zinc/79/18/48/562791848.db2.gz DCPHWMWWDPFCSD-AYRHNUGRSA-N 1 1 624.098 6.968 1 0 KKAFMO COCC[N@H+]1CC[C@@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175758 562792016 /nfs/dbraw/zinc/79/20/16/562792016.db2.gz KEQFQZOUNFMJHA-HSZRJFAPSA-N 1 1 661.829 5.442 1 0 KKAFMO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CC[N@@H+](C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175745 562792023 /nfs/dbraw/zinc/79/20/23/562792023.db2.gz LOANICCBOIOMOJ-UHFFFAOYSA-N 1 1 629.787 5.726 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(-c2cnc(Nc3ccccc3)n(C)c2=O)cc1F ZINC000096270750 562793369 /nfs/dbraw/zinc/79/33/69/562793369.db2.gz PZNFSAHEDPJDOW-UHFFFAOYSA-N 1 1 611.674 5.780 1 0 KKAFMO Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CC[N@@H+](C2CCCCC2)C3)cc2c[nH]nc21 ZINC000096284742 562795330 /nfs/dbraw/zinc/79/53/30/562795330.db2.gz AMWSJQSAVVUQOG-MGBGTMOVSA-N 1 1 633.797 6.358 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000096302085 562796231 /nfs/dbraw/zinc/79/62/31/562796231.db2.gz INTDOQGZDPJUHG-UFZHQWOOSA-N 1 1 622.801 6.565 1 0 KKAFMO CCCS(=O)(=O)NCc1ccccc1C1(O)CC[NH+](C(c2ccccc2Cl)c2ccccc2Cl)CC1 ZINC000096318637 562796540 /nfs/dbraw/zinc/79/65/40/562796540.db2.gz NKLVQUALJNHRQC-UHFFFAOYSA-N 1 1 547.548 5.896 1 0 KKAFMO 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)N(C)CC4 ZINC000096900473 562796904 /nfs/dbraw/zinc/79/69/04/562796904.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 1 1 747.288 9.026 1 0 KKAFMO 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)N(C)CC4 ZINC000096900473 562796905 /nfs/dbraw/zinc/79/69/05/562796905.db2.gz JUIKZWZBNNLTFR-OIDHKYIRSA-N 1 1 747.288 9.026 1 0 KKAFMO CCCN(c1nccc(C(F)(F)F)n1)C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903319 562797899 /nfs/dbraw/zinc/79/78/99/562797899.db2.gz DGKVXHKWDZKIDE-HUROMRQRSA-N 1 1 591.694 5.674 1 0 KKAFMO CCn1nc(Cc2ccc(F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903990 562798089 /nfs/dbraw/zinc/79/80/89/562798089.db2.gz SUWLMLOCAPXBKA-HMQVCXRFSA-N 1 1 604.786 6.701 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907737 562799187 /nfs/dbraw/zinc/79/91/87/562799187.db2.gz IZDKLOCKHFWMCL-BNHRFMORSA-N 1 1 588.546 5.445 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907738 562799210 /nfs/dbraw/zinc/79/92/10/562799210.db2.gz IZDKLOCKHFWMCL-NRUKRWIHSA-N 1 1 588.546 5.445 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@@H+](C)C(C)(C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908701 562799443 /nfs/dbraw/zinc/79/94/43/562799443.db2.gz LCCCYUDWOIWMBN-SSWZFYISSA-N 1 1 668.735 7.168 1 0 KKAFMO COc1cc(C(=O)N[C@H](C[N@H+]2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cc(C)ccc1O ZINC000096909591 562799658 /nfs/dbraw/zinc/79/96/58/562799658.db2.gz PGYWNPFFRWTCDQ-BKMJKUGQSA-N 1 1 533.669 5.172 1 0 KKAFMO COc1ccc(Cc2nc(-c3cc(Br)c(OCCC[NH+]4CCOCC4)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921937 562801559 /nfs/dbraw/zinc/80/15/59/562801559.db2.gz SQJVJCSXGWSIER-UHFFFAOYSA-N 1 1 672.212 5.425 1 0 KKAFMO CCC[N@@H+](CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000096923599 562802156 /nfs/dbraw/zinc/80/21/56/562802156.db2.gz HBJAUIGRDDZSRE-PMERELPUSA-N 1 1 600.751 5.898 1 0 KKAFMO COc1ccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c2)c(OC)c1 ZINC000096932315 562803372 /nfs/dbraw/zinc/80/33/72/562803372.db2.gz RKMBQTNHLAZKFK-UHFFFAOYSA-N 1 1 668.722 6.607 1 0 KKAFMO c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(OCC[NH+]2CCOCC2)c(-c2ccccc2)c1 ZINC000096940296 562804945 /nfs/dbraw/zinc/80/49/45/562804945.db2.gz TYFKXTRILDZUEX-UHFFFAOYSA-N 1 1 544.699 6.589 1 0 KKAFMO CCc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(C)=O)C2 ZINC000100076323 562806582 /nfs/dbraw/zinc/80/65/82/562806582.db2.gz WJVLXNIJJXIXEY-RLPLKTQASA-N 1 1 568.766 5.955 1 0 KKAFMO CCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(c2ccccc2)c2ccccc2)cc1 ZINC000100855504 562808262 /nfs/dbraw/zinc/80/82/62/562808262.db2.gz VKGLRQAYZIPUIR-OMLVWGSCSA-N 1 1 557.782 8.134 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101138838 562809415 /nfs/dbraw/zinc/80/94/15/562809415.db2.gz JUXBGMCJLYWPSS-KUMHGWDASA-N 1 1 500.691 6.315 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000101161490 562809545 /nfs/dbraw/zinc/80/95/45/562809545.db2.gz LCJYASMACJYXNP-LNWKWYTESA-N 1 1 521.109 6.660 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193591 562809933 /nfs/dbraw/zinc/80/99/33/562809933.db2.gz PJUZFIMJBIWYQW-RCFASBGUSA-N 1 1 590.812 7.379 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000101445448 562810731 /nfs/dbraw/zinc/81/07/31/562810731.db2.gz WXERQXIYWWWCKN-PKQPGRETSA-N 1 1 507.682 6.950 1 0 KKAFMO COc1ccc(NC(=O)N(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 ZINC000101446673 562810777 /nfs/dbraw/zinc/81/07/77/562810777.db2.gz YZLDUGXGQUKXQJ-UQWUFBTJSA-N 1 1 516.690 6.015 1 0 KKAFMO C[N@H+]1CCC[C@H]1CCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696129 562811748 /nfs/dbraw/zinc/81/17/48/562811748.db2.gz JKABQKSBPGSKAQ-QFIPXVFZSA-N 1 1 596.753 5.677 1 0 KKAFMO CN1CCC[N@@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696148 562811770 /nfs/dbraw/zinc/81/17/70/562811770.db2.gz DLYBSWKXVUNDGY-UHFFFAOYSA-N 1 1 596.753 5.631 1 0 KKAFMO C[N@@H+]1CCCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696148 562811771 /nfs/dbraw/zinc/81/17/71/562811771.db2.gz DLYBSWKXVUNDGY-UHFFFAOYSA-N 1 1 596.753 5.631 1 0 KKAFMO C[N@H+]1CCCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696148 562811772 /nfs/dbraw/zinc/81/17/72/562811772.db2.gz DLYBSWKXVUNDGY-UHFFFAOYSA-N 1 1 596.753 5.631 1 0 KKAFMO C[NH+](C)CC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc32)c2sc3ccccc3c21 ZINC000101696312 562811826 /nfs/dbraw/zinc/81/18/26/562811826.db2.gz VBWLEJWWMNWOLQ-UHFFFAOYSA-N 1 1 513.619 5.165 1 0 KKAFMO C[NH+]1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696247 562811838 /nfs/dbraw/zinc/81/18/38/562811838.db2.gz SECMQIPLSAXOJP-UHFFFAOYSA-N 1 1 582.726 5.241 1 0 KKAFMO C[N@H+]1CCCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696524 562811963 /nfs/dbraw/zinc/81/19/63/562811963.db2.gz RWCOEHUIEYKOMU-UHFFFAOYSA-N 1 1 582.726 5.241 1 0 KKAFMO O=c1c(=O)c(NCCCNc2cc[nH+]c3cc(Cl)ccc23)c1NCCCNc1ccnc2cc(Cl)ccc21 ZINC000101702647 562812013 /nfs/dbraw/zinc/81/20/13/562812013.db2.gz YHBIKUKAZSROFA-UHFFFAOYSA-N 1 1 549.462 5.514 1 0 KKAFMO CC(C)n1c2ccccc2cc(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCCCC[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000101756265 562812067 /nfs/dbraw/zinc/81/20/67/562812067.db2.gz OTWJCQNGXQUBEK-IFBCEJQISA-N 1 1 597.848 6.080 1 0 KKAFMO Cc1nc2ccncc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224990 562817628 /nfs/dbraw/zinc/81/76/28/562817628.db2.gz KUYHSTQINAUJNF-XDZXDJIYSA-N 1 1 529.710 5.060 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225799 562817795 /nfs/dbraw/zinc/81/77/95/562817795.db2.gz WFRWQETYSFTMTJ-OWWCKCFISA-N 1 1 535.758 5.204 1 0 KKAFMO O=C(NCCCCCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1 ZINC000103236329 562818871 /nfs/dbraw/zinc/81/88/71/562818871.db2.gz WGICSWBOKQEJQV-KKYAJHDNSA-N 1 1 630.576 6.244 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1ccncc1)C2 ZINC000103239097 562819247 /nfs/dbraw/zinc/81/92/47/562819247.db2.gz PHCFRSQWJBBONG-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000103239097 562819248 /nfs/dbraw/zinc/81/92/48/562819248.db2.gz PHCFRSQWJBBONG-UHFFFAOYSA-N 1 1 535.526 6.370 1 0 KKAFMO CC(C)(C)CC[N@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239082 562819254 /nfs/dbraw/zinc/81/92/54/562819254.db2.gz CYVNFPFWQDJUSR-UHFFFAOYSA-N 1 1 528.575 7.211 1 0 KKAFMO CC(C)C[N@H+]1CCc2c(cccc2Oc2ncccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000103239066 562819257 /nfs/dbraw/zinc/81/92/57/562819257.db2.gz WCFRBYYXLPOTLD-UHFFFAOYSA-N 1 1 500.521 6.431 1 0 KKAFMO Cc1cnc(Nc2ccc(C(=O)Nc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2)nc1-c1ccc(OC(F)(F)F)cc1 ZINC000103241196 562819552 /nfs/dbraw/zinc/81/95/52/562819552.db2.gz YKMMHHMQPMVYSR-UHFFFAOYSA-N 1 1 576.623 6.094 1 0 KKAFMO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCCCC[N@@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241416 562819585 /nfs/dbraw/zinc/81/95/85/562819585.db2.gz NTMNIVKKJBSBFN-UHFFFAOYSA-N 1 1 540.748 8.158 1 0 KKAFMO CN(C)c1ccc(-c2cc(=O)c3ccc(OCCCCCCCC[N@@H+](C)Cc4ccccc4)cc3o2)cc1 ZINC000103241406 562819596 /nfs/dbraw/zinc/81/95/96/562819596.db2.gz AKWAHKJJXBYPRC-UHFFFAOYSA-N 1 1 512.694 7.377 1 0 KKAFMO CC[N@@H+](CCCCCCOc1cc(=O)c2c(O)c(-c3ccc(O)cc3)coc-2c1)Cc1ccccc1OC ZINC000103251936 562820387 /nfs/dbraw/zinc/82/03/87/562820387.db2.gz ONQKJLHUNHPZMA-UHFFFAOYSA-N 1 1 517.622 6.341 1 0 KKAFMO Nc1ccc(S(=O)(=O)N(CCCN2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccs2)cc1 ZINC000103276508 562823235 /nfs/dbraw/zinc/82/32/35/562823235.db2.gz LKXYQODLIOJNJJ-MUUNZHRXSA-N 1 1 582.195 5.371 1 0 KKAFMO OC[C@H](O)C[N@H+]1[C@@H](CCc2ccc(-c3ccccc3)cc2)CCC[C@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000103297277 562824610 /nfs/dbraw/zinc/82/46/10/562824610.db2.gz OXQNPKNPAXQQDM-ZTJXOPACSA-N 1 1 519.729 7.162 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000114034851 562826931 /nfs/dbraw/zinc/82/69/31/562826931.db2.gz DVZXDVSCYLZEEK-UHFFFAOYSA-N 1 1 530.043 7.375 1 0 KKAFMO [NH3+][C@@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114035871 562827034 /nfs/dbraw/zinc/82/70/34/562827034.db2.gz XCIFPBRCAMMOCR-LJQANCHMSA-N 1 1 532.019 6.059 1 0 KKAFMO C[NH+](C)[C@H]1CCN(c2ccc(Nc3c4cc(-c5cc(F)c(O)c(Cl)c5)ccc4ncc3S(C)(=O)=O)cn2)C1 ZINC000114036065 562827039 /nfs/dbraw/zinc/82/70/39/562827039.db2.gz RPSPACNZMNRZFL-IBGZPJMESA-N 1 1 556.063 5.082 1 0 KKAFMO [NH3+][C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038112 562827266 /nfs/dbraw/zinc/82/72/66/562827266.db2.gz DUCVDAMLKWEHIL-SFHVURJKSA-N 1 1 517.992 5.669 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1)C1CC1 ZINC000114037761 562827280 /nfs/dbraw/zinc/82/72/80/562827280.db2.gz KGJSFCMUCCJIAX-UHFFFAOYSA-N 1 1 517.992 5.541 1 0 KKAFMO CC(C)C(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)nc1 ZINC000114039015 562827366 /nfs/dbraw/zinc/82/73/66/562827366.db2.gz VMHPJKQELDQLOV-UHFFFAOYSA-N 1 1 520.008 5.787 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000114097672 562827581 /nfs/dbraw/zinc/82/75/81/562827581.db2.gz OBQBEDFGLFICRM-HSZRJFAPSA-N 1 1 500.083 5.074 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2N(C)CC3)C1 ZINC000114101018 562827767 /nfs/dbraw/zinc/82/77/67/562827767.db2.gz IQTYJAHMASNGFY-AREMUKBSSA-N 1 1 510.122 5.554 1 0 KKAFMO Cc1cc(F)c(C(=O)N[C@H]2C/C=C/CCC(=O)Nc3cc(NC(=O)OCC[NH+](C)C)ccc3-c3nc2[nH]c3Cl)c(F)c1 ZINC000114230251 562827936 /nfs/dbraw/zinc/82/79/36/562827936.db2.gz RRVKMGRUSPIOBO-FNEOHHHZSA-N 1 1 601.054 5.577 1 0 KKAFMO CCCC(=O)Nc1cccc(-c2nc3ccc(OCC[N@H+]4CC[C@@H](O)C4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755816 562828439 /nfs/dbraw/zinc/82/84/39/562828439.db2.gz YFIAGILPWYUJOO-XMMPIXPASA-N 1 1 551.651 5.101 1 0 KKAFMO C[NH2+][C@H](CS(C)(=O)=O)c1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000115944066 562829093 /nfs/dbraw/zinc/82/90/93/562829093.db2.gz UIKHYQLSZPHCKO-RUZDIDTESA-N 1 1 581.069 6.310 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118788937 562830558 /nfs/dbraw/zinc/83/05/58/562830558.db2.gz OXJJQMUURYIRHE-MHHVZENASA-N 1 1 590.164 6.430 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)[NH+]3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118788940 562830561 /nfs/dbraw/zinc/83/05/61/562830561.db2.gz OXJJQMUURYIRHE-CYUPURTHSA-N 1 1 590.164 6.430 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCC[N@@H+](C)C3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789668 562830581 /nfs/dbraw/zinc/83/05/81/562830581.db2.gz FMWULHHMNFVCEP-JJJRTKIYSA-N 1 1 576.181 6.983 1 0 KKAFMO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)CN3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118799868 562830703 /nfs/dbraw/zinc/83/07/03/562830703.db2.gz FOWSNFVTTAEKAG-AOXBRHMESA-N 1 1 590.208 6.944 1 0 KKAFMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136115 562831739 /nfs/dbraw/zinc/83/17/39/562831739.db2.gz JBJSKPUOTJATRE-QHCPKHFHSA-N 1 1 509.931 5.291 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138529001 562832063 /nfs/dbraw/zinc/83/20/63/562832063.db2.gz UOYHHUKUSBEJQM-FDFHNCONSA-N 1 1 537.919 5.933 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](CCCNC(=O)c2sc3ccccc3c2Cl)C1 ZINC000138610549 562832078 /nfs/dbraw/zinc/83/20/78/562832078.db2.gz YFJABXWNYRHAQJ-RBPYYZBISA-N 1 1 621.074 8.083 1 0 KKAFMO O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2cccc3cccnc32)C1 ZINC000138611339 562832087 /nfs/dbraw/zinc/83/20/87/562832087.db2.gz LCLZHEAWGYJZLV-BZUDVJPZSA-N 1 1 617.643 6.312 1 0 KKAFMO CCN1CC[NH+]([C@H]2CCc3cc(C(=O)Nc4ccc(C)c(Nc5nccc(-c6cccnc6)n5)c4)ccc32)CC1 ZINC000138929115 562832279 /nfs/dbraw/zinc/83/22/79/562832279.db2.gz JVGNHFZOVWJKER-PMERELPUSA-N 1 1 533.680 5.468 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CCC[N@H+](C3CCOCC3)C2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1Cl)CC2 ZINC000143086974 562834572 /nfs/dbraw/zinc/83/45/72/562834572.db2.gz IGPIEMLVXSGTAA-QHCPKHFHSA-N 1 1 628.177 5.422 1 0 KKAFMO C[N@H+]1CCC[C@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143506839 562835081 /nfs/dbraw/zinc/83/50/81/562835081.db2.gz LFKAYWNVUDQMMN-ZETCQYMHSA-N 1 1 559.926 5.509 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2cccc(C=Cc3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)c2)C[C@H](C)O1 ZINC000144981166 562836782 /nfs/dbraw/zinc/83/67/82/562836782.db2.gz AXZZLIJZGQLQEJ-WKNQAKRMSA-N 1 1 504.634 5.720 1 0 KKAFMO CC(C)CC(C)(C)C[C@H]1[N@@H+](C)[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000147137113 562839129 /nfs/dbraw/zinc/83/91/29/562839129.db2.gz PIWKUUTZFWFIOL-RFHZMROGSA-N 1 1 608.582 5.111 1 0 KKAFMO C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000147817874 562839741 /nfs/dbraw/zinc/83/97/41/562839741.db2.gz DZEQBPTXICASFA-SJLPKXTDSA-N 1 1 517.605 5.411 1 0 KKAFMO C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C[C@H](Cc2c(F)cccc2F)C1 ZINC000147817874 562839742 /nfs/dbraw/zinc/83/97/42/562839742.db2.gz DZEQBPTXICASFA-SJLPKXTDSA-N 1 1 517.605 5.411 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000148834440 562841845 /nfs/dbraw/zinc/84/18/45/562841845.db2.gz NDAUVHAXPXTAMJ-DEOSSOPVSA-N 1 1 512.094 5.366 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000148868782 562841915 /nfs/dbraw/zinc/84/19/15/562841915.db2.gz HZDMBSQXOULJJV-VWLOTQADSA-N 1 1 508.106 6.054 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000148886847 562841964 /nfs/dbraw/zinc/84/19/64/562841964.db2.gz RXVLLQQUQSKKRR-VWLOTQADSA-N 1 1 508.106 6.433 1 0 KKAFMO COc1cc(F)ccc1C[N@H+]1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148942547 562842001 /nfs/dbraw/zinc/84/20/01/562842001.db2.gz LCIDHVYSTRBEEO-QFIPXVFZSA-N 1 1 519.057 5.546 1 0 KKAFMO COc1ncccc1-c1c2nc(Nc3cc(C)c(-n4cc[nH+]c4C)cc3OC(C)C)ncc2sc1C(N)=O ZINC000150289479 562843055 /nfs/dbraw/zinc/84/30/55/562843055.db2.gz GIPIAGYZUQYSGK-UHFFFAOYSA-N 1 1 529.626 5.194 1 0 KKAFMO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)s3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000150363879 562843342 /nfs/dbraw/zinc/84/33/42/562843342.db2.gz NQBHHXONDCQLRN-NWPKOSFFSA-N 1 1 852.376 6.417 1 0 KKAFMO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H]([NH2+]Cc1ccc(Br)cc1)C(=O)N[C@H](C(=O)NCc1nc2ccccc2[nH]1)C(C)C ZINC000150547624 562844501 /nfs/dbraw/zinc/84/45/01/562844501.db2.gz ZPLNKSVNSSPDBX-BMYMHALSSA-N 1 1 854.847 5.280 1 0 KKAFMO C[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606244 562847860 /nfs/dbraw/zinc/84/78/60/562847860.db2.gz JCRAXGYBNYHQTK-KAODMTDESA-N 1 1 664.892 5.428 1 0 KKAFMO CC[NH+]1CCN(c2c(F)cccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606289 562847927 /nfs/dbraw/zinc/84/79/27/562847927.db2.gz SKOJQVCTPDDCCR-NQVJXQQZSA-N 1 1 678.919 5.818 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1 ZINC000166621980 562850459 /nfs/dbraw/zinc/85/04/59/562850459.db2.gz JLBXHIADLAERJV-UHFFFAOYSA-N 1 1 517.612 6.162 1 0 KKAFMO Cc1nc(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4C[N@H+]4CCCOCC4)c3)CC2)cs1 ZINC000167323904 562850733 /nfs/dbraw/zinc/85/07/33/562850733.db2.gz AUNBWLAPOMPOPZ-MKPDMIMOSA-N 1 1 659.784 5.844 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167487993 562850905 /nfs/dbraw/zinc/85/09/05/562850905.db2.gz NCPAIVXJNWJIFA-UHFFFAOYSA-N 1 1 577.643 5.913 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6cccc(C)n6)n[nH]5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1 ZINC000167487993 562850906 /nfs/dbraw/zinc/85/09/06/562850906.db2.gz NCPAIVXJNWJIFA-UHFFFAOYSA-N 1 1 577.643 5.913 1 0 KKAFMO Cn1c2ccc(Oc3ccnc(NC(=O)C4CC[NH+](C)CC4)c3)cc2nc1Nc1cccc(C(C)(C)C)c1 ZINC000167785853 562851057 /nfs/dbraw/zinc/85/10/57/562851057.db2.gz UFZLFECVKGGBOA-UHFFFAOYSA-N 1 1 512.658 6.082 1 0 KKAFMO COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OCCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C ZINC000169297897 562852630 /nfs/dbraw/zinc/85/26/30/562852630.db2.gz QZZJNRWXLCKHIO-ZJZPFXHKSA-N 1 1 711.340 8.017 1 0 KKAFMO CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000169303233 562853159 /nfs/dbraw/zinc/85/31/59/562853159.db2.gz NEFWYBQTGGELJS-YMZJSSRLSA-N 1 1 623.823 5.516 1 0 KKAFMO CCCCOc1cc(OCCC[NH+](CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n[nH]1 ZINC000169312775 562855428 /nfs/dbraw/zinc/85/54/28/562855428.db2.gz RHOPKNMJWBQEOA-UHFFFAOYSA-N 1 1 591.152 8.064 1 0 KKAFMO C[NH+](C)CCCn1c(=O)c(CCCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ccccc21 ZINC000169319136 562856188 /nfs/dbraw/zinc/85/61/88/562856188.db2.gz OWRPCOONNYMSMY-MHZLTWQESA-N 1 1 525.137 5.210 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccc(O)cc3)CC2)ccc1O ZINC000169321632 562856689 /nfs/dbraw/zinc/85/66/89/562856689.db2.gz VVZDAMSHHUSQQC-DHUJRADRSA-N 1 1 682.884 6.203 1 0 KKAFMO Fc1cccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)c1 ZINC000169322271 562856804 /nfs/dbraw/zinc/85/68/04/562856804.db2.gz QDBDMTQLEIUMBV-UHFFFAOYSA-N 1 1 600.102 6.577 1 0 KKAFMO Fc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)cc1 ZINC000169323765 562857142 /nfs/dbraw/zinc/85/71/42/562857142.db2.gz FLBLUCZVKMVSAZ-UHFFFAOYSA-N 1 1 600.102 6.577 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cc(C)cc(C)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338634 562860311 /nfs/dbraw/zinc/86/03/11/562860311.db2.gz JMCOUXKMURIBCQ-VTRXWXBFSA-N 1 1 515.694 5.141 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1cccc(Cl)c1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338639 562860322 /nfs/dbraw/zinc/86/03/22/562860322.db2.gz YFBHWYAQYNXSFZ-JTTXIWGLSA-N 1 1 522.085 5.178 1 0 KKAFMO CNC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CC[N@@H+](C)CCCCC3)ncc1Cl ZINC000169345225 562861553 /nfs/dbraw/zinc/86/15/53/562861553.db2.gz DUETYWKLKOISFN-UHFFFAOYSA-N 1 1 509.054 5.186 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@H](c4ccccc4)O[C@H]3CC[C@]2(C)[C@@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@@]21C ZINC000169361391 562864209 /nfs/dbraw/zinc/86/42/09/562864209.db2.gz CLWKFAZQUOWPKF-ZUJQWRSSSA-N 1 1 644.765 5.482 1 0 KKAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@@H+](CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000169686896 562865126 /nfs/dbraw/zinc/86/51/26/562865126.db2.gz PLWWMLKFJZRSNN-LHEWISCISA-N 1 1 656.791 5.395 1 0 KKAFMO CC(=O)Oc1cccc(C[N@@H+]2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702054 562868160 /nfs/dbraw/zinc/86/81/60/562868160.db2.gz VICCPXIMFPISQJ-DEOSSOPVSA-N 1 1 529.077 5.323 1 0 KKAFMO CN1CCN(CCCC(=O)O[C@@H]2CC3([NH+]4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448900 562871918 /nfs/dbraw/zinc/87/19/18/562871918.db2.gz OJKVDKLFJYQQNR-UZBSQRRVSA-N 1 1 515.742 5.142 1 0 KKAFMO COc1cc(=O)n(-c2ccc(Oc3cc[nH+]c(N)c3-c3ccc(F)cc3)c(F)c2)cc1C(=O)NCc1ccc(F)cc1 ZINC000206003113 562876138 /nfs/dbraw/zinc/87/61/38/562876138.db2.gz JQGNMEXDNVFIAC-UHFFFAOYSA-N 1 1 572.543 5.630 1 0 KKAFMO [NH3+][C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cc(C(F)(F)F)n[nH]3)csc21)Cc1ccccc1 ZINC000223692202 562880161 /nfs/dbraw/zinc/88/01/61/562880161.db2.gz QTYHLYNWGAPKDM-AWEZNQCLSA-N 1 1 513.524 5.283 1 0 KKAFMO COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000253635611 562882235 /nfs/dbraw/zinc/88/22/35/562882235.db2.gz XOQWEZVGZTXXBC-HBDUOBNSSA-N 1 1 531.737 5.287 1 0 KKAFMO CN1CC[NH+](CCCOc2ccc([C@H]3O[C@H](c4ccccc4Cl)[C@H](c4ccccc4Cl)O3)cc2)CC1 ZINC000253656010 562882656 /nfs/dbraw/zinc/88/26/56/562882656.db2.gz ONCHPBKAGOWLIQ-WLNZHLEZSA-N 1 1 527.492 6.538 1 0 KKAFMO COc1ccc(-c2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)noc2-c2cc(Cl)c(O)cc2O)cc1 ZINC000299826183 562883776 /nfs/dbraw/zinc/88/37/76/562883776.db2.gz FOFVZTDYBUEDIT-UHFFFAOYSA-N 1 1 534.012 5.476 1 0 KKAFMO CCCCOC(=O)CCC(=O)N1CC[NH+](CCCOc2cc3c(cc2OC)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000299826745 562883977 /nfs/dbraw/zinc/88/39/77/562883977.db2.gz NXSAWPWMUVKLJM-UHFFFAOYSA-N 1 1 602.107 5.211 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CCN(Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836394 562887154 /nfs/dbraw/zinc/88/71/54/562887154.db2.gz ZQSWUZJRLPTXDM-PMERELPUSA-N 1 1 525.737 6.032 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@H]3CC[N@H+](C4CCN(Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836394 562887155 /nfs/dbraw/zinc/88/71/55/562887155.db2.gz ZQSWUZJRLPTXDM-PMERELPUSA-N 1 1 525.737 6.032 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CCN(Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836395 562887163 /nfs/dbraw/zinc/88/71/63/562887163.db2.gz ZQSWUZJRLPTXDM-SSEXGKCCSA-N 1 1 525.737 6.032 1 0 KKAFMO CC(C)(C)c1ccc(OCc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCN(Cc5ccccc5)CC4)C3)cc2)cc1 ZINC000299836395 562887164 /nfs/dbraw/zinc/88/71/64/562887164.db2.gz ZQSWUZJRLPTXDM-SSEXGKCCSA-N 1 1 525.737 6.032 1 0 KKAFMO CC(C)CCNc1nccc(-c2cccnc2Oc2ccc(Nc3[nH]c4ccccc4[nH+]3)c3ccccc23)n1 ZINC000299840103 562888417 /nfs/dbraw/zinc/88/84/17/562888417.db2.gz ULRIGDWMHBUIHG-UHFFFAOYSA-N 1 1 515.621 7.562 1 0 KKAFMO COc1ccc(C[NH+]2CCC(NC(=O)c3noc(-c4cc(Cl)c(O)cc4O)c3-c3ccc(OC)cc3)CC2)cc1 ZINC000299841134 562888747 /nfs/dbraw/zinc/88/87/47/562888747.db2.gz YDCQPNSQDQCBFM-UHFFFAOYSA-N 1 1 564.038 5.485 1 0 KKAFMO Cc1ccc(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299846973 562889753 /nfs/dbraw/zinc/88/97/53/562889753.db2.gz BMOJETYKOWBJNF-VIZCGCQYSA-N 1 1 616.688 6.791 1 0 KKAFMO COc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(F)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299854701 562891435 /nfs/dbraw/zinc/89/14/35/562891435.db2.gz BBQIACSWOIWMLF-UHFFFAOYSA-N 1 1 538.623 5.327 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCCN2CC[N@H+](Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 562891631 /nfs/dbraw/zinc/89/16/31/562891631.db2.gz DEYKOEXQQNSWIG-RUZDIDTESA-N 1 1 539.164 5.145 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCC[N@H+]2CCN(Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 562891632 /nfs/dbraw/zinc/89/16/32/562891632.db2.gz DEYKOEXQQNSWIG-RUZDIDTESA-N 1 1 539.164 5.145 1 0 KKAFMO CC(=O)N1CCC(C(=O)N(CCC[N@@H+]2CCN(Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 562891633 /nfs/dbraw/zinc/89/16/33/562891633.db2.gz DEYKOEXQQNSWIG-RUZDIDTESA-N 1 1 539.164 5.145 1 0 KKAFMO Cc1ccc(N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl ZINC000299856214 562891902 /nfs/dbraw/zinc/89/19/02/562891902.db2.gz IRXPYSOEJZVFBM-MHZLTWQESA-N 1 1 605.198 6.269 1 0 KKAFMO O=c1c(-c2ccccc2Cl)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299856877 562892020 /nfs/dbraw/zinc/89/20/20/562892020.db2.gz KOGOWAAONOEWOD-UHFFFAOYSA-N 1 1 543.042 5.972 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870703 562895562 /nfs/dbraw/zinc/89/55/62/562895562.db2.gz WTJKCICBNUJUCD-SVBGJNGRSA-N 1 1 608.138 5.826 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473084540 562896886 /nfs/dbraw/zinc/89/68/86/562896886.db2.gz RKCAZSONNBZBAN-HHHXNRCGSA-N 1 1 528.012 5.404 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000473084968 562896923 /nfs/dbraw/zinc/89/69/23/562896923.db2.gz VDZDLBDPLHVARY-AREMUKBSSA-N 1 1 596.902 6.711 1 0 KKAFMO CCCCCCNc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000473086810 562897093 /nfs/dbraw/zinc/89/70/93/562897093.db2.gz CUSMDTSIZNVXNX-PMERELPUSA-N 1 1 529.725 6.154 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3cc[nH+]c4ccc(-c5cccc(N6CCOCC6)c5)cc34)cc2Cl)c1 ZINC000473090788 562897596 /nfs/dbraw/zinc/89/75/96/562897596.db2.gz PGGFNCUHOQFTPN-UHFFFAOYSA-N 1 1 540.038 7.275 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NC(=O)c4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094742 562897841 /nfs/dbraw/zinc/89/78/41/562897841.db2.gz VYCOBGCZODSUNS-SSEXGKCCSA-N 1 1 549.671 5.414 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NC(=O)c4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473094742 562897842 /nfs/dbraw/zinc/89/78/42/562897842.db2.gz VYCOBGCZODSUNS-SSEXGKCCSA-N 1 1 549.671 5.414 1 0 KKAFMO Cc1ccc(N2C(=O)[C@@H](NC(=O)C(=O)NCCCCNc3cc[nH+]c4cc(Cl)ccc34)[C@H]2/C=C/c2ccccc2)cc1 ZINC000473107480 562898351 /nfs/dbraw/zinc/89/83/51/562898351.db2.gz JGGIZQJAYARTDV-JJTYFFQISA-N 1 1 582.104 5.119 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1 ZINC000473112294 562898649 /nfs/dbraw/zinc/89/86/49/562898649.db2.gz DJLLGHHQTWRGFO-UHFFFAOYSA-N 1 1 533.621 5.785 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136165 562900933 /nfs/dbraw/zinc/90/09/33/562900933.db2.gz NMZKUZFCZYLPLW-IWYKLHMASA-N 1 1 571.146 7.433 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136168 562900969 /nfs/dbraw/zinc/90/09/69/562900969.db2.gz NMZKUZFCZYLPLW-WXDXAWNOSA-N 1 1 571.146 7.433 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 562902534 /nfs/dbraw/zinc/90/25/34/562902534.db2.gz FTSIBSIBBMRFMJ-NIJXNBFTSA-N 1 1 577.169 5.891 1 0 KKAFMO O=C([O-])C[N@H+]1CCCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236419 562904668 /nfs/dbraw/zinc/90/46/68/562904668.db2.gz DSWUBPMMBDNJSP-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO O=C([O-])C[NH+]1CCCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236419 562904669 /nfs/dbraw/zinc/90/46/69/562904669.db2.gz DSWUBPMMBDNJSP-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO O=C([O-])C[NH+]1CCCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236419 562904670 /nfs/dbraw/zinc/90/46/70/562904670.db2.gz DSWUBPMMBDNJSP-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(OCC(F)(F)F)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474603975 562905313 /nfs/dbraw/zinc/90/53/13/562905313.db2.gz DGTVDNUZDDIIKA-VWLOTQADSA-N 1 1 528.571 5.103 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(OCC(F)(F)F)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474603975 562905314 /nfs/dbraw/zinc/90/53/14/562905314.db2.gz DGTVDNUZDDIIKA-VWLOTQADSA-N 1 1 528.571 5.103 1 0 KKAFMO CCCC[C@H](OC(=O)CN1CC[NH+](CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653717453 562908615 /nfs/dbraw/zinc/90/86/15/562908615.db2.gz IWZJKTWRERVEJR-XPVOTAJGSA-N 1 1 852.022 7.670 1 0 KKAFMO CCOC(=O)c1cc(-c2ccccc2)n2c1c(-c1ccc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653738970 562909998 /nfs/dbraw/zinc/90/99/98/562909998.db2.gz DSQXYDMVGJDQRY-UHFFFAOYSA-N 1 1 623.732 8.393 1 0 KKAFMO Cc1nc2ccccc2c(N(C)c2ccc(OCC[NH+]3CCN(Cc4ccccc4Br)CC3)cc2)n1 ZINC000653739170 562910026 /nfs/dbraw/zinc/91/00/26/562910026.db2.gz PTEWVAUCZWFQQI-UHFFFAOYSA-N 1 1 546.513 5.665 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2cc(OC)c(OC)c(OC)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653748862 562910562 /nfs/dbraw/zinc/91/05/62/562910562.db2.gz ZJLOUQPMUBFJJT-UHFFFAOYSA-N 1 1 537.653 5.178 1 0 KKAFMO Fc1cccc(COc2ccc(Nc3ncnc4cc(-c5ccc(C[NH+]6CCOCC6)cc5)sc43)cc2Cl)c1 ZINC000653749417 562910601 /nfs/dbraw/zinc/91/06/01/562910601.db2.gz SEWOOIMGADKBID-UHFFFAOYSA-N 1 1 561.082 7.306 1 0 KKAFMO CCN(CC)C(=O)[C@@H]1CCCN(c2nc3scc(-c4ccccc4)c3c(N3CCC(C[N@@H+](C)[C@H]4CCN(C)C4)CC3)n2)C1 ZINC000653768958 562911734 /nfs/dbraw/zinc/91/17/34/562911734.db2.gz JLMVLYYCQLMTCP-IZLXSDGUSA-N 1 1 603.881 5.295 1 0 KKAFMO Cc1ccc(-c2nnc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653806056 562913673 /nfs/dbraw/zinc/91/36/73/562913673.db2.gz KDZFJOUWSWBVDR-UHFFFAOYSA-N 1 1 518.625 5.055 1 0 KKAFMO O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3=[NH+]O[C@H](c4ccccc4)C3)cs2)CC1 ZINC000653847515 562915258 /nfs/dbraw/zinc/91/52/58/562915258.db2.gz NNNDFWNUSYAEGF-NRFANRHFSA-N 1 1 502.518 5.349 1 0 KKAFMO C[NH+]1CCN(Cc2cccc(-c3ccc(-c4cc(C(=O)NC56CC7CC(CC(C7)C5)C6)no4)cc3)c2)CC1 ZINC000653852942 562915616 /nfs/dbraw/zinc/91/56/16/562915616.db2.gz QRIXAJZFVNJQLI-UHFFFAOYSA-N 1 1 510.682 5.455 1 0 KKAFMO O=C(C1CCCCC1)N1CCC2(C1)CCN(c1nc(NCc3ccc(Cl)cc3Cl)cc[nH+]1)CC2 ZINC000653854027 562915688 /nfs/dbraw/zinc/91/56/88/562915688.db2.gz OMZRSIQMTWYCAU-UHFFFAOYSA-N 1 1 502.490 5.795 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653875509 562916622 /nfs/dbraw/zinc/91/66/22/562916622.db2.gz BZDICMOFJNLEFS-UHFFFAOYSA-N 1 1 526.471 5.915 1 0 KKAFMO O=C(NCCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 562917625 /nfs/dbraw/zinc/91/76/25/562917625.db2.gz GYTHGRFVTNKPTI-GWUOUMRYSA-N 1 1 519.652 5.770 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454270 565119476 /nfs/dbraw/zinc/11/94/76/565119476.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454270 565119484 /nfs/dbraw/zinc/11/94/84/565119484.db2.gz MYHQIVSWYXBWOC-WDYNHAJCSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO C[NH2+]CCOc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568400 565143610 /nfs/dbraw/zinc/14/36/10/565143610.db2.gz FBQHCRHOEPNEAL-HMLVBYEVSA-N 1 1 668.787 5.594 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@H](C2)[N@@H+](C)CC3)OCO4 ZINC000085976800 565171064 /nfs/dbraw/zinc/17/10/64/565171064.db2.gz OSOKLEWJPLGVBW-NDEPHWFRSA-N 1 1 648.712 7.258 1 0 biogenic,in-vitro KKAFMO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CC[N@@H+]4C)cc3)c1O)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C ZINC000095098971 565172150 /nfs/dbraw/zinc/17/21/50/565172150.db2.gz OCQIGPWTTUGDSS-VMPREFPWSA-N 1 1 668.787 6.457 1 0 biogenic,in-vitro KKAFMO COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](CN1C)C3)[C@H](Cc1ccccc1O)[N@H+](C)CC2 ZINC000095485886 565173608 /nfs/dbraw/zinc/17/36/08/565173608.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 1 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMO COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@@H](CN1C)C3)[C@H](Cc1ccccc1O)[N@@H+](C)CC2 ZINC000095485886 565173609 /nfs/dbraw/zinc/17/36/09/565173609.db2.gz ZFHSYOTXRSKBGC-PPPOZOIESA-N 1 1 650.816 6.472 1 0 biogenic,in-vitro KKAFMO O=C(C=C(O)C1=C(CNC2=[NH+]CC=C2)Cc2[nH]ccc2[C@H]1CCCCc1cccc(O)c1)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000103531482 565194221 /nfs/dbraw/zinc/19/42/21/565194221.db2.gz YGMPWWYVVYLSOO-UOSBZTQKSA-N 1 1 633.789 7.430 1 0 biogenic,in-vitro KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000001543471 561677209 /nfs/dbraw/zinc/67/72/09/561677209.db2.gz BHZJFQNYKUBEDC-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2F)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000001543471 561677211 /nfs/dbraw/zinc/67/72/11/561677211.db2.gz BHZJFQNYKUBEDC-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000003828202 561683409 /nfs/dbraw/zinc/68/34/09/561683409.db2.gz LQJLTYMDYCZNNA-UHFFFAOYSA-N 1 1 523.165 6.945 1 0 KKAFMO Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000003828202 561683411 /nfs/dbraw/zinc/68/34/11/561683411.db2.gz LQJLTYMDYCZNNA-UHFFFAOYSA-N 1 1 523.165 6.945 1 0 KKAFMO CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)C1 ZINC000003915807 561684735 /nfs/dbraw/zinc/68/47/35/561684735.db2.gz UVOURRFWHVVQKI-QNGWXLTQSA-N 1 1 668.927 7.324 1 0 KKAFMO CCCCCc1ccc(CN(C(=[NH+]c2ccc(OC)cc2OC)C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929647 561687129 /nfs/dbraw/zinc/68/71/29/561687129.db2.gz ZKYRVPCHADANOH-XMMPIXPASA-N 1 1 580.766 7.367 1 0 KKAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000003994922 561693767 /nfs/dbraw/zinc/69/37/67/561693767.db2.gz MUQJKGMXKAWCJF-WJOKGBTCSA-N 1 1 593.599 5.890 1 0 KKAFMO CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(C[NH+](C)C)o4)cc3)cc2)o1 ZINC000013452618 561713503 /nfs/dbraw/zinc/71/35/03/561713503.db2.gz RVVWDYHZWLAHCI-UHFFFAOYSA-N 1 1 520.764 7.530 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CCc1cccs1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000006716246 561702965 /nfs/dbraw/zinc/70/29/65/561702965.db2.gz WTGSHWLSWVFVAH-JTTXIWGLSA-N 1 1 521.723 5.062 1 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585158 561705819 /nfs/dbraw/zinc/70/58/19/561705819.db2.gz GERZIBJSNHFDPD-NNLMEJECSA-N 1 1 611.185 8.877 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585224 561705853 /nfs/dbraw/zinc/70/58/53/561705853.db2.gz FPLVWQKJWBMJCK-SPOSYKFASA-N 1 1 541.135 7.590 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000008860375 561708663 /nfs/dbraw/zinc/70/86/63/561708663.db2.gz KKIRKDBZBVQYSD-QJOHXIFOSA-N 1 1 575.752 8.829 3 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCn1c(=O)c3ccccc3nc1-c1ccc(-c3ccccc3)cc1)CC2 ZINC000013438292 561712088 /nfs/dbraw/zinc/71/20/88/561712088.db2.gz ZZCIOKLFQNGQEK-UHFFFAOYSA-N 1 1 517.629 5.806 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1c(=O)c3ccccc3nc1-c1ccc(-c3ccccc3)cc1)CC2 ZINC000013438292 561712090 /nfs/dbraw/zinc/71/20/90/561712090.db2.gz ZZCIOKLFQNGQEK-UHFFFAOYSA-N 1 1 517.629 5.806 1 0 KKAFMO Cc1c(-c2cccc(C(C)C)c2)c(=O)n(CC[N@@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000013559584 561719455 /nfs/dbraw/zinc/71/94/55/561719455.db2.gz QJZBHXNXKAYBKF-UHFFFAOYSA-N 1 1 532.635 5.005 1 0 KKAFMO CCC[N@H+](Cc1sc(N(CC)c2ccc(C(C)C)cc2Br)nc1C(F)(F)F)CC1CC1 ZINC000013587346 561720644 /nfs/dbraw/zinc/72/06/44/561720644.db2.gz JOIHMLYSQJHWLB-UHFFFAOYSA-N 1 1 518.487 7.828 1 0 KKAFMO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013661704 561723596 /nfs/dbraw/zinc/72/35/96/561723596.db2.gz VBTKCUFWEXQSPZ-AREMUKBSSA-N 1 1 509.513 6.060 3 0 KKAFMO CC[N@H+]1CCC[C@H]1CNc1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1 ZINC000013671983 561723807 /nfs/dbraw/zinc/72/38/07/561723807.db2.gz WTECJAHWHNJGGJ-IBGZPJMESA-N 1 1 502.537 5.356 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000013819429 561732518 /nfs/dbraw/zinc/73/25/18/561732518.db2.gz SUKMVMFONPSNRM-DCMFLLSESA-N 1 1 502.743 6.470 1 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(CC4)[N@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860004 561734471 /nfs/dbraw/zinc/73/44/71/561734471.db2.gz RHNOFZVTGNOXAN-ZVGZTULCSA-N 1 1 527.668 7.009 1 0 KKAFMO Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)[N@H+]4Cc4ccccc43)c(Cl)c2)c1 ZINC000013860005 561734522 /nfs/dbraw/zinc/73/45/22/561734522.db2.gz ZTTPWJKHMBAEQQ-LCRYKWFRSA-N 1 1 518.032 6.443 1 0 KKAFMO CC(C)C(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000013862775 561734830 /nfs/dbraw/zinc/73/48/30/561734830.db2.gz VVQLVPFUZGSGAS-DEOSSOPVSA-N 1 1 526.725 5.901 1 0 KKAFMO Cc1cc(C)cc(C(=O)N2CCN(C(=O)C[NH2+]C3CCN(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000014139885 561736950 /nfs/dbraw/zinc/73/69/50/561736950.db2.gz MUQJKGMXKAWCJF-HKBQPEDESA-N 1 1 593.599 5.890 1 0 KKAFMO CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@H](C1)C2 ZINC000014947310 561744799 /nfs/dbraw/zinc/74/47/99/561744799.db2.gz DBUWWODVSCMGDY-IZZNHLLZSA-N 1 1 579.232 9.786 1 0 KKAFMO CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 ZINC000014960866 561748449 /nfs/dbraw/zinc/74/84/49/561748449.db2.gz UIOVGRXEBWMUQT-LJAQVGFWSA-N 1 1 542.705 5.270 1 0 KKAFMO NC(=O)Cc1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1 ZINC000014972997 561751653 /nfs/dbraw/zinc/75/16/53/561751653.db2.gz PVSVRPXIFWFGJY-UHFFFAOYSA-N 1 1 546.633 6.836 1 0 KKAFMO c1ccc(-c2ccc(C[N@H+]3C[C@@H]4[C@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545653 561755853 /nfs/dbraw/zinc/75/58/53/561755853.db2.gz HBTGLPUBYGXXKT-WYNQQYPZSA-N 1 1 517.716 9.042 3 0 KKAFMO COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545866 561756137 /nfs/dbraw/zinc/75/61/37/561756137.db2.gz WDNBAIVCBMDRDB-RRPNLBNLSA-N 1 1 560.691 5.074 3 0 KKAFMO COc1cc([C@@H]2CC(=O)Oc3c([C@H](CC[NH+]4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545881 561756197 /nfs/dbraw/zinc/75/61/97/561756197.db2.gz RQIACJOCHQVTGC-FTJBHMTQSA-N 1 1 620.743 5.091 3 0 KKAFMO FC(F)(F)c1ccc([C@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000017577516 561756673 /nfs/dbraw/zinc/75/66/73/561756673.db2.gz KJOIRNUOPVSAQC-WYNQQYPZSA-N 1 1 585.713 10.061 3 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577508 561756720 /nfs/dbraw/zinc/75/67/20/561756720.db2.gz XTCDAIJNJCCXIT-JENGUWKOSA-N 1 1 545.048 8.443 3 0 KKAFMO COc1ccc2c(c1)CCC(CN1CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=C2 ZINC000019360481 561758348 /nfs/dbraw/zinc/75/83/48/561758348.db2.gz JIIRENXDZVBJNH-UHFFFAOYSA-N 1 1 504.621 5.727 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449793 561759235 /nfs/dbraw/zinc/75/92/35/561759235.db2.gz JGAMGZZJGJQWBX-SVBPBHIXSA-N 1 1 553.747 5.995 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@@H+]([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449793 561759236 /nfs/dbraw/zinc/75/92/36/561759236.db2.gz JGAMGZZJGJQWBX-SVBPBHIXSA-N 1 1 553.747 5.995 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@H+]([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449793 561759237 /nfs/dbraw/zinc/75/92/37/561759237.db2.gz JGAMGZZJGJQWBX-SVBPBHIXSA-N 1 1 553.747 5.995 1 0 KKAFMO COc1ccc(-c2cc(CCCC[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)on2)c(OC)c1 ZINC000022924677 561759511 /nfs/dbraw/zinc/75/95/11/561759511.db2.gz DSIODFVVJVFOFI-UHFFFAOYSA-N 1 1 511.666 6.089 1 0 KKAFMO Cc1nc(C)c(C(=O)N2CCC(C)([N@H+]3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927072 561759927 /nfs/dbraw/zinc/75/99/27/561759927.db2.gz UMOFYSFQZJYWNT-RXVVDRJESA-N 1 1 517.640 5.183 1 0 KKAFMO CC(C)N1CCN(CCN2CC[NH+]([C@@H]3C[C@@H](c4ccc(Cl)cc4)c4cc(Cl)ccc43)CC2)C1=O ZINC000022940815 561761042 /nfs/dbraw/zinc/76/10/42/561761042.db2.gz MNGBFDADKNTDGN-AZGAKELHSA-N 1 1 501.502 5.334 1 0 KKAFMO C[NH+]1CCN(Cc2ccccc2-c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc6onc(N)c6c5)c4C3=O)cc2)CC1 ZINC000023358138 561761984 /nfs/dbraw/zinc/76/19/84/561761984.db2.gz ASRYKRVWPDUVJA-UHFFFAOYSA-N 1 1 601.633 5.232 1 0 KKAFMO Cc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CN1CC[NH+](C)CC1 ZINC000023359287 561762117 /nfs/dbraw/zinc/76/21/17/561762117.db2.gz INKAAAVRNUCZBR-UHFFFAOYSA-N 1 1 551.927 6.269 1 0 KKAFMO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CC[NH+](C)CC2)c1Cl ZINC000023359232 561762219 /nfs/dbraw/zinc/76/22/19/561762219.db2.gz CFYDJHKIUFGPDT-UHFFFAOYSA-N 1 1 567.926 5.969 1 0 KKAFMO CCC[N@@H+](CCCCNC(=O)c1ccc(-c2ccccc2)cc1)[C@H]1CCc2c(Br)cccc2C1 ZINC000026153646 561767945 /nfs/dbraw/zinc/76/79/45/561767945.db2.gz HBJXUXOERUVVGH-MHZLTWQESA-N 1 1 519.527 6.896 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(N2CC[NH+](Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000026247808 561773582 /nfs/dbraw/zinc/77/35/82/561773582.db2.gz HTWLSEXOVXEWKJ-UHFFFAOYSA-N 1 1 525.693 5.045 1 0 KKAFMO O=C(NC1CCCCC1)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000026255465 561774847 /nfs/dbraw/zinc/77/48/47/561774847.db2.gz NYRBPTLMCMDJDX-CZFRINIUSA-N 1 1 504.718 7.421 1 0 KKAFMO COc1ccc([C@H](CCCCC[N@H+]2CCc3cc4c(cc3C2)OCO4)Sc2ccc(C)cc2)cc1OC ZINC000026259137 561775259 /nfs/dbraw/zinc/77/52/59/561775259.db2.gz ZIDJRRPIOJNLKD-HKBQPEDESA-N 1 1 519.707 7.193 1 0 KKAFMO CC[NH+](CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026267789 561776690 /nfs/dbraw/zinc/77/66/90/561776690.db2.gz WKLJQNIJCVEGNC-UHFFFAOYSA-N 1 1 548.776 5.392 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc3c(c1)OCO3)CC2 ZINC000026270507 561777167 /nfs/dbraw/zinc/77/71/67/561777167.db2.gz JAPKDYAEBPSGFI-HKBQPEDESA-N 1 1 519.707 7.193 1 0 KKAFMO COc1ccc([C@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)c(OC)c3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271229 561777281 /nfs/dbraw/zinc/77/72/81/561777281.db2.gz KLIWAWKHWKQIAF-YTTGMZPUSA-N 1 1 579.803 7.880 1 0 KKAFMO COc1ccc([C@H](CCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026271339 561777338 /nfs/dbraw/zinc/77/73/38/561777338.db2.gz HCJPKEPIBGVGBG-YTTGMZPUSA-N 1 1 535.750 7.482 1 0 KKAFMO CC[C@](CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1 ZINC000026283542 561779461 /nfs/dbraw/zinc/77/94/61/561779461.db2.gz FUXGUCORRPMWFN-UUWRZZSWSA-N 1 1 563.804 8.046 1 0 KKAFMO Cc1cc(OCCCCCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026472788 561790704 /nfs/dbraw/zinc/79/07/04/561790704.db2.gz UKLCFUDFXSOVFG-UHFFFAOYSA-N 1 1 514.754 7.444 1 0 KKAFMO CC(C)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)[C@H](C)O)[nH+]1 ZINC000026486361 561792454 /nfs/dbraw/zinc/79/24/54/561792454.db2.gz VMCFMBZLIOSMCO-PSXWTVODSA-N 1 1 612.771 5.014 1 0 KKAFMO Cc1cc(OCCCCCCCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O ZINC000026486147 561792483 /nfs/dbraw/zinc/79/24/83/561792483.db2.gz SMIZOUGJMPTYEG-UHFFFAOYSA-N 1 1 542.808 8.224 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)oc(=O)n3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026577113 561800953 /nfs/dbraw/zinc/80/09/53/561800953.db2.gz SMKCWLRQAIMCBO-UHFFFAOYSA-N 1 1 614.762 5.482 1 0 KKAFMO Cc1cc(N2CCOCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3Cl)c2[nH+]1 ZINC000026579220 561804308 /nfs/dbraw/zinc/80/43/08/561804308.db2.gz WHWLFGRZGIFUBH-XNTDXEJSSA-N 1 1 702.639 6.185 1 0 KKAFMO COc1c2ccoc2c(OC)c2oc(CN3CCC(C4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000026657751 561809791 /nfs/dbraw/zinc/80/97/91/561809791.db2.gz NEGZHVYJYCJOTB-UHFFFAOYSA-N 1 1 684.742 6.550 1 0 KKAFMO Cc1cc(F)ccc1Nc1nc2ccc(OCCC[NH+]3CCOCC3)cc2c(N(C)c2ccccc2)n1 ZINC000026664252 561810910 /nfs/dbraw/zinc/81/09/10/561810910.db2.gz NYUIIUVGSHVXNZ-UHFFFAOYSA-N 1 1 501.606 5.690 1 0 KKAFMO CS(=O)(=O)Oc1ccc2c(c1)CC[C@H]1[C@H]2CC[N@H+]1CCCCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000026720806 561815212 /nfs/dbraw/zinc/81/52/12/561815212.db2.gz TWPGFOWTCCVBGS-VMPREFPWSA-N 1 1 518.679 5.006 1 0 KKAFMO COCCN(C)C(=O)c1cn(Cc2c[nH+]cn2Cc2ccc3c(c2)OCO3)cc1-c1cccc2ccccc21 ZINC000026833828 561823537 /nfs/dbraw/zinc/82/35/37/561823537.db2.gz BHBPTTBKKZBFIQ-UHFFFAOYSA-N 1 1 522.605 5.049 1 0 KKAFMO COc1c(C(C)(C)C)cc([C@H]2SCC(=O)N2CCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)cc1C(C)(C)C ZINC000026836308 561824340 /nfs/dbraw/zinc/82/43/40/561824340.db2.gz WEGQVYKRFYKPBT-GDLZYMKVSA-N 1 1 556.769 5.994 1 0 KKAFMO CCOC(=O)C1=C(c2ccc(-n3cc[nH+]c3C)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026839515 561825431 /nfs/dbraw/zinc/82/54/31/561825431.db2.gz FCGSNXZAIYCCPV-MHZLTWQESA-N 1 1 554.050 5.803 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2cc(Br)cc(Br)c2)C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000026843706 561826112 /nfs/dbraw/zinc/82/61/12/561826112.db2.gz QRZABLVSQLMLCO-LJAQVGFWSA-N 1 1 723.337 6.798 1 0 KKAFMO CCc1nc(Cc2ccccc2)[nH]c1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836639 /nfs/dbraw/zinc/83/66/39/561836639.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 1 1 572.769 6.240 1 0 KKAFMO CCc1[nH]c(Cc2ccccc2)nc1C1CC[NH+](C[C@H]2C[N@@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836641 /nfs/dbraw/zinc/83/66/41/561836641.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 1 1 572.769 6.240 1 0 KKAFMO CCc1[nH]c(Cc2ccccc2)nc1C1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CCC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 561836643 /nfs/dbraw/zinc/83/66/43/561836643.db2.gz DMVQIIYWBFYARK-QTKNLHBISA-N 1 1 572.769 6.240 1 0 KKAFMO CC(=O)Nc1ccc(-c2sc3c(c2C[N@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000027189716 561843266 /nfs/dbraw/zinc/84/32/66/561843266.db2.gz WWFGVTCZQZISDD-UHFFFAOYSA-N 1 1 636.724 6.798 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4cc[nH+]c(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027190765 561843502 /nfs/dbraw/zinc/84/35/02/561843502.db2.gz OOIJQVADMZQMAU-SSEXGKCCSA-N 1 1 621.826 7.451 1 0 KKAFMO C[N@@H+](Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000027191162 561843506 /nfs/dbraw/zinc/84/35/06/561843506.db2.gz MPGYHGSWNRWLLD-UHFFFAOYSA-N 1 1 690.694 7.340 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@@H]1C)ncnc2N1CCN(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000027202118 561845300 /nfs/dbraw/zinc/84/53/00/561845300.db2.gz VCRKDNXOGDJUAN-DEOSSOPVSA-N 1 1 576.742 5.423 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(Cl)cc4)CC3)c2)C1C(=O)OC ZINC000027209303 561846693 /nfs/dbraw/zinc/84/66/93/561846693.db2.gz KPMCWTJACSWVKC-GTPRLXIXSA-N 1 1 610.155 5.485 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(C)cc4)CC3)c2)C1C(=O)OC ZINC000027216727 561848503 /nfs/dbraw/zinc/84/85/03/561848503.db2.gz SMJLNIGKMMYLNJ-ONLUTYIHSA-N 1 1 589.737 5.140 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)NC2CCCC2)cn3Cc2ccccc2F)cc1 ZINC000027325590 561853420 /nfs/dbraw/zinc/85/34/20/561853420.db2.gz DCLRIOIGKNCEAU-UHFFFAOYSA-N 1 1 662.810 6.436 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000027423142 561858017 /nfs/dbraw/zinc/85/80/17/561858017.db2.gz LQIABJAVEVBDFW-UHFFFAOYSA-N 1 1 588.676 6.874 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000027423142 561858019 /nfs/dbraw/zinc/85/80/19/561858019.db2.gz LQIABJAVEVBDFW-UHFFFAOYSA-N 1 1 588.676 6.874 1 0 KKAFMO CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519605 561863186 /nfs/dbraw/zinc/86/31/86/561863186.db2.gz AGKOFSMXHVZNDI-FJCWQFAGSA-N 1 1 627.918 6.555 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc(F)cc1F ZINC000027547125 561867076 /nfs/dbraw/zinc/86/70/76/561867076.db2.gz ZOBKHHUMXIJHCW-GDLZYMKVSA-N 1 1 567.677 5.564 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027548595 561867519 /nfs/dbraw/zinc/86/75/19/561867519.db2.gz QMEPUSMYDLGAOV-UMSFTDKQSA-N 1 1 585.739 7.439 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(F)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705917 561878774 /nfs/dbraw/zinc/87/87/74/561878774.db2.gz MBBCYKHIQWQOPP-UHFFFAOYSA-N 1 1 604.682 6.497 1 0 KKAFMO O=C(/C=C/c1cncc(Br)c1)NCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027657495 561878017 /nfs/dbraw/zinc/87/80/17/561878017.db2.gz BWGZMJNMJCYAAY-BUHFOSPRSA-N 1 1 533.514 5.161 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)c3ccoc3)cc1)CC2 ZINC000027657563 561878042 /nfs/dbraw/zinc/87/80/42/561878042.db2.gz NNMKTRRPXURKFQ-UHFFFAOYSA-N 1 1 525.605 5.402 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nn[nH]c3c2)c1 ZINC000027981551 561891636 /nfs/dbraw/zinc/89/16/36/561891636.db2.gz IRGBFBDKCVRSAU-DBUALKDLSA-N 1 1 588.800 7.090 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]nnc3c2)c1 ZINC000027981551 561891638 /nfs/dbraw/zinc/89/16/38/561891638.db2.gz IRGBFBDKCVRSAU-DBUALKDLSA-N 1 1 588.800 7.090 1 0 KKAFMO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1 ZINC000027998475 561894245 /nfs/dbraw/zinc/89/42/45/561894245.db2.gz HHEMQVPDWDUFMD-CQTOTRCISA-N 1 1 570.778 6.548 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)C1CCCCC1 ZINC000028005534 561895478 /nfs/dbraw/zinc/89/54/78/561895478.db2.gz SXGHLCHUQYYTLS-VMPREFPWSA-N 1 1 549.756 5.527 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007560 561895751 /nfs/dbraw/zinc/89/57/51/561895751.db2.gz SWSCZYNFHOTCHT-HKBQPEDESA-N 1 1 550.721 6.203 1 0 KKAFMO CCOC(=O)Cn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007693 561895792 /nfs/dbraw/zinc/89/57/92/561895792.db2.gz RWVHBGCCFQXQBP-XNLCPIGASA-N 1 1 626.842 5.966 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028007564 561895812 /nfs/dbraw/zinc/89/58/12/561895812.db2.gz SWSCZYNFHOTCHT-WJOKGBTCSA-N 1 1 550.721 6.203 1 0 KKAFMO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017564 561897757 /nfs/dbraw/zinc/89/77/57/561897757.db2.gz BQQDYTWNFPNXMT-IDLKRKCPSA-N 1 1 616.822 6.568 1 0 KKAFMO COc1cc2c(cc1OC)CC(=O)N(CCC[N@@H+](C)CCc1csc3ccc(Br)cc13)CC2 ZINC000028015390 561897140 /nfs/dbraw/zinc/89/71/40/561897140.db2.gz RNSQYRRGVWKAGB-UHFFFAOYSA-N 1 1 531.516 5.173 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028015385 561897186 /nfs/dbraw/zinc/89/71/86/561897186.db2.gz VWVXJUWUORALDD-KJCODNFBSA-N 1 1 604.811 6.426 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897308 /nfs/dbraw/zinc/89/73/08/561897308.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 1 1 540.752 5.929 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897310 /nfs/dbraw/zinc/89/73/10/561897310.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 1 1 540.752 5.929 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)[C@@H](c2ccccc2)C1 ZINC000028015765 561897312 /nfs/dbraw/zinc/89/73/12/561897312.db2.gz QAIJWPOWXKGVJQ-KCTCJIHVSA-N 1 1 540.752 5.929 1 0 KKAFMO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016384 561897431 /nfs/dbraw/zinc/89/74/31/561897431.db2.gz WUOVQUPKHAFCDO-QOCRQHEPSA-N 1 1 590.784 6.036 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)C[C@@H](C)c2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028019511 561898161 /nfs/dbraw/zinc/89/81/61/561898161.db2.gz IGSKGZICNGWZMH-KCEHZKJRSA-N 1 1 564.748 6.764 1 0 KKAFMO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028020493 561898362 /nfs/dbraw/zinc/89/83/62/561898362.db2.gz VZEOWSJFLSQSHL-MKJJNCKNSA-N 1 1 652.855 7.820 1 0 KKAFMO COc1ccc(OCCCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028021734 561898541 /nfs/dbraw/zinc/89/85/41/561898541.db2.gz IPZYEKFVICMSCL-YTTGMZPUSA-N 1 1 564.748 6.593 1 0 KKAFMO C[N@H+]1CCCN(c2ccccc2-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028085960 561898977 /nfs/dbraw/zinc/89/89/77/561898977.db2.gz GBXQTAMUKOSFPP-UHFFFAOYSA-N 1 1 574.512 6.702 1 0 KKAFMO CCn1nc(Cc2ccc(OC)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093863 561900376 /nfs/dbraw/zinc/90/03/76/561900376.db2.gz VPOHYCVKCIUOIJ-LOZBNSEJSA-N 1 1 616.822 6.570 1 0 KKAFMO O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028105939 561902291 /nfs/dbraw/zinc/90/22/91/561902291.db2.gz GVTZHKIAVNUTSV-GOJCVTOHSA-N 1 1 648.892 5.927 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4cnccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028120134 561904361 /nfs/dbraw/zinc/90/43/61/561904361.db2.gz LBHFPBVNSINXHG-NIYFSFCBSA-N 1 1 513.469 5.121 1 0 KKAFMO CC[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028127548 561905091 /nfs/dbraw/zinc/90/50/91/561905091.db2.gz ARYIMOASXQFMAS-FGZHOGPDSA-N 1 1 510.509 6.737 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128338 561905265 /nfs/dbraw/zinc/90/52/65/561905265.db2.gz NEDFFGGGMNIQHU-URLMMPGGSA-N 1 1 629.123 6.377 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000028128331 561905322 /nfs/dbraw/zinc/90/53/22/561905322.db2.gz NEDFFGGGMNIQHU-FQLXRVMXSA-N 1 1 629.123 6.377 1 0 KKAFMO CCC[N@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1cccnc1 ZINC000028130500 561905688 /nfs/dbraw/zinc/90/56/88/561905688.db2.gz MWTUFHJHKFRMOE-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO CCC[N@@H+](Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1cccnc1 ZINC000028130500 561905690 /nfs/dbraw/zinc/90/56/90/561905690.db2.gz MWTUFHJHKFRMOE-UHFFFAOYSA-N 1 1 509.812 7.673 1 0 KKAFMO COC[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc4ncccc4c3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028132125 561905980 /nfs/dbraw/zinc/90/59/80/561905980.db2.gz NIBJOLRGYNXOPG-QPPBQGQZSA-N 1 1 526.508 5.973 1 0 KKAFMO CCCC[N@H+]1CC[C@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137376 561906895 /nfs/dbraw/zinc/90/68/95/561906895.db2.gz UTAPFVCSIYSFAD-IZZNHLLZSA-N 1 1 530.635 5.445 1 0 KKAFMO COc1cc(C(C)=O)ccc1OCCC[N@H+]1CCC[C@H](C(O)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000028217973 561907065 /nfs/dbraw/zinc/90/70/65/561907065.db2.gz RWAXNKUPBSKCHC-VWLOTQADSA-N 1 1 509.593 5.593 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028247936 561910879 /nfs/dbraw/zinc/91/08/79/561910879.db2.gz SJZZEOSZOLFBGC-UHFFFAOYSA-N 1 1 623.725 6.907 1 0 KKAFMO Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CC[N@H+](C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028260157 561912037 /nfs/dbraw/zinc/91/20/37/561912037.db2.gz OMMOEEIMVKATBO-UHFFFAOYSA-N 1 1 580.635 5.781 1 0 KKAFMO CCOc1ccc2nc(SCC(=O)NC3CC[NH+](Cc4ccc(Cl)c(Cl)c4)CC3)sc2c1 ZINC000028232576 561909349 /nfs/dbraw/zinc/90/93/49/561909349.db2.gz DMLMULMWAGUVQC-UHFFFAOYSA-N 1 1 510.512 5.875 1 0 KKAFMO C[C@](O)(CCC1CC[NH+](C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028235867 561909614 /nfs/dbraw/zinc/90/96/14/561909614.db2.gz JJRGEKBCROFWOB-CIVDOVBRSA-N 1 1 540.695 5.633 1 0 KKAFMO CN(C)CC[N@H+](C)CCC(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028379775 561919926 /nfs/dbraw/zinc/91/99/26/561919926.db2.gz DOESYOYGSVZYGA-UHFFFAOYSA-N 1 1 619.109 6.546 1 0 KKAFMO CN(C)CC[N@@H+](C)CCC(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028379775 561919927 /nfs/dbraw/zinc/91/99/27/561919927.db2.gz DOESYOYGSVZYGA-UHFFFAOYSA-N 1 1 619.109 6.546 1 0 KKAFMO O=C(C[NH+]1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028392322 561922519 /nfs/dbraw/zinc/92/25/19/561922519.db2.gz FNROZGBVSSYDDU-UHFFFAOYSA-N 1 1 574.024 6.758 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028455591 561923595 /nfs/dbraw/zinc/92/35/95/561923595.db2.gz AWOAPOKTAFLQRU-JGCGQSQUSA-N 1 1 678.617 5.739 1 0 KKAFMO CN(C)CCN(Cc1ccc(-c2ccc(C[NH2+]CCc3ccccc3)cc2)cc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000028464223 561925980 /nfs/dbraw/zinc/92/59/80/561925980.db2.gz JBEQUIPPOWOXEE-XTCLZLMSSA-N 1 1 553.772 6.050 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028471855 561927119 /nfs/dbraw/zinc/92/71/19/561927119.db2.gz YCGKTGCKPZIUKH-JOCHJYFZSA-N 1 1 525.524 5.691 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028474848 561927721 /nfs/dbraw/zinc/92/77/21/561927721.db2.gz NKESGSSPZVLTKI-OAQYLSRUSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(Cn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1 ZINC000028521477 561929269 /nfs/dbraw/zinc/92/92/69/561929269.db2.gz SFODKQIDIFSVNS-WTNLLYQRSA-N 1 1 514.714 5.497 1 0 KKAFMO Cc1ccccc1-c1cnc(N2CC[NH+](C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570837 561939155 /nfs/dbraw/zinc/93/91/55/561939155.db2.gz QMKDGEPXNSIOML-UHFFFAOYSA-N 1 1 551.535 5.514 1 0 KKAFMO C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000028570570 561938862 /nfs/dbraw/zinc/93/88/62/561938862.db2.gz GUUMVPUVSBGKBI-RWIFEVTBSA-N 1 1 621.222 5.112 1 0 KKAFMO CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(Nc3ccncc3)cc2)cc1 ZINC000028604093 561940551 /nfs/dbraw/zinc/94/05/51/561940551.db2.gz UTKADJCRWBMFIM-UHFFFAOYSA-N 1 1 528.785 8.103 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)c2cccc(Br)c2)CC1 ZINC000028646204 561944902 /nfs/dbraw/zinc/94/49/02/561944902.db2.gz NTBLOUVNUSNVNG-HKBQPEDESA-N 1 1 549.601 5.531 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(N3CC[NH+]([C@@H](C)c4ccc(C(F)(F)F)cc4)CC3)ncn2)s1 ZINC000028702017 561947081 /nfs/dbraw/zinc/94/70/81/561947081.db2.gz NOJXMKSXBYQUOL-INIZCTEOSA-N 1 1 542.587 5.739 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704018 561948129 /nfs/dbraw/zinc/94/81/29/561948129.db2.gz JZQUTVIGHZYROK-DVJITBLFSA-N 1 1 590.652 7.986 1 0 KKAFMO COC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704033 561948140 /nfs/dbraw/zinc/94/81/40/561948140.db2.gz BZZXSUHOLOFNJP-DAORKYKSSA-N 1 1 580.613 6.832 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704094 561948260 /nfs/dbraw/zinc/94/82/60/561948260.db2.gz RXHGFTDZRGDCPK-PATLUPQASA-N 1 1 526.618 6.716 1 0 KKAFMO C[C@H]1C[N@H+]([C@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704072 561948269 /nfs/dbraw/zinc/94/82/69/561948269.db2.gz NHWLZHAUUGGYKT-DVJITBLFSA-N 1 1 540.645 7.106 1 0 KKAFMO Cc1cc(Nc2ncnc3ccc(OCCC[NH+]4CCOCC4)cc32)ccc1OC1CCN(C(=O)Nc2c(F)cccc2F)CC1 ZINC000028706392 561949726 /nfs/dbraw/zinc/94/97/26/561949726.db2.gz LJZIMCVKWDQQNE-UHFFFAOYSA-N 1 1 632.712 6.136 1 0 KKAFMO COCC[N@H+]1CCC[C@H](Cn2c(=O)c3cc(-c4ccc(Cl)cc4)ccc3nc2-c2ccccc2C)C1 ZINC000028711921 561952578 /nfs/dbraw/zinc/95/25/78/561952578.db2.gz BEASFCMYLAUGDO-QFIPXVFZSA-N 1 1 502.058 6.051 1 0 KKAFMO CCOc1cc(C(=O)OCCCC[N@@H+](CC)[C@@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768659 561960447 /nfs/dbraw/zinc/96/04/47/561960447.db2.gz RIMQMPNCHLPOTA-RUZDIDTESA-N 1 1 513.675 5.708 1 0 KKAFMO C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CC[NH+](CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816391 561964102 /nfs/dbraw/zinc/96/41/02/561964102.db2.gz NGGXTXNCMMOGIG-HJIQQCSTSA-N 1 1 574.809 7.559 1 0 KKAFMO C[C@@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2cccc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816515 561964215 /nfs/dbraw/zinc/96/42/15/561964215.db2.gz SECUIVXEQRIXKP-WMBPSLEXSA-N 1 1 564.123 5.316 1 0 KKAFMO C[C@H]1C[N@H+](C2CCCCC2)CCN1C(=O)OC[C@H]1CCC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028816495 561964254 /nfs/dbraw/zinc/96/42/54/561964254.db2.gz FMMQURLBVRREQY-LCRMXPIESA-N 1 1 574.187 6.100 1 0 KKAFMO COc1cc(-c2csc3c2c(N)ncc3/C=C/CNC2CC[NH2+]CC2)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822594 561967461 /nfs/dbraw/zinc/96/74/61/561967461.db2.gz DAQLGBCGVAJYAG-FNORWQNLSA-N 1 1 566.731 5.653 1 0 KKAFMO CC(C)C[C@H]([NH2+]CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)N2CCCC2=O)CC1 ZINC000028823899 561968559 /nfs/dbraw/zinc/96/85/59/561968559.db2.gz QASNNAVCCMXYPS-XTEPFMGCSA-N 1 1 642.594 5.530 1 0 KKAFMO C[C@H]1C[N@@H+](CC2CC2)CCN1C(=O)OC1([C@H]2CCC[C@@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028879404 561976304 /nfs/dbraw/zinc/97/63/04/561976304.db2.gz ZIDJCKAKCGREPA-XNZIZSAOSA-N 1 1 608.151 5.988 1 0 KKAFMO COc1ccccc1[C@@H](c1ccccc1)[NH+]1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000028869857 561973809 /nfs/dbraw/zinc/97/38/09/561973809.db2.gz GUWMGLWQORYQFJ-SSEXGKCCSA-N 1 1 513.707 5.827 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccn2)n1C ZINC000028897645 561979388 /nfs/dbraw/zinc/97/93/88/561979388.db2.gz LGAWSQIHIHBBPT-UHFFFAOYSA-N 1 1 580.079 5.161 1 0 KKAFMO C[C@@]1([NH3+])Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O ZINC000028949969 561981149 /nfs/dbraw/zinc/98/11/49/561981149.db2.gz ZVKBTZREXBVSHV-QIKUIUABSA-N 1 1 597.737 5.205 1 0 KKAFMO NC(=O)c1ccc2[nH]c(-c3ccc(OCC[C@@H]4CCCC[N@H+]4Cc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000028960885 561984075 /nfs/dbraw/zinc/98/40/75/561984075.db2.gz XOWKMVCDZXOXHR-NRFANRHFSA-N 1 1 523.464 6.459 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(NC[C@H]3CCC[N@H+](CC(C)C)C3)n2)s1 ZINC000028961223 561984148 /nfs/dbraw/zinc/98/41/48/561984148.db2.gz CGFALRMOMFBRRO-HXUWFJFHSA-N 1 1 598.695 7.303 1 0 KKAFMO COc1cc(/C=C/C(=O)OC2CCC([N@@H+](C)C3CCC(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000028967095 561985271 /nfs/dbraw/zinc/98/52/71/561985271.db2.gz GYWUGKYGQVCSEZ-CAOOACKPSA-N 1 1 641.758 5.706 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(OC)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048765 561993668 /nfs/dbraw/zinc/99/36/68/561993668.db2.gz CYXZZISOTXHUNO-SMCANUKXSA-N 1 1 555.078 6.369 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126896 561999057 /nfs/dbraw/zinc/99/90/57/561999057.db2.gz JURMKPGGUGOQIP-IBGZPJMESA-N 1 1 605.606 6.776 1 0 KKAFMO CCc1nc2cc3c(c(Br)c2o1)CC[N@H+]([C@@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126896 561999059 /nfs/dbraw/zinc/99/90/59/561999059.db2.gz JURMKPGGUGOQIP-IBGZPJMESA-N 1 1 605.606 6.776 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126942 561999202 /nfs/dbraw/zinc/99/92/02/561999202.db2.gz DJHAFQLSNXBKIX-GOSISDBHSA-N 1 1 591.579 6.522 1 0 KKAFMO Cc1nc2cc3c(c(Br)c2o1)CC[N@@H+]([C@H](C)CCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029126942 561999203 /nfs/dbraw/zinc/99/92/03/561999203.db2.gz DJHAFQLSNXBKIX-GOSISDBHSA-N 1 1 591.579 6.522 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@@H+]3CCc4cc5nc(C(F)(F)F)oc5cc4CC3)n2C)n1 ZINC000029127173 561999554 /nfs/dbraw/zinc/99/95/54/561999554.db2.gz WHKXNUMKCCTWNI-UHFFFAOYSA-N 1 1 552.626 6.082 1 0 KKAFMO COc1ccc(C[N@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000029216489 562006644 /nfs/dbraw/zinc/00/66/44/562006644.db2.gz KWSJOTBMCRIBJI-UHFFFAOYSA-N 1 1 537.678 6.307 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccc4oc3C(C)C)cc2)cc1OC ZINC000029216489 562006645 /nfs/dbraw/zinc/00/66/45/562006645.db2.gz KWSJOTBMCRIBJI-UHFFFAOYSA-N 1 1 537.678 6.307 1 0 KKAFMO O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1)Nc1ccccc1 ZINC000029340713 562015267 /nfs/dbraw/zinc/01/52/67/562015267.db2.gz QNJLXHAEXOQYAY-ZWXJPIIXSA-N 1 1 563.771 5.927 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2cn1 ZINC000029343727 562015869 /nfs/dbraw/zinc/01/58/69/562015869.db2.gz QXIZXTUHGDAAEB-IRRFQSKSSA-N 1 1 695.949 5.797 1 0 KKAFMO Cn1nnnc1-c1cc(NC(=O)NCCC[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2ccccc2)c1 ZINC000029395336 562018421 /nfs/dbraw/zinc/01/84/21/562018421.db2.gz QXDGJWGKNDYCKN-QHCPKHFHSA-N 1 1 527.648 5.150 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029466637 562024475 /nfs/dbraw/zinc/02/44/75/562024475.db2.gz MRONPHMQIPIYRP-VYZBCKGMSA-N 1 1 724.002 5.103 1 0 KKAFMO COc1ccc(-c2nc(SCCCCCn3c4ccccc4[nH+]c3Nc3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000029477541 562026649 /nfs/dbraw/zinc/02/66/49/562026649.db2.gz ZZVKYIORYKXMKZ-UHFFFAOYSA-N 1 1 589.765 8.817 1 0 KKAFMO Cc1c2c(c(C)c(O)c1C)[C@@H](C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000029560326 562032959 /nfs/dbraw/zinc/03/29/59/562032959.db2.gz FKTJGLWQLNELFW-ZTTWIXQWSA-N 1 1 522.667 5.439 1 0 KKAFMO CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCC1 ZINC000029484639 562027943 /nfs/dbraw/zinc/02/79/43/562027943.db2.gz VLMCGHLIULXVBE-CONSDPRKSA-N 1 1 535.773 5.698 1 0 KKAFMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(Cc2ccccc2)CC1)[N@@H+](C)C1CCCCC1 ZINC000029488876 562028940 /nfs/dbraw/zinc/02/89/40/562028940.db2.gz RCNIBMAQLZWNRG-UWXQCODUSA-N 1 1 638.897 6.317 1 0 KKAFMO COc1ccc(OCCC[N@@H+](CCOc2ccc3c(c2)OCO3)C(C)C)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551066 562030923 /nfs/dbraw/zinc/03/09/23/562030923.db2.gz LCYJTLRSGQLOLN-PMERELPUSA-N 1 1 564.704 5.792 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552334 562031340 /nfs/dbraw/zinc/03/13/40/562031340.db2.gz LBQWXRGNCPKOAP-PMERELPUSA-N 1 1 566.720 5.474 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029552338 562031386 /nfs/dbraw/zinc/03/13/86/562031386.db2.gz LBQWXRGNCPKOAP-SSEXGKCCSA-N 1 1 566.720 5.474 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029554685 562031810 /nfs/dbraw/zinc/03/18/10/562031810.db2.gz SILLYOVKLCANFF-SSEXGKCCSA-N 1 1 582.719 5.311 1 0 KKAFMO COCCNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc2ccccc2c1 ZINC000034576859 562039127 /nfs/dbraw/zinc/03/91/27/562039127.db2.gz YHEFEVGAPWSNHS-NYDCQLBNSA-N 1 1 524.661 5.503 1 0 KKAFMO COCCNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc2ccccc2c1 ZINC000034576859 562039128 /nfs/dbraw/zinc/03/91/28/562039128.db2.gz YHEFEVGAPWSNHS-NYDCQLBNSA-N 1 1 524.661 5.503 1 0 KKAFMO COCCNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc2ccccc2c1 ZINC000034576858 562039131 /nfs/dbraw/zinc/03/91/31/562039131.db2.gz YHEFEVGAPWSNHS-BHDXBOSCSA-N 1 1 524.661 5.503 1 0 KKAFMO COCCNC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc2ccccc2c1 ZINC000034576858 562039132 /nfs/dbraw/zinc/03/91/32/562039132.db2.gz YHEFEVGAPWSNHS-BHDXBOSCSA-N 1 1 524.661 5.503 1 0 KKAFMO CC(C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000033503568 562037407 /nfs/dbraw/zinc/03/74/07/562037407.db2.gz SGVAGNDDAYRYKV-PVTPYKNESA-N 1 1 517.739 5.738 1 0 KKAFMO Cn1ccnc1S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(C(F)(F)F)c4)c3c2)o1 ZINC000034800124 562040898 /nfs/dbraw/zinc/04/08/98/562040898.db2.gz AZDCMGDGNHSVCZ-UHFFFAOYSA-N 1 1 680.684 6.667 1 0 KKAFMO O=C1c2ccccc2S[C@H](c2c(Cl)cccc2Cl)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091173 562044762 /nfs/dbraw/zinc/04/47/62/562044762.db2.gz BVFMWFBPXXDDKN-RUZDIDTESA-N 1 1 514.865 7.554 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3N3CCCCC3)c3ccccc32)CC1 ZINC000036089404 562046905 /nfs/dbraw/zinc/04/69/05/562046905.db2.gz HQLVUJZOSDAHEZ-UHFFFAOYSA-N 1 1 529.088 5.453 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c3ccccc32)CC1 ZINC000036089495 562047022 /nfs/dbraw/zinc/04/70/22/562047022.db2.gz OFDFSLKEZUMNQF-UHFFFAOYSA-N 1 1 580.014 5.667 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)c(F)c(F)c3F)c3ccc(Cl)cc32)CC1 ZINC000036089477 562047086 /nfs/dbraw/zinc/04/70/86/562047086.db2.gz XODYFOOKKAGIOI-UHFFFAOYSA-N 1 1 552.359 5.672 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3NC3CCCCC3)c3ccccc32)CC1 ZINC000036089454 562047097 /nfs/dbraw/zinc/04/70/97/562047097.db2.gz UBVIOCBVSSEHAS-UHFFFAOYSA-N 1 1 543.115 6.207 1 0 KKAFMO c1cc(N2CCC([NH+]3CCCCC3)CC2)cc2[nH]c(-c3n[nH]c4ccc(NCC5CCCCC5)cc43)nc12 ZINC000036176866 562049347 /nfs/dbraw/zinc/04/93/47/562049347.db2.gz HMKZBWZSRGIVPM-UHFFFAOYSA-N 1 1 511.718 6.553 1 0 KKAFMO COc1cccc(Oc2ccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)c1 ZINC000036241955 562052101 /nfs/dbraw/zinc/05/21/01/562052101.db2.gz JDUZSEINLGHJTH-UHFFFAOYSA-N 1 1 522.653 6.362 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccccc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331630 562056731 /nfs/dbraw/zinc/05/67/31/562056731.db2.gz APSMEWJRATXUIE-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccccc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331630 562056732 /nfs/dbraw/zinc/05/67/32/562056732.db2.gz APSMEWJRATXUIE-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccccc3OC)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331632 562056751 /nfs/dbraw/zinc/05/67/51/562056751.db2.gz WVZVBULMFDWEKC-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccccc3OC)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331632 562056753 /nfs/dbraw/zinc/05/67/53/562056753.db2.gz WVZVBULMFDWEKC-UHFFFAOYSA-N 1 1 552.696 6.596 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCOc3ccc(Cl)cc3)C2)C1 ZINC000036351483 562058380 /nfs/dbraw/zinc/05/83/80/562058380.db2.gz NEDFFGGGMNIQHU-VMPREFPWSA-N 1 1 629.123 6.377 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000036351494 562058567 /nfs/dbraw/zinc/05/85/67/562058567.db2.gz SKWFXNIWDGEMBS-BJKOFHAPSA-N 1 1 591.744 6.070 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@@H]2CC[C@]3(c4ccsc4)C[C@H]23)CC1 ZINC000036351614 562058859 /nfs/dbraw/zinc/05/88/59/562058859.db2.gz KUEKCOBCKTZYMK-GZGNHOFSSA-N 1 1 524.628 5.498 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000036378317 562059649 /nfs/dbraw/zinc/05/96/49/562059649.db2.gz XSULJBUFDAGKHO-HOFKKMOUSA-N 1 1 534.741 6.863 3 0 KKAFMO CC[C@H]1CN(c2ncc(-c3nnco3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000036488115 562060975 /nfs/dbraw/zinc/06/09/75/562060975.db2.gz IRFWKBVXRGRZHN-FQEVSTJZSA-N 1 1 519.452 5.143 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152412 562067261 /nfs/dbraw/zinc/06/72/61/562067261.db2.gz MSTVZNMCSCYCDP-UFCSOYEJSA-N 1 1 559.776 5.168 1 0 KKAFMO CN(C[C@@](C)(CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152411 562067281 /nfs/dbraw/zinc/06/72/81/562067281.db2.gz MSTVZNMCSCYCDP-INJYMACJSA-N 1 1 559.776 5.168 1 0 KKAFMO CC(C)NC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040394770 562074227 /nfs/dbraw/zinc/07/42/27/562074227.db2.gz WSYZPVUHMNOUKM-ONCRSHKTSA-N 1 1 507.505 7.172 1 0 KKAFMO C[N@@H+](CCOc1ccc(Br)cc1NC(=O)Cc1cccc2ccccc21)Cc1ccccc1 ZINC000040875110 562082061 /nfs/dbraw/zinc/08/20/61/562082061.db2.gz LKCADBHGVXHIJF-UHFFFAOYSA-N 1 1 503.440 6.294 1 0 KKAFMO COCCCn1c2ccc(C[N@@H+](C)C3CCCCC3)cc2nc1NC(=O)c1cccc(Br)c1 ZINC000040423635 562076326 /nfs/dbraw/zinc/07/63/26/562076326.db2.gz ACVANEVBTQGRLW-UHFFFAOYSA-N 1 1 513.480 5.852 1 0 KKAFMO CC(=O)O[C@@H](Cc1ccccc1)C[NH+]1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040430260 562076722 /nfs/dbraw/zinc/07/67/22/562076722.db2.gz UGEKBRAUIATXBS-PMERELPUSA-N 1 1 507.625 5.285 1 0 KKAFMO COc1cc2c(cc1OC)[C@H](c1ccccc1NCCOc1ccccc1)[N@@H+](CCOc1ccccc1)CC2 ZINC000040894605 562083024 /nfs/dbraw/zinc/08/30/24/562083024.db2.gz YVKMEOMVEXNHNK-XIFFEERXSA-N 1 1 524.661 6.221 1 0 KKAFMO COC(=O)[C@](CCCN1CC[NH+](Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895176 562083030 /nfs/dbraw/zinc/08/30/30/562083030.db2.gz GJNISUGDHSTIAF-MHZLTWQESA-N 1 1 501.509 5.422 1 0 KKAFMO O=C(NC1CCCCC1)c1ccc(F)c2c1C[C@H]([N@@H+](CCCc1c[nH]c3ccc(F)cc13)C1CCC1)CO2 ZINC000040937373 562085390 /nfs/dbraw/zinc/08/53/90/562085390.db2.gz VKLJOUGRSNUTNZ-DEOSSOPVSA-N 1 1 521.652 6.299 1 0 in-vitro KKAFMO C=CC(=O)O[C@@H](CCN1CC[NH+](CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 ZINC000040974822 562087085 /nfs/dbraw/zinc/08/70/85/562087085.db2.gz ABVNRCMHGLYMGT-PMERELPUSA-N 1 1 519.636 5.971 1 0 KKAFMO O=C1CCC[N@@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088217 /nfs/dbraw/zinc/08/82/17/562088217.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 1 1 580.773 5.964 1 0 KKAFMO O=C1CCC[N@H+]2[C@@H]3[C@@]4(C[C@@H]2CC1)CN1CC[C@H]4C(c2nccc4c5cc(O)ccc5[nH]c42)=C[C@@]3(O)CC/C=C\CCCC1 ZINC000042803504 562088218 /nfs/dbraw/zinc/08/82/18/562088218.db2.gz GNVMYASVHYRDQY-BHUZSFBASA-N 1 1 580.773 5.964 1 0 KKAFMO CC[C@H]1CCC[C@@H]([C@@H](C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3ccc[nH]3)c3cc[nH+]c(N)c3)c2)OCCO)CC1 ZINC000085631982 560067857 /nfs/dbraw/zinc/06/78/57/560067857.db2.gz QJCLHOOILDNCRG-WYOKOLQZSA-N 1 1 592.801 5.946 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@]3(CCCC4(CCCC4)C3)C[N@H+]3[C@H]([C@@H](O)[C@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532330 560073020 /nfs/dbraw/zinc/07/30/20/560073020.db2.gz CJULYHCDODMXPM-KIPSNJRYSA-N 1 1 577.806 7.162 1 0 biogenic,in-vitro KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043122715 562646260 /nfs/dbraw/zinc/64/62/60/562646260.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(C[S@](=O)[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043122715 562646261 /nfs/dbraw/zinc/64/62/61/562646261.db2.gz RCEGLXVYHHYXSF-YSSLYXAMSA-N 1 1 510.744 6.321 1 0 KKAFMO C[N@@H+](Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052552 562651790 /nfs/dbraw/zinc/65/17/90/562651790.db2.gz MDLRAEPVBHKBOT-AREMUKBSSA-N 1 1 546.405 5.135 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C2)CCN1C ZINC000044306880 562653873 /nfs/dbraw/zinc/65/38/73/562653873.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 1 1 608.735 6.859 1 0 in-vivo KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CCN1C ZINC000044306880 562653874 /nfs/dbraw/zinc/65/38/74/562653874.db2.gz YJRWQNIRFXVBRB-URLMMPGGSA-N 1 1 608.735 6.859 1 0 in-vivo KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)ncn2)s1 ZINC000044351231 562654523 /nfs/dbraw/zinc/65/45/23/562654523.db2.gz GYHAPTAGIQVJLR-JOCHJYFZSA-N 1 1 598.651 6.582 1 0 KKAFMO CC[N@@H+](CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000044416752 562656979 /nfs/dbraw/zinc/65/69/79/562656979.db2.gz UPQMKAIHADRBKX-JOCHJYFZSA-N 1 1 568.187 5.988 1 0 KKAFMO CCCC[NH2+]CCN1CN(c2ccccc2)C2(CCN([C@H]3CCC(C)(C)c4cc(Cl)c(Cl)cc43)CC2)C1=O ZINC000044417317 562657116 /nfs/dbraw/zinc/65/71/16/562657116.db2.gz MEFGLNPAZYTMOF-NDEPHWFRSA-N 1 1 557.610 6.637 1 0 KKAFMO CCC[N@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4ccccc4C(N)=O)n3)c(C(F)(F)F)c2)C1 ZINC000044417572 562657130 /nfs/dbraw/zinc/65/71/30/562657130.db2.gz QCLCLBSPZZIVTH-UHFFFAOYSA-N 1 1 535.574 6.062 1 0 KKAFMO COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000044418380 562657297 /nfs/dbraw/zinc/65/72/97/562657297.db2.gz JOUKASPIRNRVDU-SANMLTNESA-N 1 1 556.426 6.936 1 0 KKAFMO CC(C)OC(=O)C1=CN(C(=O)c2ccc(OCCC[NH+]3CCOCC3)cc2)CC(C)(C)c2c3ccc(F)cc3[nH]c21 ZINC000044460365 562657946 /nfs/dbraw/zinc/65/79/46/562657946.db2.gz PIVQVFFIZHFKHL-UHFFFAOYSA-N 1 1 563.670 5.134 1 0 in-vitro KKAFMO C[N@@H+]([C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21)C1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000045167720 562658079 /nfs/dbraw/zinc/65/80/79/562658079.db2.gz FQOWQNGUWRKVAS-ZKEULCGYSA-N 1 1 543.752 6.473 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCOc2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1OC ZINC000045168638 562658146 /nfs/dbraw/zinc/65/81/46/562658146.db2.gz BLKQMXAHAGKFHQ-YBFXNURJSA-N 1 1 516.682 6.554 1 0 KKAFMO CC(C)(C[NH2+]Cc1cc(Cl)cc(Cl)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045188710 562658312 /nfs/dbraw/zinc/65/83/12/562658312.db2.gz RFYJBIAMIACESA-UHFFFAOYSA-N 1 1 517.848 5.849 1 0 KKAFMO FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cnccn6)CC5)cc4)cc3)[nH]c2c1 ZINC000045194142 562658748 /nfs/dbraw/zinc/65/87/48/562658748.db2.gz PULJRYWDZXWXFU-UHFFFAOYSA-N 1 1 514.555 6.028 1 0 KKAFMO COC(=O)c1cccc(C[NH2+]Cc2ccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)cc2)c1 ZINC000045201388 562659069 /nfs/dbraw/zinc/65/90/69/562659069.db2.gz LNOHPYFABWLRNJ-UHFFFAOYSA-N 1 1 515.535 6.992 1 0 KKAFMO COc1cc2c(c(Cl)c1OC)CC[N@@H+](Cc1ccccc1)C[C@H]2c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000045201382 562659078 /nfs/dbraw/zinc/65/90/78/562659078.db2.gz QQMFIUATCMBQRK-QFIPXVFZSA-N 1 1 518.963 6.048 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000045210703 562659317 /nfs/dbraw/zinc/65/93/17/562659317.db2.gz QOOXSJMYERMZSS-LOULHMMLSA-N 1 1 522.904 6.297 1 0 KKAFMO O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CC[NH+]2CCC(c3nc4ccc(O)cc4[nH]3)CC2)CC1 ZINC000045228687 562659492 /nfs/dbraw/zinc/65/94/92/562659492.db2.gz UVMNBMQAHZNMSN-QHHAFSJGSA-N 1 1 527.496 6.097 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000045230206 562659655 /nfs/dbraw/zinc/65/96/55/562659655.db2.gz NTJSOYUWJIZESR-HSZRJFAPSA-N 1 1 523.621 5.281 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000045303018 562660717 /nfs/dbraw/zinc/66/07/17/562660717.db2.gz WYDJYWOGADOEGJ-HSZRJFAPSA-N 1 1 523.621 5.281 1 0 KKAFMO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000045302825 562660738 /nfs/dbraw/zinc/66/07/38/562660738.db2.gz SMAYZCZQKATJKP-MOAIHYDFSA-N 1 1 527.496 5.342 1 0 KKAFMO C[NH+](C)CCCOc1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccc(Cl)c([O-])c3)c(-c3ccncc3)[nH]2)cc1 ZINC000045334512 562661272 /nfs/dbraw/zinc/66/12/72/562661272.db2.gz FBTZFNRQQIAKHT-UHFFFAOYSA-N 1 1 534.104 5.896 1 0 KKAFMO C[NH+](C)CCCOc1ccc(C[NH2+]CC(C)(C)c2nc(-c3ccncc3)c(-c3ccc(Cl)c([O-])c3)[nH]2)cc1 ZINC000045334512 562661273 /nfs/dbraw/zinc/66/12/73/562661273.db2.gz FBTZFNRQQIAKHT-UHFFFAOYSA-N 1 1 534.104 5.896 1 0 KKAFMO Cc1[nH]c2cc(Cl)ccc2c1C1=CC[N@@H+](CCN2CCOc3c(Br)cccc3C2=O)CC1 ZINC000045335034 562661317 /nfs/dbraw/zinc/66/13/17/562661317.db2.gz ZOMSOXGKTBRFBH-UHFFFAOYSA-N 1 1 514.851 5.516 1 0 KKAFMO C[C@@H](CCc1ccccc1)NC(=O)/C=C\C(=O)N1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045338441 562661474 /nfs/dbraw/zinc/66/14/74/562661474.db2.gz FZYZAZVPXUZVPL-BYCVKDJDSA-N 1 1 530.112 5.657 1 0 KKAFMO Cc1ccc(CNC(=O)CCC(=O)N2CCC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045386165 562662365 /nfs/dbraw/zinc/66/23/65/562662365.db2.gz OARSBEWSQQVEMU-PMERELPUSA-N 1 1 504.074 5.369 1 0 KKAFMO Cc1ccc(CNC(=O)CCC(=O)N2CCC[N@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045386165 562662366 /nfs/dbraw/zinc/66/23/66/562662366.db2.gz OARSBEWSQQVEMU-PMERELPUSA-N 1 1 504.074 5.369 1 0 KKAFMO C[C@@H](Oc1cc(-n2cnc3cc(SCCN4CC[NH+](C)CC4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000048307408 562663107 /nfs/dbraw/zinc/66/31/07/562663107.db2.gz AEJUGCKSWCWINC-GOSISDBHSA-N 1 1 556.157 5.319 1 0 KKAFMO O=C(CCCCC(c1ccccc1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049089939 562664458 /nfs/dbraw/zinc/66/44/58/562664458.db2.gz DNMNLRHDLUAUHW-UHFFFAOYSA-N 1 1 502.702 7.313 1 0 KKAFMO CCn1cncc1[C@]([NH2+]C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049115049 562664700 /nfs/dbraw/zinc/66/47/00/562664700.db2.gz VRGIJWMQZSGVFK-LJAQVGFWSA-N 1 1 517.460 6.240 1 0 KKAFMO Cn1c2ccccc2c2c1CC[N@H+](CC[C@@]1(c3ccc(Cl)c(Cl)c3)CN(C(=O)Cc3ccccc3)CCO1)C2 ZINC000049605011 562665246 /nfs/dbraw/zinc/66/52/46/562665246.db2.gz RJLGXVRLVXGYAW-YTTGMZPUSA-N 1 1 562.541 6.230 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605096 562665365 /nfs/dbraw/zinc/66/53/65/562665365.db2.gz MRYZOUPPHRSBHL-NTUHNPAUSA-N 1 1 585.498 6.942 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000049605171 562665463 /nfs/dbraw/zinc/66/54/63/562665463.db2.gz OYYMPUVUTLUQIO-WUXMJOGZSA-N 1 1 571.471 6.552 1 0 KKAFMO CC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000049605356 562665734 /nfs/dbraw/zinc/66/57/34/562665734.db2.gz GSNIRLNWFYLXHY-CWAYLNQUSA-N 1 1 563.742 7.145 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC1=NCCc2c3cc(OCc4ccccc4)ccc3[nH]c21 ZINC000049605356 562665735 /nfs/dbraw/zinc/66/57/35/562665735.db2.gz GSNIRLNWFYLXHY-CWAYLNQUSA-N 1 1 563.742 7.145 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605384 562665816 /nfs/dbraw/zinc/66/58/16/562665816.db2.gz HNSGUCXPDVWMRV-ZTOMLWHTSA-N 1 1 562.076 5.814 1 0 KKAFMO COc1ccc(C2CCN(CC[NH+]3CCC(NC(=O)c4ccc(-c5cccc(C(F)(F)F)c5C(F)(F)F)cc4)CC3)CC2)c(OC)c1 ZINC000049605570 562666041 /nfs/dbraw/zinc/66/60/41/562666041.db2.gz GQURRQVCXYIXPI-UHFFFAOYSA-N 1 1 663.703 7.482 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049605594 562666075 /nfs/dbraw/zinc/66/60/75/562666075.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 1 1 608.570 6.336 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049605594 562666076 /nfs/dbraw/zinc/66/60/76/562666076.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 1 1 608.570 6.336 1 0 KKAFMO CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049605594 562666077 /nfs/dbraw/zinc/66/60/77/562666077.db2.gz NIRYDTKBBUYYQK-HSZRJFAPSA-N 1 1 608.570 6.336 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1Cl)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605727 562666310 /nfs/dbraw/zinc/66/63/10/562666310.db2.gz FWOCVWATTUPVMG-UFYCRDLUSA-N 1 1 572.364 6.586 1 0 KKAFMO COC(=O)c1ccc(C[NH+]2CCC(N(Cc3cccc(Oc4ccccc4)c3)S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000049614024 562666533 /nfs/dbraw/zinc/66/65/33/562666533.db2.gz YEARKCDTIHYXCR-UHFFFAOYSA-N 1 1 627.763 6.079 1 0 KKAFMO COc1ccc([C@H]2CC[N@@H+](CCCCNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2)c(OC)c1 ZINC000049625713 562666837 /nfs/dbraw/zinc/66/68/37/562666837.db2.gz YGZHXPNLNQZMNK-QHCPKHFHSA-N 1 1 536.072 5.609 1 0 KKAFMO O=C(/C=C/c1ccc(C(F)(F)F)cc1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000049625961 562666909 /nfs/dbraw/zinc/66/69/09/562666909.db2.gz RPYFPONCOKUOBA-KPKJPENVSA-N 1 1 555.016 6.037 1 0 KKAFMO CC[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)CC[C@H]1CCCc1ccnc2ccc(OC(=O)c3ccccc3)cc12 ZINC000049626003 562666930 /nfs/dbraw/zinc/66/69/30/562666930.db2.gz AGMXRNYKUDRUDW-WUFINQPMSA-N 1 1 548.727 7.788 1 0 KKAFMO O=C(NCCCN(Cc1ccc(F)cc1)c1ccccn1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049626128 562666989 /nfs/dbraw/zinc/66/69/89/562666989.db2.gz VUVGCMQHDHNXBM-VQJSHJPSSA-N 1 1 667.829 7.628 1 0 KKAFMO COc1cc2[nH+]c(NCc3cccc(CNC(=O)c4ccc(-c5ccc(C(C)=O)cc5)cc4)c3)nc(N)c2cc1OC ZINC000049626123 562667006 /nfs/dbraw/zinc/66/70/06/562667006.db2.gz FKTGAMSTWHDWDP-UHFFFAOYSA-N 1 1 561.642 5.641 1 0 KKAFMO O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(c(-c3ccc(F)cc3)c1)CC[N@@H+](CC1CC1)CC2 ZINC000049626537 562667205 /nfs/dbraw/zinc/66/72/05/562667205.db2.gz AVWRJIXOQSKYLG-UHFFFAOYSA-N 1 1 576.133 7.369 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049626637 562667280 /nfs/dbraw/zinc/66/72/80/562667280.db2.gz SOBNIOXHKGHHSS-VQHVLOKHSA-N 1 1 586.391 7.230 1 0 KKAFMO COc1cc(C(=O)N2CCO[C@@](CC[N@H+]3CCc4c(c5ccccc5n4C)C3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000049626820 562667430 /nfs/dbraw/zinc/66/74/30/562667430.db2.gz VKBOHUOLSFEMDO-UUWRZZSWSA-N 1 1 638.592 6.327 1 0 KKAFMO COc1cc2[nH+]c(N3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)nc(N)c2cc1OC ZINC000049639172 562667647 /nfs/dbraw/zinc/66/76/47/562667647.db2.gz SHNIMDNPRGWJOD-UHFFFAOYSA-N 1 1 565.596 5.561 1 0 KKAFMO C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000049694839 562669882 /nfs/dbraw/zinc/66/98/82/562669882.db2.gz UPMQYWQRMYEQLV-NLGDKJDOSA-N 1 1 582.712 6.188 1 0 KKAFMO C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(C(=O)Nc2cccc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000049694839 562669883 /nfs/dbraw/zinc/66/98/83/562669883.db2.gz UPMQYWQRMYEQLV-NLGDKJDOSA-N 1 1 582.712 6.188 1 0 KKAFMO CCOP(=O)(OCC)[C@@H](NCCc1c[nH]c2ccccc12)c1ccc([C@@H]([NH2+]CCc2c[nH]c3ccccc23)P(=O)(OCC)OCC)cc1 ZINC000049708918 562671133 /nfs/dbraw/zinc/67/11/33/562671133.db2.gz GCQPKRXHOAIDEP-TYHGNQNSSA-N 1 1 694.750 8.843 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)cc1 ZINC000049722742 562672421 /nfs/dbraw/zinc/67/24/21/562672421.db2.gz TVOYCNZPGKHXCR-OAQYLSRUSA-N 1 1 537.648 5.528 1 0 KKAFMO CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)N[C@H]1CCN(Cc2ccc(I)c(OCC[NH+]3CCCC3)c2)C1 ZINC000049744816 562673466 /nfs/dbraw/zinc/67/34/66/562673466.db2.gz CCHSUWSKMASWKO-BDYUSTAISA-N 1 1 688.676 5.516 1 0 KKAFMO COc1ccc2[nH]cc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CCC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000049745384 562673869 /nfs/dbraw/zinc/67/38/69/562673869.db2.gz GVGVVFDFEQBKTI-KSULOFDMSA-N 1 1 566.573 7.536 1 0 KKAFMO CC(=O)c1cccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)C=Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000049746839 562674615 /nfs/dbraw/zinc/67/46/15/562674615.db2.gz MZUAXMSVXLUTKU-ZRDIBKRKSA-N 1 1 545.511 5.736 1 0 KKAFMO CN1CCN(Cc2ccc(NC(=O)OC[C@H](Oc3cccc4sc(C(N)=[NH2+])cc43)c3ccccc3)cc2)CC1 ZINC000049762223 562676424 /nfs/dbraw/zinc/67/64/24/562676424.db2.gz BNADKFGPICFCAD-SANMLTNESA-N 1 1 543.693 5.302 1 0 KKAFMO O=S(=O)(c1cccc2cccnc21)N(CCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1)CC1CCCCC1 ZINC000049767267 562677480 /nfs/dbraw/zinc/67/74/80/562677480.db2.gz RVRLBOIJZVWHOH-UHFFFAOYSA-N 1 1 575.606 6.325 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Oc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049767502 562677558 /nfs/dbraw/zinc/67/75/58/562677558.db2.gz RGGYJEYZTPRESN-UHFFFAOYSA-N 1 1 559.667 5.863 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@@H]4C[C@]4(c4ccc(Br)cc4)C3)n2C)n1 ZINC000049774660 562678716 /nfs/dbraw/zinc/67/87/16/562678716.db2.gz VUFRFPUOFHXBBM-CCLHPLFOSA-N 1 1 534.527 5.857 1 0 KKAFMO CCNc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 ZINC000049777684 562680398 /nfs/dbraw/zinc/68/03/98/562680398.db2.gz VHVPOXNMDWTTLR-DAANFHMWSA-N 1 1 539.715 5.057 1 0 KKAFMO CCOc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCCC[C@@H]3[C@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1 ZINC000049778085 562680891 /nfs/dbraw/zinc/68/08/91/562680891.db2.gz MZEIROPEHDVJSM-DAANFHMWSA-N 1 1 540.699 5.024 1 0 KKAFMO O=C(NN1c2ccc(Cl)cc2N=C(N2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)c2ccccc21)c1ccccc1Cl ZINC000049778139 562680971 /nfs/dbraw/zinc/68/09/71/562680971.db2.gz QECFHDSLXZOCHC-UHFFFAOYSA-N 1 1 640.493 7.585 1 0 KKAFMO CC(C)C(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)c([C@@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778146 562680977 /nfs/dbraw/zinc/68/09/77/562680977.db2.gz ZPOHWIIFZLLEPQ-XIFFEERXSA-N 1 1 643.800 7.972 1 0 KKAFMO O[C@@H](CO[C@H](c1ccccc1)c1cccc2ccccc21)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049780195 562681463 /nfs/dbraw/zinc/68/14/63/562681463.db2.gz ZUFUIYOZVFSEPX-PZSMLTKBSA-N 1 1 542.723 6.714 1 0 KKAFMO C[NH+](C)CC(=O)Nc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000049780503 562681814 /nfs/dbraw/zinc/68/18/14/562681814.db2.gz BIAGWLDERXRFAW-UHFFFAOYSA-N 1 1 558.564 5.835 1 0 KKAFMO O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCCc5[nH]cc[nH+]5)c4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049793277 562684701 /nfs/dbraw/zinc/68/47/01/562684701.db2.gz UVOURMTZWAHXDG-UHFFFAOYSA-N 1 1 582.590 6.497 1 0 KKAFMO S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC23CC4CC(CC(C4)C2)C3)C1=S ZINC000049793869 562685244 /nfs/dbraw/zinc/68/52/44/562685244.db2.gz YWMSOSPOLKIGPV-GUFIDOBTSA-N 1 1 732.120 7.594 1 0 KKAFMO COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c(O)c(OC)cc3c2C[C@H]2c4c(c(OC)c(OC)c(OC)c4-3)CCN2C)cc1 ZINC000049832998 562687410 /nfs/dbraw/zinc/68/74/10/562687410.db2.gz ASHXFBBPKYCWEY-VMPREFPWSA-N 1 1 668.787 6.457 1 0 KKAFMO COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)[NH2+]3)cc1 ZINC000049898208 562692309 /nfs/dbraw/zinc/69/23/09/562692309.db2.gz AXCYHHQCCRMLSZ-LHXZUMEBSA-N 1 1 678.657 6.525 1 0 KKAFMO COc1cc(N2CCC([N@H+]3CC[C@@H](F)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000049899482 562693161 /nfs/dbraw/zinc/69/31/61/562693161.db2.gz KTTFYLAOPGCPOV-HHHXNRCGSA-N 1 1 718.784 7.754 1 0 KKAFMO CC[N@H+]1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049908035 562693411 /nfs/dbraw/zinc/69/34/11/562693411.db2.gz BETUISKNIITDDN-JGCGQSQUSA-N 1 1 673.726 7.874 1 0 KKAFMO O=C(NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000049917558 562693538 /nfs/dbraw/zinc/69/35/38/562693538.db2.gz DPBDEJSHFAVZAV-SFTDATJTSA-N 1 1 603.488 6.781 1 0 KKAFMO O=C(Nc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(O)cc2)C1 ZINC000049917599 562693634 /nfs/dbraw/zinc/69/36/34/562693634.db2.gz JONSCBPGWJVBSH-GOJCVTOHSA-N 1 1 670.766 6.108 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000049917939 562694219 /nfs/dbraw/zinc/69/42/19/562694219.db2.gz OVOQKPVGHPMAAO-NRFANRHFSA-N 1 1 531.600 5.148 1 0 KKAFMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)ccc1O ZINC000049918012 562694337 /nfs/dbraw/zinc/69/43/37/562694337.db2.gz MJZMPGPUTMDZMW-FIBWVYCGSA-N 1 1 580.685 5.317 1 0 KKAFMO COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)Nc3ccc(Oc4ccccc4)cc3)C2)ccc1O ZINC000049918012 562694338 /nfs/dbraw/zinc/69/43/38/562694338.db2.gz MJZMPGPUTMDZMW-FIBWVYCGSA-N 1 1 580.685 5.317 1 0 KKAFMO CCCCN1C(=O)[C@@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1csc(-c3ccccc3)n1)CC2 ZINC000053243876 562696842 /nfs/dbraw/zinc/69/68/42/562696842.db2.gz UVHALJBNIXPOQC-RUZDIDTESA-N 1 1 508.732 5.242 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccc(Cl)c(Cl)c3)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000058475374 562697992 /nfs/dbraw/zinc/69/79/92/562697992.db2.gz AIYKBTXDRPARHM-MHZLTWQESA-N 1 1 671.474 6.315 1 0 KKAFMO COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000058482407 562698019 /nfs/dbraw/zinc/69/80/19/562698019.db2.gz XOQWEZVGZTXXBC-KHZGDVNHSA-N 1 1 531.737 5.287 1 0 KKAFMO COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1O)C[C@@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000058554957 562699267 /nfs/dbraw/zinc/69/92/67/562699267.db2.gz MNKMMHRKOKPHFM-URLMMPGGSA-N 1 1 668.787 6.457 1 0 KKAFMO CCCn1c(C)c(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccncc1 ZINC000058569116 562699544 /nfs/dbraw/zinc/69/95/44/562699544.db2.gz NWVMDLGDYVSADK-UHFFFAOYSA-N 1 1 514.501 5.517 1 0 KKAFMO CS(=O)(=O)NCCCn1c(C(=O)N2CCC(C(N)=O)([NH+]3CCC(F)(F)CC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058583366 562700088 /nfs/dbraw/zinc/70/00/88/562700088.db2.gz YHONTRPKANXJPY-UHFFFAOYSA-N 1 1 731.093 5.913 1 0 KKAFMO Cn1c(-c2ccc(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000058591158 562700421 /nfs/dbraw/zinc/70/04/21/562700421.db2.gz IGOHLNPBLAPCOP-UHFFFAOYSA-N 1 1 541.699 6.177 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@@H](Nc4nc(NC[C@H]5CCCO5)cc[nH+]4)C3)o1)C(C)(C)CCC2(C)C ZINC000058615679 562701074 /nfs/dbraw/zinc/70/10/74/562701074.db2.gz YZPUERUGSPVMHC-ONDZYYNLSA-N 1 1 613.847 7.309 1 0 KKAFMO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+]([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000058655409 562701355 /nfs/dbraw/zinc/70/13/55/562701355.db2.gz IVAGVKBJNJSFFA-CPJSRVTESA-N 1 1 525.878 5.109 1 0 KKAFMO O=C(NCc1cccnc1)[C@H]1CCC[N@H+]([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000058655409 562701356 /nfs/dbraw/zinc/70/13/56/562701356.db2.gz IVAGVKBJNJSFFA-CPJSRVTESA-N 1 1 525.878 5.109 1 0 KKAFMO COc1ccc(N2c3ccccc3C[N@H+](Cc3ccccc3)C[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921052 562703116 /nfs/dbraw/zinc/70/31/16/562703116.db2.gz ZZOLLJSJHAOYSU-MUUNZHRXSA-N 1 1 524.661 6.486 3 0 KKAFMO CCCCn1c2ccccc2c2cc(C[NH2+]CCN(CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447253 562705340 /nfs/dbraw/zinc/70/53/40/562705340.db2.gz RKMALPULVSQSRW-UHFFFAOYSA-N 1 1 518.702 6.114 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447410 562705391 /nfs/dbraw/zinc/70/53/91/562705391.db2.gz ULFBVDCNWCBUQT-UAUZOSSZSA-N 1 1 606.774 7.470 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2c1cc(F)ccc1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448388 562705479 /nfs/dbraw/zinc/70/54/79/562705479.db2.gz TUDBQXAJQWDULL-PTLVVNQVSA-N 1 1 515.596 5.948 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)c2nnco2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064527767 562707156 /nfs/dbraw/zinc/70/71/56/562707156.db2.gz OJUNTGQGOBJANH-ZWEKWIFMSA-N 1 1 611.177 7.149 1 0 KKAFMO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073945 562709643 /nfs/dbraw/zinc/70/96/43/562709643.db2.gz HGSQOYNWHXVVJS-JGCGQSQUSA-N 1 1 592.788 5.610 1 0 KKAFMO CCC[N@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OCc2cn(CCCN4CCN(c5ccccc5OC)CC4)nn2)c1-3 ZINC000066073945 562709644 /nfs/dbraw/zinc/70/96/44/562709644.db2.gz HGSQOYNWHXVVJS-JGCGQSQUSA-N 1 1 592.788 5.610 1 0 KKAFMO CC(c1ccccc1)(c1ccc(NC(=O)CN2CCCC2)cc1)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000066098776 562711025 /nfs/dbraw/zinc/71/10/25/562711025.db2.gz QRFFLZSRZNHZDM-UHFFFAOYSA-N 1 1 510.682 5.110 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000066165849 562714018 /nfs/dbraw/zinc/71/40/18/562714018.db2.gz IYHPIUZHKVLRCJ-ZRLASMASSA-N 1 1 541.692 5.054 3 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCCOc2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000066251269 562714424 /nfs/dbraw/zinc/71/44/24/562714424.db2.gz PMJBVBFVYDDZBH-UHFFFAOYSA-N 1 1 526.722 5.489 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252381 562714739 /nfs/dbraw/zinc/71/47/39/562714739.db2.gz REHLUJGIPSUOJK-ICRWXIRGSA-N 1 1 613.496 5.225 1 0 KKAFMO CN1c2nn(Cc3ccc(C[NH+]4CCOCC4)cc3)cc2C(=O)N(c2ccccc2)c2cc(Cl)ccc21 ZINC000066252839 562714968 /nfs/dbraw/zinc/71/49/68/562714968.db2.gz VKALDCMAEMVTMA-UHFFFAOYSA-N 1 1 514.029 5.477 1 0 KKAFMO CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CC[N@@H+](CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000068087551 562715771 /nfs/dbraw/zinc/71/57/71/562715771.db2.gz HGMNTONUIRWZDC-LHEWISCISA-N 1 1 654.775 5.305 1 0 KKAFMO COC(=O)[C@H](c1ccccc1)[NH+]1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000068199992 562715968 /nfs/dbraw/zinc/71/59/68/562715968.db2.gz WSYALRNYQFNNGP-HKBQPEDESA-N 1 1 572.627 7.718 1 0 in-man KKAFMO CCc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000071280569 562716565 /nfs/dbraw/zinc/71/65/65/562716565.db2.gz CUMDMOOQNRMOBT-BETPUDKTSA-N 1 1 546.759 7.031 1 0 KKAFMO CCC[N@H+]1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296833 562717600 /nfs/dbraw/zinc/71/76/00/562717600.db2.gz CRNOHPGCPLJAOD-GFUPRDBPSA-N 1 1 503.771 7.454 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296987 562717712 /nfs/dbraw/zinc/71/77/12/562717712.db2.gz GXZNBYLIQYWZLV-BKMJKUGQSA-N 1 1 509.046 5.653 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071317084 562718084 /nfs/dbraw/zinc/71/80/84/562718084.db2.gz LLWKBGRAWPNWFD-WIOPSUGQSA-N 1 1 520.073 6.133 1 0 KKAFMO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000071317084 562718085 /nfs/dbraw/zinc/71/80/85/562718085.db2.gz LLWKBGRAWPNWFD-WIOPSUGQSA-N 1 1 520.073 6.133 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000071317084 562718086 /nfs/dbraw/zinc/71/80/86/562718086.db2.gz LLWKBGRAWPNWFD-WIOPSUGQSA-N 1 1 520.073 6.133 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071329657 562718972 /nfs/dbraw/zinc/71/89/72/562718972.db2.gz SPZVGUOPAIQFIW-XUZZJYLKSA-N 1 1 506.046 5.743 1 0 KKAFMO COc1ccc([C@H]2C[N@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000071329657 562718973 /nfs/dbraw/zinc/71/89/73/562718973.db2.gz SPZVGUOPAIQFIW-XUZZJYLKSA-N 1 1 506.046 5.743 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000071329657 562718974 /nfs/dbraw/zinc/71/89/74/562718974.db2.gz SPZVGUOPAIQFIW-XUZZJYLKSA-N 1 1 506.046 5.743 1 0 KKAFMO COc1ccc(CC[N@H+]2C[C@H](CNC(=O)c3cccc(Cl)c3)[C@@H](c3ccccc3OC)C2)cc1OC ZINC000071329685 562718980 /nfs/dbraw/zinc/71/89/80/562718980.db2.gz MSCPVCCJMDVFEH-DHLKQENFSA-N 1 1 509.046 5.054 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072104279 562720443 /nfs/dbraw/zinc/72/04/43/562720443.db2.gz LYMUYLCMDRKWKZ-YZZMFXRHSA-N 1 1 601.791 7.002 3 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072106407 562720994 /nfs/dbraw/zinc/72/09/94/562720994.db2.gz HZZFLILZNZMXDF-UHFFFAOYSA-N 1 1 572.537 5.153 1 0 KKAFMO CCN(C)C(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110104 562721723 /nfs/dbraw/zinc/72/17/23/562721723.db2.gz TZEYDLFBHODDKD-GKRYNVPLSA-N 1 1 628.248 7.293 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(S(=O)(=O)c6ccccc6C(F)(F)F)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072110906 562721847 /nfs/dbraw/zinc/72/18/47/562721847.db2.gz YNONRMQMNLROCI-DVXVSMJQSA-N 1 1 596.756 5.355 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CC[C@@H](O)C2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072111001 562721879 /nfs/dbraw/zinc/72/18/79/562721879.db2.gz WJOOVZMVFYNXBU-LRJWDFOKSA-N 1 1 656.258 6.408 1 0 KKAFMO c1ccc2c(c1)Cc1c-2nc2ccccc2c1NCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000072113148 562722248 /nfs/dbraw/zinc/72/22/48/562722248.db2.gz CYAYCBCGPZWTLM-UHFFFAOYSA-N 1 1 526.728 8.708 1 0 KKAFMO O=C1c2c3occc3c3ccsc3c2C(=O)N1CCNCCC[NH2+]CCN1C(=O)c2c3occc3c3ccsc3c2C1=O ZINC000072113351 562722316 /nfs/dbraw/zinc/72/23/16/562722316.db2.gz CYSKLMBBXZIUKF-UHFFFAOYSA-N 1 1 612.689 5.070 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113402 562722341 /nfs/dbraw/zinc/72/23/41/562722341.db2.gz AMSJSZPDCWXZJX-RYWJELEGSA-N 1 1 504.719 5.904 1 0 KKAFMO CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc(Nc5cc(N6CC[NH2+]CC6)nc(C)n5)cn4)c3)cc2C(F)(F)F)CC1 ZINC000072119056 562723797 /nfs/dbraw/zinc/72/37/97/562723797.db2.gz NDKGCIDWMFLFCL-JXMROGBWSA-N 1 1 700.814 5.616 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072120607 562724085 /nfs/dbraw/zinc/72/40/85/562724085.db2.gz IYJRQNXFGXVMAT-QRIZJJBVSA-N 1 1 704.022 6.326 3 0 KKAFMO COc1ccc(-n2nc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(C)cc2)nn1 ZINC000072121465 562724272 /nfs/dbraw/zinc/72/42/72/562724272.db2.gz JORUVPQQMNYSPK-UHFFFAOYSA-N 1 1 552.723 5.221 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123704 562724854 /nfs/dbraw/zinc/72/48/54/562724854.db2.gz NFGNNHZUGBVANR-SPWOZAQASA-N 1 1 720.021 6.031 3 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1 ZINC000072123721 562724894 /nfs/dbraw/zinc/72/48/94/562724894.db2.gz MEAVCUVGGFTUOL-OFKCIZEBSA-N 1 1 659.728 7.501 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000072127637 562725708 /nfs/dbraw/zinc/72/57/08/562725708.db2.gz WZRJGOIAGUHCGN-BCRFLOQVSA-N 1 1 653.529 7.008 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127659 562725742 /nfs/dbraw/zinc/72/57/42/562725742.db2.gz KDYSWVIVVGBOTF-KWRMZWAXSA-N 1 1 686.004 5.835 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127733 562725880 /nfs/dbraw/zinc/72/58/80/562725880.db2.gz IXGXEPVYDMHUEI-HQPLKVBUSA-N 1 1 742.068 6.465 3 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072128663 562726203 /nfs/dbraw/zinc/72/62/03/562726203.db2.gz WTOYNTRHIJDKLN-XDWGWCSASA-N 1 1 659.805 5.640 3 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072128663 562726204 /nfs/dbraw/zinc/72/62/04/562726204.db2.gz WTOYNTRHIJDKLN-XDWGWCSASA-N 1 1 659.805 5.640 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)cc2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129849 562726502 /nfs/dbraw/zinc/72/65/02/562726502.db2.gz ALRLDFZCRHXLMW-ULJKERAFSA-N 1 1 680.702 6.731 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134197 562727275 /nfs/dbraw/zinc/72/72/75/562727275.db2.gz UHQCOWSGJCJWSA-BQYLNSIHSA-N 1 1 712.042 6.369 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134885 562727392 /nfs/dbraw/zinc/72/73/92/562727392.db2.gz GSEAIWAWPQWVOK-ZYADHFCISA-N 1 1 730.057 6.233 3 0 KKAFMO CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000072135053 562727483 /nfs/dbraw/zinc/72/74/83/562727483.db2.gz NKJVEESZKXXZFT-TXHDDHBJSA-N 1 1 650.783 6.163 3 0 KKAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2cccc3ccccc32)CC1 ZINC000072135946 562727659 /nfs/dbraw/zinc/72/76/59/562727659.db2.gz GBFRQWXGVGPRGD-WFNLQYPOSA-N 1 1 500.650 5.295 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137487 562728220 /nfs/dbraw/zinc/72/82/20/562728220.db2.gz RZTCCTLWYPHIEV-WISKXVKBSA-N 1 1 676.053 6.857 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2cccc(F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072142382 562729517 /nfs/dbraw/zinc/72/95/17/562729517.db2.gz GFQKDUOYURHVMT-ZRLASMASSA-N 1 1 543.683 5.474 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072162121 562730196 /nfs/dbraw/zinc/73/01/96/562730196.db2.gz MGGHUDXSRZOVRJ-ZVBBVAIHSA-N 1 1 715.147 7.385 1 0 KKAFMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c(C(F)(F)F)c2)cc1 ZINC000072172078 562730609 /nfs/dbraw/zinc/73/06/09/562730609.db2.gz FTBIWTZHVVOHDN-JGCGQSQUSA-N 1 1 642.673 5.835 1 0 KKAFMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173159 562730825 /nfs/dbraw/zinc/73/08/25/562730825.db2.gz LREBZSFQVNJDOZ-KSXZBKJASA-N 1 1 547.696 5.251 1 0 KKAFMO O=C(Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl ZINC000072175498 562731351 /nfs/dbraw/zinc/73/13/51/562731351.db2.gz NHDWFXLZUDERSO-NDEPHWFRSA-N 1 1 655.455 5.844 1 0 KKAFMO COc1cc2c(cc1OCCCC[NH+]1CCN(CCCCn3c4ccccc4c4ccccc43)CC1)N=C[C@@H]1CCCN1C2=O ZINC000072317213 562733158 /nfs/dbraw/zinc/73/31/58/562733158.db2.gz OIZRASSZMCQBRV-NDEPHWFRSA-N 1 1 607.799 6.381 1 0 KKAFMO O=C(NC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1c1ccccc1F ZINC000072318475 562733293 /nfs/dbraw/zinc/73/32/93/562733293.db2.gz PLVLBDZMRYQTDG-IEUSDUHPSA-N 1 1 508.584 5.594 1 0 KKAFMO CN1CC[NH+](CCCNc2nccc(-c3c4ccc(C(F)(F)F)cn4nc3-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073292280 562737507 /nfs/dbraw/zinc/73/75/07/562737507.db2.gz NSYDPJXKRVPARU-UHFFFAOYSA-N 1 1 563.550 5.545 1 0 KKAFMO COc1cc2ccc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000073390986 562738648 /nfs/dbraw/zinc/73/86/48/562738648.db2.gz PQJUAFOFVNRFTF-WUFINQPMSA-N 1 1 576.693 6.831 1 0 KKAFMO COc1cc(Oc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082137960 562739053 /nfs/dbraw/zinc/73/90/53/562739053.db2.gz FMMGEWPMVFMHDR-UHFFFAOYSA-N 1 1 646.515 6.830 1 0 KKAFMO Cc1cc(Oc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082137959 562739059 /nfs/dbraw/zinc/73/90/59/562739059.db2.gz HPYVPUBFNFTSRZ-UHFFFAOYSA-N 1 1 630.516 7.129 1 0 KKAFMO CC[NH+]1CCN(C[C@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157518 562740927 /nfs/dbraw/zinc/74/09/27/562740927.db2.gz UUJNEICCDMYHRP-LDNVYYCDSA-N 1 1 705.889 5.419 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164708 562741178 /nfs/dbraw/zinc/74/11/78/562741178.db2.gz SZDNRBMQYZRUIM-AFPLUKJUSA-N 1 1 691.862 5.110 1 0 KKAFMO COc1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000084466484 562743238 /nfs/dbraw/zinc/74/32/38/562743238.db2.gz CCAKCPJSKBQNCZ-UHFFFAOYSA-N 1 1 503.524 6.718 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(F)cc2)n1 ZINC000084596536 562743715 /nfs/dbraw/zinc/74/37/15/562743715.db2.gz IMIUVJGRGRFANP-IZZNHLLZSA-N 1 1 524.631 5.818 1 0 KKAFMO CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCCNc4c5ccccc5[nH+]c5c4CCCC5)c3[C@@H](C1)C2 ZINC000084596728 562743802 /nfs/dbraw/zinc/74/38/02/562743802.db2.gz SWOKEIJMLYUVPF-WDYNHAJCSA-N 1 1 621.313 10.956 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(Cl)cc2C)n1 ZINC000084618022 562745021 /nfs/dbraw/zinc/74/50/21/562745021.db2.gz YRHPPMMDYQCAKS-IZZNHLLZSA-N 1 1 555.113 6.641 1 0 KKAFMO C[NH+]1CCN(c2ccc(Nc3nc(-c4ccc(F)c(Cl)c4)cc(-c4ccc(F)c(Cl)c4)n3)cc2F)CC1 ZINC000084632016 562745406 /nfs/dbraw/zinc/74/54/06/562745406.db2.gz AGRISABMTIRPNL-UHFFFAOYSA-N 1 1 544.408 7.030 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCC[C@@H](C)CNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084620085 562745419 /nfs/dbraw/zinc/74/54/19/562745419.db2.gz TUCSCEDFAQXZCW-LJQANCHMSA-N 1 1 518.061 6.771 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(Cc2ccccc2)n1 ZINC000084633510 562745735 /nfs/dbraw/zinc/74/57/35/562745735.db2.gz RRCOLRWNEODLST-IZZNHLLZSA-N 1 1 521.656 5.133 1 0 KKAFMO CCOC(=O)c1c(C)nc(NCCCCCCCCCCCCNc2cc[nH+]c3cc(Cl)ccc23)nc1-c1ccccc1 ZINC000084633865 562745770 /nfs/dbraw/zinc/74/57/70/562745770.db2.gz DIKQKOBULTWMSF-UHFFFAOYSA-N 1 1 602.223 9.255 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000084670492 562748282 /nfs/dbraw/zinc/74/82/82/562748282.db2.gz MJJXCIAWUYSLTC-IAYPMUAMSA-N 1 1 634.793 6.397 1 0 KKAFMO O=C(CN1CCCC1)Nc1cccc(-n2cc(-c3ccc4ccc(-c5cn(-c6cccc(NC(=O)C[NH+]7CCCC7)c6)nn5)cc4c3)nn2)c1 ZINC000084688337 562749159 /nfs/dbraw/zinc/74/91/59/562749159.db2.gz AKJFTBQRELUULK-UHFFFAOYSA-N 1 1 666.790 5.404 1 0 KKAFMO COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000084688800 562749261 /nfs/dbraw/zinc/74/92/61/562749261.db2.gz WLLDCVHJRCZONV-PMERELPUSA-N 1 1 529.706 6.633 1 0 KKAFMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690063 562749477 /nfs/dbraw/zinc/74/94/77/562749477.db2.gz PWPZLEJFRYZEQC-HPJLMOCUSA-N 1 1 590.712 5.639 1 0 KKAFMO Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)[N@H+](CC2CCC2)CC4)cc1 ZINC000095536784 562754106 /nfs/dbraw/zinc/75/41/06/562754106.db2.gz KDCJWNPHQQJZSG-RRKBCBNCSA-N 1 1 742.527 8.961 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)CC[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)C2 ZINC000095548750 562759478 /nfs/dbraw/zinc/75/94/78/562759478.db2.gz FKTHCDIXZKIHTP-UHFFFAOYSA-N 1 1 776.887 6.194 1 0 KKAFMO C[NH+]1CCN(c2cc3c(cc2Cl)CCN3C(=O)Nc2cc(OC(F)(F)F)cc(-c3cccnc3)c2)CC1 ZINC000095553802 562761025 /nfs/dbraw/zinc/76/10/25/562761025.db2.gz QRIJCCNAKWXNBU-UHFFFAOYSA-N 1 1 531.966 5.647 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095555290 562761521 /nfs/dbraw/zinc/76/15/21/562761521.db2.gz MKTHBPVJDYVDBH-UHFFFAOYSA-N 1 1 556.053 7.223 1 0 KKAFMO Clc1cccc([C@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(CN3CCOCC3)c(Cl)c2)c1 ZINC000095556916 562761937 /nfs/dbraw/zinc/76/19/37/562761937.db2.gz DCINFVNJKNZNQQ-MHZLTWQESA-N 1 1 512.868 7.229 1 0 KKAFMO COc1ccccc1N1CCN(Cc2cc(C[NH+]3CCN(c4ccccc4OC)CC3)c3cccccc2-3)CC1 ZINC000095560318 562763015 /nfs/dbraw/zinc/76/30/15/562763015.db2.gz HVGNYVOUQOKFLU-UHFFFAOYSA-N 1 1 536.720 5.453 1 0 KKAFMO COc1ccc(-c2ccc(CCNC(=O)c3ccc4c(c3)[C@@]3(C)CC[N@@H+](CC5CC5)[C@@H](C4)[C@@H]3C)cc2)cc1C ZINC000095564102 562764174 /nfs/dbraw/zinc/76/41/74/562764174.db2.gz UYSKQJRXYUOGNB-YKZWVJOCSA-N 1 1 522.733 6.577 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095566271 562764873 /nfs/dbraw/zinc/76/48/73/562764873.db2.gz ACSVFUACEODJDN-UNTHUGQZSA-N 1 1 594.712 5.478 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566497 562764991 /nfs/dbraw/zinc/76/49/91/562764991.db2.gz URAPLHCKRADHID-XMERXJNXSA-N 1 1 626.701 5.920 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566508 562765102 /nfs/dbraw/zinc/76/51/02/562765102.db2.gz MLNWPGCJBNVZPL-CBUPUIKESA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566508 562765103 /nfs/dbraw/zinc/76/51/03/562765103.db2.gz MLNWPGCJBNVZPL-CBUPUIKESA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566900 562765377 /nfs/dbraw/zinc/76/53/77/562765377.db2.gz WPPOVSPAEBFYOJ-RDXDNIQESA-N 1 1 652.748 6.204 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)[C@@H](C)CN([C@H](C)CO)C2=O ZINC000095567117 562765547 /nfs/dbraw/zinc/76/55/47/562765547.db2.gz RQWZPZKMXFSKNS-YYULODDRSA-N 1 1 603.642 5.306 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567386 562765753 /nfs/dbraw/zinc/76/57/53/562765753.db2.gz OFYJPRSBIVOGOZ-RLCGNTSFSA-N 1 1 666.663 6.649 1 0 KKAFMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000095567402 562765760 /nfs/dbraw/zinc/76/57/60/562765760.db2.gz FLBZPAITCNSQLU-AMGIVPHBSA-N 1 1 550.103 5.439 1 0 KKAFMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000095567402 562765761 /nfs/dbraw/zinc/76/57/61/562765761.db2.gz FLBZPAITCNSQLU-AMGIVPHBSA-N 1 1 550.103 5.439 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)NC3CCCCC3)cccc2C1=O ZINC000095567435 562765817 /nfs/dbraw/zinc/76/58/17/562765817.db2.gz NHGHJDDGJPIKGB-FYQCMVGJSA-N 1 1 590.687 5.512 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095567661 562765945 /nfs/dbraw/zinc/76/59/45/562765945.db2.gz LFZLAWVTNRSJHJ-MJZSVGSSSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095567756 562766041 /nfs/dbraw/zinc/76/60/41/562766041.db2.gz HLJJEFQTBOXRLT-CUBHQPEVSA-N 1 1 644.816 6.379 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095567855 562766101 /nfs/dbraw/zinc/76/61/01/562766101.db2.gz ACSVFUACEODJDN-CAHKVJEUSA-N 1 1 594.712 5.478 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567864 562766144 /nfs/dbraw/zinc/76/61/44/562766144.db2.gz YPKBHAMQCQAOQB-FZLAZKPRSA-N 1 1 732.804 6.465 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567933 562766163 /nfs/dbraw/zinc/76/61/63/562766163.db2.gz MNZYSAQRTSNRPQ-JQASONJCSA-N 1 1 664.224 6.285 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567933 562766164 /nfs/dbraw/zinc/76/61/64/562766164.db2.gz MNZYSAQRTSNRPQ-JQASONJCSA-N 1 1 664.224 6.285 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567974 562766200 /nfs/dbraw/zinc/76/62/00/562766200.db2.gz YUKCNNACWFASQX-HNPLUWAHSA-N 1 1 628.648 5.430 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568024 562766210 /nfs/dbraw/zinc/76/62/10/562766210.db2.gz YPKBHAMQCQAOQB-ZENPUIFLSA-N 1 1 732.804 6.465 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568409 562766619 /nfs/dbraw/zinc/76/66/19/562766619.db2.gz GEPWAINBAFOOPW-NVOANOBXSA-N 1 1 613.799 6.279 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095568400 562766625 /nfs/dbraw/zinc/76/66/25/562766625.db2.gz KPNIWBUOMWGGPJ-TWVHRYOLSA-N 1 1 698.692 6.455 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095568427 562766643 /nfs/dbraw/zinc/76/66/43/562766643.db2.gz SWHQDKJXWQFGPY-CZPUGAFSSA-N 1 1 643.568 5.647 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568957 562767046 /nfs/dbraw/zinc/76/70/46/562767046.db2.gz IXNRSUPNSZLJQC-YXFUQEGNSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095569035 562767103 /nfs/dbraw/zinc/76/71/03/562767103.db2.gz QLYAZMSBNLAUET-GOFIJKOKSA-N 1 1 692.842 5.735 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095569179 562767238 /nfs/dbraw/zinc/76/72/38/562767238.db2.gz VYCOOHAMPRTWAW-VEFCPFGPSA-N 1 1 719.927 6.745 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095569250 562767320 /nfs/dbraw/zinc/76/73/20/562767320.db2.gz GCNTVXNBVJIYRL-PHLCOOFXSA-N 1 1 580.729 5.765 1 0 KKAFMO 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)NC3CCCCC3)cc2C1=O ZINC000095569264 562767351 /nfs/dbraw/zinc/76/73/51/562767351.db2.gz ZGZURALGAMDSDO-DOKVQHETSA-N 1 1 690.848 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095569391 562767401 /nfs/dbraw/zinc/76/74/01/562767401.db2.gz FKBDGSUSUALVGO-AXHSOIPPSA-N 1 1 674.842 6.433 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095569493 562767446 /nfs/dbraw/zinc/76/74/46/562767446.db2.gz YUKCNNACWFASQX-JVAKCPTJSA-N 1 1 628.648 5.430 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)[N@@H+](CCc2ccccc2)C[C@@H]1C ZINC000095569934 562767819 /nfs/dbraw/zinc/76/78/19/562767819.db2.gz ONZMGLOOFFOJCP-FVBCXUTKSA-N 1 1 550.744 5.190 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570886 562768564 /nfs/dbraw/zinc/76/85/64/562768564.db2.gz RKBLFXPXPCVUTN-SFXKCFQESA-N 1 1 662.252 6.089 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095570953 562768691 /nfs/dbraw/zinc/76/86/91/562768691.db2.gz DOYVPIVJJALYPS-IHMCZWCLSA-N 1 1 604.714 6.011 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571328 562768966 /nfs/dbraw/zinc/76/89/66/562768966.db2.gz ZMUNMDKTHUEIDP-SFXKCFQESA-N 1 1 645.797 5.575 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095571316 562768970 /nfs/dbraw/zinc/76/89/70/562768970.db2.gz NKYSZIASVRRVQA-QQJQPJPWSA-N 1 1 705.900 6.816 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCc5ccccc5)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000095571685 562769216 /nfs/dbraw/zinc/76/92/16/562769216.db2.gz CUQFOTQJZNKDLP-LMUOQGPPSA-N 1 1 577.124 7.031 1 0 KKAFMO C[N@H+]1C[C@H](C(=O)Nc2ccc(F)c(Br)c2)[C@@H](c2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)C1 ZINC000095578219 562771208 /nfs/dbraw/zinc/77/12/08/562771208.db2.gz FEXJIPJGMAGXEC-SPHVMLLUSA-N 1 1 537.433 5.106 1 0 KKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2cccc3ccccc32)cc1)Cc1ccccc1 ZINC000095579519 562771577 /nfs/dbraw/zinc/77/15/77/562771577.db2.gz NYQBQOPAOPOYLH-UHFFFAOYSA-N 1 1 581.756 9.945 1 0 KKAFMO COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000095579807 562771634 /nfs/dbraw/zinc/77/16/34/562771634.db2.gz JGXVOAQWJQPIDB-HSTAETNISA-N 1 1 548.768 5.646 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC1CCCCC1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000095586470 562773926 /nfs/dbraw/zinc/77/39/26/562773926.db2.gz GQUAAJHEELJJGV-PPMCTTEPSA-N 1 1 507.715 5.338 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(C)cn3c2NC(C)C)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095589404 562774919 /nfs/dbraw/zinc/77/49/19/562774919.db2.gz IGFFMDNYUBMBLG-UHFFFAOYSA-N 1 1 555.601 6.748 1 0 KKAFMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095589556 562774986 /nfs/dbraw/zinc/77/49/86/562774986.db2.gz JOJGUPXVZUGZQN-UHFFFAOYSA-N 1 1 611.665 7.552 1 0 KKAFMO CCc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c(C)n[nH]c21 ZINC000095591009 562775426 /nfs/dbraw/zinc/77/54/26/562775426.db2.gz BMBUNRAVRJCKBO-XIFFEERXSA-N 1 1 654.860 5.043 1 0 KKAFMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095591252 562775591 /nfs/dbraw/zinc/77/55/91/562775591.db2.gz ANHVITAFMZYAJC-UHFFFAOYSA-N 1 1 595.666 7.672 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)C[N@@H+](Cc1ccc(-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095591416 562775616 /nfs/dbraw/zinc/77/56/16/562775616.db2.gz AJXVQXUPENYTDG-UHFFFAOYSA-N 1 1 719.835 6.566 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ccccc2n1 ZINC000095592186 562775884 /nfs/dbraw/zinc/77/58/84/562775884.db2.gz LNCUOIFARAALBE-UHFFFAOYSA-N 1 1 587.676 6.516 1 0 KKAFMO CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCC[N@H+](C)C4CCCCC4)c(C)c3oc2=O)ccc1O ZINC000095594437 562776488 /nfs/dbraw/zinc/77/64/88/562776488.db2.gz USWQFJPYJGNIBZ-UHFFFAOYSA-N 1 1 532.681 6.601 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598758 562777469 /nfs/dbraw/zinc/77/74/69/562777469.db2.gz ILRCCMQCDZZMAZ-XFBASLRHSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095598718 562777523 /nfs/dbraw/zinc/77/75/23/562777523.db2.gz GQVRJEGSXSCMGQ-DSRMTXSPSA-N 1 1 650.780 5.517 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095599218 562777853 /nfs/dbraw/zinc/77/78/53/562777853.db2.gz IVGISJLMDFIDFY-NOMHHCBYSA-N 1 1 590.687 6.082 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599224 562777869 /nfs/dbraw/zinc/77/78/69/562777869.db2.gz UFTUBZJHXRESLK-IFGDVQFWSA-N 1 1 724.723 6.861 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599262 562777959 /nfs/dbraw/zinc/77/79/59/562777959.db2.gz ZKPAWGOFKUDAFA-WCPDHXNLSA-N 1 1 685.788 6.672 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599340 562777980 /nfs/dbraw/zinc/77/79/80/562777980.db2.gz QMCFBRPLMVFDBX-QZCKSCMDSA-N 1 1 740.285 7.087 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778022 /nfs/dbraw/zinc/77/80/22/562778022.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N 1 1 620.599 5.075 1 0 KKAFMO COc1ccc(N2c3ccccc3C[N@H+](Cc3ccccc3)[C@@H](C)[C@H]2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000095599343 562778030 /nfs/dbraw/zinc/77/80/30/562778030.db2.gz RODVYEFULQJVLM-VWLRAHFJSA-N 1 1 524.708 8.516 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599484 562778138 /nfs/dbraw/zinc/77/81/38/562778138.db2.gz RBOAJFBNHJWMOW-VAQOQGKESA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600190 562778695 /nfs/dbraw/zinc/77/86/95/562778695.db2.gz URXZZUBQVMOKIH-DRGJWEBESA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600190 562778696 /nfs/dbraw/zinc/77/86/96/562778696.db2.gz URXZZUBQVMOKIH-DRGJWEBESA-N 1 1 641.017 5.800 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000095600588 562779063 /nfs/dbraw/zinc/77/90/63/562779063.db2.gz LFCBJIZGBQWHQM-QTLXSIBASA-N 1 1 602.776 5.261 3 0 KKAFMO 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)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600888 562779330 /nfs/dbraw/zinc/77/93/30/562779330.db2.gz CZGXFYZCYNDJOB-IUVSGJEMSA-N 1 1 752.797 8.296 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)O2 ZINC000095600940 562779341 /nfs/dbraw/zinc/77/93/41/562779341.db2.gz RCFXVEPLISCIDK-KMVLGAPJSA-N 1 1 618.562 5.523 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095601946 562779840 /nfs/dbraw/zinc/77/98/40/562779840.db2.gz RXIJSVCALBVVES-FXKJGQKXSA-N 1 1 706.733 6.722 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602373 562780074 /nfs/dbraw/zinc/78/00/74/562780074.db2.gz UQRVVYXDOOLUAO-SUCLBKFRSA-N 1 1 723.830 6.573 1 0 KKAFMO 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(F)(F)F)cc2C1=O ZINC000095602400 562780089 /nfs/dbraw/zinc/78/00/89/562780089.db2.gz QKQHOPFIEPLIHC-PUMORYBASA-N 1 1 689.738 6.914 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603124 562780419 /nfs/dbraw/zinc/78/04/19/562780419.db2.gz MQYRYLVPTZBBHK-HJBDBDOVSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603405 562780502 /nfs/dbraw/zinc/78/05/02/562780502.db2.gz RXIJSVCALBVVES-GJWZSCNASA-N 1 1 706.733 6.722 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@H](C)O3)cc1 ZINC000095603447 562780536 /nfs/dbraw/zinc/78/05/36/562780536.db2.gz GNVPCHVWJKYRPL-FBTROWELSA-N 1 1 647.817 5.662 1 0 KKAFMO 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(NS(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604012 562780766 /nfs/dbraw/zinc/78/07/66/562780766.db2.gz UIKXZKCHSBRXDR-CYCDCDHJSA-N 1 1 705.840 6.434 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095604360 562780993 /nfs/dbraw/zinc/78/09/93/562780993.db2.gz FDDMFJKLVOMWML-FOXNFBMGSA-N 1 1 703.683 7.704 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604333 562781005 /nfs/dbraw/zinc/78/10/05/562781005.db2.gz QMCFBRPLMVFDBX-NAJARDBOSA-N 1 1 740.285 7.087 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095605155 562781351 /nfs/dbraw/zinc/78/13/51/562781351.db2.gz XGMQKVJTWVADHD-RLJUXYCZSA-N 1 1 714.826 7.286 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605107 562781368 /nfs/dbraw/zinc/78/13/68/562781368.db2.gz LFZLAWVTNRSJHJ-BTHRYZMCSA-N 1 1 735.866 6.442 1 0 KKAFMO 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)Nc3ccc(F)cc3)cc2C1=O ZINC000095605184 562781418 /nfs/dbraw/zinc/78/14/18/562781418.db2.gz PIPSXTOHKBCCEO-QZCKSCMDSA-N 1 1 702.790 7.416 1 0 KKAFMO COc1c(I)cc(C[C@H]2[NH2+]CCc3c(I)c(O)c(I)cc32)cc1I ZINC000095606010 562781875 /nfs/dbraw/zinc/78/18/75/562781875.db2.gz NMLWKDGECWNCKU-CQSZACIVSA-N 1 1 772.928 5.249 1 0 KKAFMO Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)C(C/C=C/I)C/C=C/I)[N@H+]3C)cc1 ZINC000095607604 562782909 /nfs/dbraw/zinc/78/29/09/562782909.db2.gz RKPWYMFEVAXQBZ-VLBHHFNZSA-N 1 1 589.299 6.424 1 0 KKAFMO CC(C)[C@H](NC(=O)[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 ZINC000095610539 562784478 /nfs/dbraw/zinc/78/44/78/562784478.db2.gz IEDQYRTWHQBMRX-UREOVUFLSA-N 1 1 824.423 5.561 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCCN7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786297 /nfs/dbraw/zinc/78/62/97/562786297.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 1 1 799.032 6.750 1 0 KKAFMO CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c4ccnc(C5=C[C@@]6(O)CC/C=C\CCCCN7CC[C@@H]5[C@]5(C[C@@H]8CCC(=O)CCC[N@H+]8[C@H]56)C7)c4[nH]c32)s1 ZINC000095613421 562786298 /nfs/dbraw/zinc/78/62/98/562786298.db2.gz IMHUMQBLODOEBB-UGXIXXBRSA-N 1 1 799.032 6.750 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](n2cc(C[N@H+]3C[C@@H](C)C[C@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@H]5[C@H]6CC=C6C[C@@H](O)CC[C@@]65C)[C@H](C)[C@@H]43)nn2)O[C@H]1C ZINC000095613428 562786319 /nfs/dbraw/zinc/78/63/19/562786319.db2.gz LBLRSQNQCLLDGI-SOLXPYGXSA-N 1 1 764.961 5.218 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](n2cc(C[N@@H+]3C[C@@H](C)C[C@H]4O[C@]5(CC[C@@H]6C(=C5C)C[C@H]5[C@H]6CC=C6C[C@@H](O)CC[C@@]65C)[C@H](C)[C@@H]43)nn2)O[C@H]1C ZINC000095613428 562786320 /nfs/dbraw/zinc/78/63/20/562786320.db2.gz LBLRSQNQCLLDGI-SOLXPYGXSA-N 1 1 764.961 5.218 1 0 KKAFMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)Cc2ccccc2)c(C)c2c1OC(C)(C)CC2 ZINC000095615580 562787393 /nfs/dbraw/zinc/78/73/93/562787393.db2.gz GPFFUDMMDMARFD-LQJZCPKCSA-N 1 1 761.986 5.731 1 0 KKAFMO CC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670199 562788279 /nfs/dbraw/zinc/78/82/79/562788279.db2.gz DPSGNGUIODYZLY-SQHAQQRYSA-N 1 1 501.545 5.790 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095782658 562789066 /nfs/dbraw/zinc/78/90/66/562789066.db2.gz UPYOMULBLKVBBL-PWTWFPBBSA-N 1 1 622.851 6.638 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095833224 562789299 /nfs/dbraw/zinc/78/92/99/562789299.db2.gz FORWBLLIOZUMCF-CGQTXMLISA-N 1 1 653.632 6.721 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095857135 562789638 /nfs/dbraw/zinc/78/96/38/562789638.db2.gz VWCVFDWYUIZVLY-SGQICDRISA-N 1 1 676.736 7.494 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nn[nH]n3)cccc2C1=O ZINC000095872121 562789987 /nfs/dbraw/zinc/78/99/87/562789987.db2.gz ZOMBISWWQFPDRT-KDYSTLNUSA-N 1 1 526.641 5.039 1 0 KKAFMO CC(C)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(-c3nnc(-c4ccncc4)o3)cccc2C1=O ZINC000095872172 562790059 /nfs/dbraw/zinc/79/00/59/562790059.db2.gz BFKLOOYJPCVUIN-AFMDSPMNSA-N 1 1 580.516 6.485 1 0 KKAFMO C[C@@H]1CN(C)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H]1C[N@@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095872938 562790108 /nfs/dbraw/zinc/79/01/08/562790108.db2.gz COTMOQJVMZRAAK-DJUQAAIZSA-N 1 1 550.659 5.727 1 0 KKAFMO O=C(CCc1ccccc1)N1CC[NH+](Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174068 562791624 /nfs/dbraw/zinc/79/16/24/562791624.db2.gz PEGNWIIAMHQWBE-UHFFFAOYSA-N 1 1 541.659 5.330 1 0 KKAFMO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CC[N@H+](C(C)C)CC5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175744 562791930 /nfs/dbraw/zinc/79/19/30/562791930.db2.gz FAPPNSTXRLTGTB-UHFFFAOYSA-N 1 1 657.841 6.504 1 0 KKAFMO COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc([C@@H]5CC[N@@H+](C)C5)nc43)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175756 562791996 /nfs/dbraw/zinc/79/19/96/562791996.db2.gz FJWLTICFCATXQI-OAQYLSRUSA-N 1 1 617.776 5.426 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3Cl)c3ccccc3c2=O)cc1F ZINC000096270764 562793388 /nfs/dbraw/zinc/79/33/88/562793388.db2.gz NQSBULPZCGDNAY-UHFFFAOYSA-N 1 1 710.162 6.881 1 0 KKAFMO CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CC[NH+]5CCOCC5)cc43)cc2)n(-c2cccc(N)c2)n1 ZINC000096273046 562794377 /nfs/dbraw/zinc/79/43/77/562794377.db2.gz HURVYTRTFBZJAW-UHFFFAOYSA-N 1 1 648.772 5.744 1 0 KKAFMO O=c1cc(-c2ccccc2)oc2cc(OCCN3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285565 562795857 /nfs/dbraw/zinc/79/58/57/562795857.db2.gz MDVLYACOLMKYAL-UHFFFAOYSA-N 1 1 588.752 6.386 1 0 KKAFMO 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)N(C)CC4 ZINC000096900327 562796799 /nfs/dbraw/zinc/79/67/99/562796799.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 1 1 788.938 8.759 1 0 KKAFMO 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)N(C)CC4 ZINC000096900327 562796800 /nfs/dbraw/zinc/79/68/00/562796800.db2.gz YIJURBVYYOBDTD-MPQUPPDSSA-N 1 1 788.938 8.759 1 0 KKAFMO CCC[C@H]([NH3+])C(=O)O[C@H]1C[C@H]2[C@]3(C)CO[C@@](C)(c4ccccc4)O[C@H]3CC[C@]2(C)[C@H]2[C@@H](O)c3c(cc(-c4cccnc4)oc3=O)O[C@]12C ZINC000096902320 562797363 /nfs/dbraw/zinc/79/73/63/562797363.db2.gz YCNIGXYIMOZCSI-KDTKHJCLSA-N 1 1 658.792 5.656 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000096903124 562797801 /nfs/dbraw/zinc/79/78/01/562797801.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 1 1 777.756 9.495 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000096903124 562797802 /nfs/dbraw/zinc/79/78/02/562797802.db2.gz FFDBEIXGRMQNQA-MPQUPPDSSA-N 1 1 777.756 9.495 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000096903110 562797810 /nfs/dbraw/zinc/79/78/10/562797810.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 1 1 748.898 7.922 1 0 KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000096903110 562797811 /nfs/dbraw/zinc/79/78/11/562797811.db2.gz BRYTVYHEWHAELO-OIDHKYIRSA-N 1 1 748.898 7.922 1 0 KKAFMO CCn1nc(Cc2ccc3ccccc3c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903983 562798073 /nfs/dbraw/zinc/79/80/73/562798073.db2.gz CHOHDRRBJZPQIH-URSHZUDISA-N 1 1 610.818 7.180 1 0 KKAFMO COc1cc2c(cc1OCCC[N@H+]1CCCC[C@@H]1C)ncnc2Nc1nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2s1 ZINC000096908963 562799544 /nfs/dbraw/zinc/79/95/44/562799544.db2.gz ZFEYMTGWHMQIRG-DEOSSOPVSA-N 1 1 624.811 7.813 1 0 KKAFMO COc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096909599 562799672 /nfs/dbraw/zinc/79/96/72/562799672.db2.gz NXMDPNGPDQYQEL-PZGXJGMVSA-N 1 1 503.643 5.158 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000096913931 562800559 /nfs/dbraw/zinc/80/05/59/562800559.db2.gz YICKNFHZDRUFTL-MHZLTWQESA-N 1 1 526.633 5.655 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc1OC ZINC000096913931 562800560 /nfs/dbraw/zinc/80/05/60/562800560.db2.gz YICKNFHZDRUFTL-MHZLTWQESA-N 1 1 526.633 5.655 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC[C@H](c3ccccc3)C2)cc1OC ZINC000096913923 562800574 /nfs/dbraw/zinc/80/05/74/562800574.db2.gz WKMZLMAXSGDHJM-XCZPVHLTSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC[C@H](c3ccccc3)C2)cc1OC ZINC000096913923 562800575 /nfs/dbraw/zinc/80/05/75/562800575.db2.gz WKMZLMAXSGDHJM-XCZPVHLTSA-N 1 1 544.692 5.269 1 0 KKAFMO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@H](O)C1CCCCC1 ZINC000096926975 562802502 /nfs/dbraw/zinc/80/25/02/562802502.db2.gz RKVBMXRHLVVGSC-QRYWEVSESA-N 1 1 628.858 6.460 1 0 KKAFMO O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@H](O)C1CCCCC1 ZINC000096926975 562802503 /nfs/dbraw/zinc/80/25/03/562802503.db2.gz RKVBMXRHLVVGSC-QRYWEVSESA-N 1 1 628.858 6.460 1 0 KKAFMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5c(F)c(F)c(F)cc45)cc3)cc2)nc(N)[nH+]1 ZINC000096927667 562802664 /nfs/dbraw/zinc/80/26/64/562802664.db2.gz YKQDJANTUDHWRB-UHFFFAOYSA-N 1 1 515.499 6.072 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccccc3C)ccn2)cc1F ZINC000096932320 562803380 /nfs/dbraw/zinc/80/33/80/562803380.db2.gz LKJFGAFEPSNWPJ-UHFFFAOYSA-N 1 1 635.740 6.814 1 0 KKAFMO O=C1C(CC(F)(F)F)=C[C@](O)(CSc2ccc(F)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000096939398 562804742 /nfs/dbraw/zinc/80/47/42/562804742.db2.gz JBUVRNAJMZDOCD-QHCPKHFHSA-N 1 1 525.955 5.641 1 0 KKAFMO Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(OCC[NH+]2CCOCC2)c(-c2ccc(Cl)cc2)c1 ZINC000096940185 562804837 /nfs/dbraw/zinc/80/48/37/562804837.db2.gz MURHIZGVHFAODU-UHFFFAOYSA-N 1 1 594.159 6.824 1 0 KKAFMO CC(C)(C)C[N@@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 ZINC000098065460 562805148 /nfs/dbraw/zinc/80/51/48/562805148.db2.gz ZQYCYGZSRBLFBG-UHFFFAOYSA-N 1 1 500.521 6.778 1 0 KKAFMO CC(C)(C)C[N@H+]1Cc2cccc(Oc3ncccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2C1 ZINC000098065460 562805149 /nfs/dbraw/zinc/80/51/49/562805149.db2.gz ZQYCYGZSRBLFBG-UHFFFAOYSA-N 1 1 500.521 6.778 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(F)cc2)c2ccccc2)C1 ZINC000100076227 562806594 /nfs/dbraw/zinc/80/65/94/562806594.db2.gz ZCRCVSPHENOIHO-PKQPGRETSA-N 1 1 558.702 5.532 1 0 KKAFMO Cc1nc2c(n1[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3CCCN(C(=O)Nc1ccc(C)cc1)c1ccccc1)CCN(C(=O)C1CC1)C2 ZINC000100076424 562806691 /nfs/dbraw/zinc/80/66/91/562806691.db2.gz FFFPZUZINGLABU-CSSKISATSA-N 1 1 580.777 6.091 1 0 KKAFMO CCCN(CCC)C(=O)c1ccc(N(c2ccccc2)[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000100855498 562808268 /nfs/dbraw/zinc/80/82/68/562808268.db2.gz ZYJSDERZORMBNJ-CCIZXNCKSA-N 1 1 509.738 7.325 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1cccc(C)c1)c1ccccc1 ZINC000101141206 562809421 /nfs/dbraw/zinc/80/94/21/562809421.db2.gz FKCAMFNRBHONBH-KUMHGWDASA-N 1 1 500.691 6.315 1 0 KKAFMO COc1ccccc1NC(=O)N(CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nnc1C(C)C)C2)c1ccccc1 ZINC000101138409 562809429 /nfs/dbraw/zinc/80/94/29/562809429.db2.gz BIDHOLBHYBEPOD-GPOLMCQNSA-N 1 1 516.690 6.015 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000101161913 562809547 /nfs/dbraw/zinc/80/95/47/562809547.db2.gz LPUMYQIFRLFYJR-UBRQYEGLSA-N 1 1 555.554 7.313 1 0 KKAFMO Cc1nc(C(C)C)n([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101177000 562809658 /nfs/dbraw/zinc/80/96/58/562809658.db2.gz PTUIAFZYMVYAII-QUMGSSFMSA-N 1 1 513.677 5.951 1 0 KKAFMO COC(=O)[C@@H](c1ccccc1)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193598 562809844 /nfs/dbraw/zinc/80/98/44/562809844.db2.gz DOKCTIDKDIKECV-IJGRWTRYSA-N 1 1 576.785 6.851 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2cccc(C)c2C)CC1 ZINC000101193592 562809874 /nfs/dbraw/zinc/80/98/74/562809874.db2.gz YOJOIMABKIOJRY-MOYSKTIJSA-N 1 1 590.812 7.379 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CC[NH+]([C@H](C(=O)[O-])c2c(C)cccc2C)CC1 ZINC000101193589 562809906 /nfs/dbraw/zinc/80/99/06/562809906.db2.gz PJUZFIMJBIWYQW-MOYSKTIJSA-N 1 1 590.812 7.379 1 0 KKAFMO COc1cc(Nc2ncnc3ccc(-c4ccc(C[N@H+]5C[C@H]6[C@@H](CO)[C@H]6C5)cc4)cc32)ccc1Oc1ccccc1 ZINC000101216381 562810010 /nfs/dbraw/zinc/81/00/10/562810010.db2.gz WZZXMNBOPNKKSX-RLPLKTQASA-N 1 1 544.655 6.511 1 0 KKAFMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(F)cc1F ZINC000101338029 562810348 /nfs/dbraw/zinc/81/03/48/562810348.db2.gz KUBVRBHREBOZQR-JNXJTYLLSA-N 1 1 506.584 5.059 1 0 KKAFMO C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2CCC[N@@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000101645076 562811525 /nfs/dbraw/zinc/81/15/25/562811525.db2.gz XWWBOYDUGHVMQG-DNQXCXABSA-N 1 1 526.633 5.201 1 0 KKAFMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)C[C@H](C)O1 ZINC000101696383 562811889 /nfs/dbraw/zinc/81/18/89/562811889.db2.gz TWPQZUPBFGJHLF-SZPZYZBQSA-N 1 1 597.737 6.102 1 0 KKAFMO CCCCCc1ccc(CCCCCCCCNC(=[NH+]c2ccc(OC)cc2OC)C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103218565 562817292 /nfs/dbraw/zinc/81/72/92/562817292.db2.gz LIKGWYONRSPDKV-UHFFFAOYSA-N 1 1 580.766 7.069 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224997 562817652 /nfs/dbraw/zinc/81/76/52/562817652.db2.gz GWHGPTZUEFQPNH-GWMMUDDPSA-N 1 1 521.731 5.030 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225803 562817773 /nfs/dbraw/zinc/81/77/73/562817773.db2.gz WFRWQETYSFTMTJ-UUROJUAVSA-N 1 1 535.758 5.204 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103225789 562817780 /nfs/dbraw/zinc/81/77/80/562817780.db2.gz IJDZPNGINLWIJW-PJMCFOBISA-N 1 1 556.776 6.181 1 0 KKAFMO CC(C)(C)C[N@H+]1CC[C@@]2(CN(c3ccccc3NC(=O)Nc3ccc(OC(F)(F)F)cc3)c3ccccc32)C1 ZINC000103226404 562817815 /nfs/dbraw/zinc/81/78/15/562817815.db2.gz ZRQYABBZGJNCMK-LJAQVGFWSA-N 1 1 538.614 7.371 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227162 562817861 /nfs/dbraw/zinc/81/78/61/562817861.db2.gz SCNLACQHVSYICA-UUQNIDNHSA-N 1 1 562.749 7.145 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227185 562817893 /nfs/dbraw/zinc/81/78/93/562817893.db2.gz SCDVTYVEEOZJQT-BPXGVECKSA-N 1 1 528.722 5.665 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 ZINC000103233999 562818569 /nfs/dbraw/zinc/81/85/69/562818569.db2.gz BMQGIPHCTZAMMW-CSSKISATSA-N 1 1 532.732 6.777 1 0 KKAFMO O=C(NCCCCCCNc1cc[nH+]c2cc(Cl)ccc12)N[C@H]1C(=O)N(C2CCCCC2)[C@H]1/C=C/c1ccccc1 ZINC000103236298 562818847 /nfs/dbraw/zinc/81/88/47/562818847.db2.gz WKQOZBFITFQJKW-KIMXDNIVSA-N 1 1 574.169 6.785 1 0 KKAFMO O=C(NCCCCNc1cc[nH+]c2cc(Cl)ccc12)C(=O)N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1 ZINC000103236327 562818890 /nfs/dbraw/zinc/81/88/90/562818890.db2.gz SWJOVLNZMVYOEF-SSDCQTJLSA-N 1 1 602.522 5.464 1 0 KKAFMO C[NH+]1CCN(c2cc3c(cc2N)c(=O)c(C(=O)OCc2ccc(Cl)cc2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000103255745 562820807 /nfs/dbraw/zinc/82/08/07/562820807.db2.gz CBUHVYCJUWBHOC-UHFFFAOYSA-N 1 1 551.474 5.048 1 0 KKAFMO Cc1ccc(C[N@H+](C)C(C)C)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103264960 562822048 /nfs/dbraw/zinc/82/20/48/562822048.db2.gz SMSVZCPUPBAYIR-UHFFFAOYSA-N 1 1 563.624 7.495 1 0 KKAFMO Cn1c2cc(-n3ccc(OCc4ccc(C(F)(F)F)nc4)cc3=O)ccc2c2c1C[C@@H]1CCCC[N@@H+]1C2 ZINC000113184625 562826311 /nfs/dbraw/zinc/82/63/11/562826311.db2.gz XWPGBIBRTXZJOU-IBGZPJMESA-N 1 1 508.544 5.233 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000114034062 562826977 /nfs/dbraw/zinc/82/69/77/562826977.db2.gz NTHNZJUGMUPVGV-UHFFFAOYSA-N 1 1 508.037 6.305 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N[C@@H]2CC[NH2+]C2)nc1)C1CC1 ZINC000114034032 562826993 /nfs/dbraw/zinc/82/69/93/562826993.db2.gz PAAMSHAMIHCIMN-LJQANCHMSA-N 1 1 517.992 5.905 1 0 KKAFMO CC[NH+](CC)C1CCC(Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000114038588 562827306 /nfs/dbraw/zinc/82/73/06/562827306.db2.gz SEJZFWICWCOFAN-UHFFFAOYSA-N 1 1 538.107 7.838 1 0 KKAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000114038414 562827332 /nfs/dbraw/zinc/82/73/32/562827332.db2.gz PEAZQTKOWOEYCZ-MOBUCQHHSA-N 1 1 512.481 7.039 1 0 KKAFMO C[NH2+][C@@H]1CCCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039262 562827400 /nfs/dbraw/zinc/82/74/00/562827400.db2.gz NBKZPCDCUOTJOH-HXUWFJFHSA-N 1 1 520.008 5.929 1 0 KKAFMO C[NH2+][C@H]1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114039438 562827428 /nfs/dbraw/zinc/82/74/28/562827428.db2.gz PWVMODVQUPGFRS-FQEVSTJZSA-N 1 1 532.019 5.929 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000114098956 562827530 /nfs/dbraw/zinc/82/75/30/562827530.db2.gz RXVLLQQUQSKKRR-RUZDIDTESA-N 1 1 508.106 6.433 1 0 KKAFMO Cc1ccc(C)c(C[N@@H+]2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099287 562827593 /nfs/dbraw/zinc/82/75/93/562827593.db2.gz GTZKHPQGAAMWGK-SANMLTNESA-N 1 1 501.067 5.004 1 0 KKAFMO Cc1ccc(C)c(C[N@H+]2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099287 562827594 /nfs/dbraw/zinc/82/75/94/562827594.db2.gz GTZKHPQGAAMWGK-SANMLTNESA-N 1 1 501.067 5.004 1 0 KKAFMO COc1ccc(C)cc1C[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099604 562827651 /nfs/dbraw/zinc/82/76/51/562827651.db2.gz UVFGVILYSLAPSS-JOCHJYFZSA-N 1 1 501.067 5.325 1 0 KKAFMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099586 562827659 /nfs/dbraw/zinc/82/76/59/562827659.db2.gz JLCSBEYIVBVEFV-HSZRJFAPSA-N 1 1 515.094 5.715 1 0 KKAFMO CCCC(=O)Nc1cccc(-c2nc3cc(OC)c(OCCC[NH+]4CCOCC4)cc3c(Nc3ccc4n[nH]cc4c3)n2)c1 ZINC000114755373 562828448 /nfs/dbraw/zinc/82/84/48/562828448.db2.gz KMBVJJHZAZTAPG-UHFFFAOYSA-N 1 1 595.704 5.765 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)C3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795431 562830650 /nfs/dbraw/zinc/83/06/50/562830650.db2.gz OQQLKHVTFRESEW-MHHVZENASA-N 1 1 576.181 6.949 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OCC(=O)N1CC[NH+](C)CC1)CC(=O)N(c1ccc(OC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118800579 562830710 /nfs/dbraw/zinc/83/07/10/562830710.db2.gz NQDGYXBFKYQRNB-DHYKOVJISA-N 1 1 592.136 5.357 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928707 562832225 /nfs/dbraw/zinc/83/22/25/562832225.db2.gz PDJFRJFTKGLDDM-WJOKGBTCSA-N 1 1 605.743 6.383 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[NH+]2CCN(C(=O)OC(C)(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138928590 562832240 /nfs/dbraw/zinc/83/22/40/562832240.db2.gz PDJFRJFTKGLDDM-HKBQPEDESA-N 1 1 605.743 6.383 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[NH+]2CCN(C(C)C)CC2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138960167 562832242 /nfs/dbraw/zinc/83/22/42/562832242.db2.gz PZINVJUNZRLUIM-WJOKGBTCSA-N 1 1 547.707 5.856 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3N2CC[NH+](C)CC2)cc1Nc1nccc(-c2ccncc2)n1 ZINC000138993645 562832287 /nfs/dbraw/zinc/83/22/87/562832287.db2.gz GMYQHOQOEQWZGN-LJAQVGFWSA-N 1 1 519.653 5.078 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[N@@H+]2CC[C@@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993377 562832291 /nfs/dbraw/zinc/83/22/91/562832291.db2.gz PANUCCHSDROJBK-VIZCGCQYSA-N 1 1 533.680 5.466 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@@H]3[N@H+]2CC[C@@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993377 562832292 /nfs/dbraw/zinc/83/22/92/562832292.db2.gz PANUCCHSDROJBK-VIZCGCQYSA-N 1 1 533.680 5.466 1 0 KKAFMO CN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccnc4ccccc34)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139546382 562832562 /nfs/dbraw/zinc/83/25/62/562832562.db2.gz XBZJJZVSPQGOOM-UHFFFAOYSA-N 1 1 551.691 5.109 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1O[C@H](c1ccc(Br)cc1)c1ccc(I)cc1)[N@H+]2C ZINC000140620315 562833237 /nfs/dbraw/zinc/83/32/37/562833237.db2.gz BHKDMCGCJODKJK-LILSUDLASA-N 1 1 570.265 5.184 1 0 KKAFMO Cc1ccc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000140621981 562833259 /nfs/dbraw/zinc/83/32/59/562833259.db2.gz KGZHVIDVIHNVRI-UHFFFAOYSA-N 1 1 554.552 5.024 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCC[N@@H+](CC2CC2)C1 ZINC000140844367 562833316 /nfs/dbraw/zinc/83/33/16/562833316.db2.gz ZQTLLEQBUNKYFU-QHCPKHFHSA-N 1 1 500.483 5.864 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br ZINC000141604496 562833678 /nfs/dbraw/zinc/83/36/78/562833678.db2.gz PPMXORITWNSKAE-UHFFFAOYSA-N 1 1 577.490 5.914 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145960862 562837852 /nfs/dbraw/zinc/83/78/52/562837852.db2.gz LYNGPWZAZYWOKX-HNNXBMFYSA-N 1 1 575.975 5.256 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980653 562837890 /nfs/dbraw/zinc/83/78/90/562837890.db2.gz ALEQWEZEIXUEON-RBUKOAKNSA-N 1 1 623.007 5.051 1 0 KKAFMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2F)c(Cl)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1 ZINC000145980653 562837891 /nfs/dbraw/zinc/83/78/91/562837891.db2.gz ALEQWEZEIXUEON-RBUKOAKNSA-N 1 1 623.007 5.051 1 0 KKAFMO CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1 ZINC000145978013 562837907 /nfs/dbraw/zinc/83/79/07/562837907.db2.gz FNCQKBUUNUZWGP-HXUWFJFHSA-N 1 1 553.585 5.547 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@H]2F)c(F)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@H]3C)n1 ZINC000146057621 562838037 /nfs/dbraw/zinc/83/80/37/562838037.db2.gz XJRWCPZGHQLUHK-USCONSEESA-N 1 1 615.081 5.511 1 0 KKAFMO COCC[NH+]1CCN(c2ncc3ncnc(Nc4cc(C(=O)Nc5cc(C(F)(F)F)ccc5Cl)ccc4C)c3n2)CC1 ZINC000148345270 562841120 /nfs/dbraw/zinc/84/11/20/562841120.db2.gz ZYPCRLBEEFIRKM-UHFFFAOYSA-N 1 1 601.033 5.165 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000148607062 562841527 /nfs/dbraw/zinc/84/15/27/562841527.db2.gz LQJLPHKCTDJNTM-HSZRJFAPSA-N 1 1 512.094 5.000 1 0 KKAFMO C[C@@H](c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](Cc2ccccc2)CC1)[C@@H](C)CCCc1ccc(F)cc1 ZINC000148778696 562841776 /nfs/dbraw/zinc/84/17/76/562841776.db2.gz NNWHHZWGFMXAIM-BJKOFHAPSA-N 1 1 513.697 8.124 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000148843595 562841908 /nfs/dbraw/zinc/84/19/08/562841908.db2.gz SVZJPUWYVAXFNM-DEOSSOPVSA-N 1 1 513.078 5.333 1 0 KKAFMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)OCc1ccccc1 ZINC000150535580 562843926 /nfs/dbraw/zinc/84/39/26/562843926.db2.gz NVGYFAPGGPROBP-QVRIRJLUSA-N 1 1 643.832 7.391 1 0 KKAFMO COc1ccc(C(OC(=O)[C@H]2CC[C@@H]([N@@H+](C)[C@H]3CC[C@H](C(=O)O/C=C/c4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150546901 562844484 /nfs/dbraw/zinc/84/44/84/562844484.db2.gz NTQAMCUPIBQLDW-CZFDWHEASA-N 1 1 701.857 7.626 1 0 KKAFMO O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc43)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)o1 ZINC000150572832 562845170 /nfs/dbraw/zinc/84/51/70/562845170.db2.gz CYQSHRZDQPTSLQ-UHFFFAOYSA-N 1 1 642.701 5.842 1 0 KKAFMO COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[N@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000161513346 562849164 /nfs/dbraw/zinc/84/91/64/562849164.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 1 1 664.799 7.035 1 0 KKAFMO COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)[N@@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000161513346 562849165 /nfs/dbraw/zinc/84/91/65/562849165.db2.gz KBEXONGJLNVSDE-SXOMAYOGSA-N 1 1 664.799 7.035 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(C)c(Nc3ncnc4cnc(N5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)nc43)c2)cc1C(F)(F)F ZINC000163529100 562849371 /nfs/dbraw/zinc/84/93/71/562849371.db2.gz ZOZVPIRGEIVLGJ-JOCHJYFZSA-N 1 1 649.722 5.215 1 0 KKAFMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5csc(CO)n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000163635127 562849380 /nfs/dbraw/zinc/84/93/80/562849380.db2.gz SGFUDHJHEHBYDF-FKYXBBJVSA-N 1 1 672.827 5.282 1 0 KKAFMO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Oc4ncc(F)cc4C(=O)N[C@H]4CC[C@H](NC(=O)c5csc(CO)n5)CC4)c3)cc2)C[C@H](C)N1 ZINC000163635127 562849381 /nfs/dbraw/zinc/84/93/81/562849381.db2.gz SGFUDHJHEHBYDF-FKYXBBJVSA-N 1 1 672.827 5.282 1 0 KKAFMO CC[C@H](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 ZINC000164772466 562849748 /nfs/dbraw/zinc/84/97/48/562849748.db2.gz FKSNZSZSJXYTNP-HYDRXBKYSA-N 1 1 675.673 6.227 1 0 KKAFMO Cc1cccc(-c2nc(C3C[NH+](Cc4ccc(-c5nc6nc(-c7ccccn7)nn6c(NC(C)C)c5-c5ccccc5)cc4)C3)n[nH]2)n1 ZINC000167403588 562850760 /nfs/dbraw/zinc/85/07/60/562850760.db2.gz YDQGQHBPNSJCQU-UHFFFAOYSA-N 1 1 633.764 6.429 1 0 KKAFMO Cc1cn2cc(-c3ccccc3)c(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2n1 ZINC000167531308 562850931 /nfs/dbraw/zinc/85/09/31/562850931.db2.gz CIRLUEPNSNWHDA-UHFFFAOYSA-N 1 1 512.621 5.460 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@@H](O)CSC(=S)N1CCCCC1 ZINC000169290860 562851821 /nfs/dbraw/zinc/85/18/21/562851821.db2.gz KIMKESVEZODZRF-ISKFKSNPSA-N 1 1 526.690 6.012 1 0 KKAFMO CCC1=C[C@H]2C[NH+](C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852160 /nfs/dbraw/zinc/85/21/60/562852160.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 1 1 825.041 5.823 1 0 KKAFMO CCC1=C[C@H]2C[NH+](C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852161 /nfs/dbraw/zinc/85/21/61/562852161.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 1 1 825.041 5.823 1 0 KKAFMO CCC1=C[C@H]2CN(C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@@H+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852162 /nfs/dbraw/zinc/85/21/62/562852162.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 1 1 825.041 5.823 1 0 KKAFMO CCC1=C[C@H]2CN(C1)Cc1c3cc(SC)ccc3[nH]c1[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@@H]1[C@]34CC[N@H+]3C=CC[C@](CC)([C@H]34)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC)C2 ZINC000169293845 562852163 /nfs/dbraw/zinc/85/21/63/562852163.db2.gz NKVVFXOFRXFMPK-AGJHSZMPSA-N 1 1 825.041 5.823 1 0 KKAFMO O=C(Nc1ccccc1)N[C@@H]1CC[N@H+](CC[C@@]2(c3ccc(Cl)c(Cl)c3)COCN(C(=O)c3ccccc3)C2)C1 ZINC000169294204 562852192 /nfs/dbraw/zinc/85/21/92/562852192.db2.gz MENBXQWQAZNXTG-RNAHPLFWSA-N 1 1 567.517 5.647 1 0 KKAFMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317494 562855951 /nfs/dbraw/zinc/85/59/51/562855951.db2.gz GLCDSMRSFSVQSW-RPLLCQBOSA-N 1 1 516.560 5.546 1 0 KKAFMO CC[C@@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319053 562856147 /nfs/dbraw/zinc/85/61/47/562856147.db2.gz KDMFAGDJSAXTOU-YENTXNKWSA-N 1 1 590.884 5.037 1 0 KKAFMO CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3ccccc3O)CC2)ccc1O ZINC000169321636 562856700 /nfs/dbraw/zinc/85/67/00/562856700.db2.gz HJDXDXHHUVMBAQ-DHUJRADRSA-N 1 1 682.884 6.203 1 0 KKAFMO COc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)cc1OC ZINC000169323811 562857198 /nfs/dbraw/zinc/85/71/98/562857198.db2.gz ZJRKUHPKZZUWOF-UHFFFAOYSA-N 1 1 642.164 6.455 1 0 KKAFMO Cc1cn([C@H]2CCC[N@H+](Cc3cccc(Oc4cc(F)cc(Cl)c4)c3Br)C2)c(=O)[nH]c1=O ZINC000169325525 562857604 /nfs/dbraw/zinc/85/76/04/562857604.db2.gz FSFIZDWEPGSPBT-SFHVURJKSA-N 1 1 522.802 5.029 1 0 KKAFMO Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(Oc4cc(F)cc(Cl)c4)c3Br)C2)c(=O)[nH]c1=O ZINC000169325525 562857605 /nfs/dbraw/zinc/85/76/05/562857605.db2.gz FSFIZDWEPGSPBT-SFHVURJKSA-N 1 1 522.802 5.029 1 0 KKAFMO C[C@@H]([N@H+]1CCc2sc(-c3cccc(Cl)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344457 562861341 /nfs/dbraw/zinc/86/13/41/562861341.db2.gz LCFOUYCFWOOQNN-PUAOIOHZSA-N 1 1 501.002 5.273 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2C)cc1F ZINC000169350728 562862898 /nfs/dbraw/zinc/86/28/98/562862898.db2.gz FVPKNPIIGGEJGZ-UHFFFAOYSA-N 1 1 639.684 5.383 1 0 KKAFMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1 ZINC000169365433 562864439 /nfs/dbraw/zinc/86/44/39/562864439.db2.gz GGRJANYEADBCKA-VZVHPENPSA-N 1 1 572.672 5.095 1 0 KKAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccccc4c3=O)Cc3ccsc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000198503562 562872755 /nfs/dbraw/zinc/87/27/55/562872755.db2.gz KYZSDKSHODHMRD-UHFFFAOYSA-N 1 1 586.758 5.390 1 0 KKAFMO CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000198683431 562872813 /nfs/dbraw/zinc/87/28/13/562872813.db2.gz OXCAKDYULKMTMJ-PFFFZIHFSA-N 1 1 623.823 5.516 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000203687473 562874062 /nfs/dbraw/zinc/87/40/62/562874062.db2.gz OOLDIKPZOLPNFK-UHFFFAOYSA-N 1 1 548.043 5.389 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000203989523 562874331 /nfs/dbraw/zinc/87/43/31/562874331.db2.gz LKIXDAQTHJLSEQ-GOSISDBHSA-N 1 1 505.981 5.669 1 0 KKAFMO CCN(c1cc(-c2ccc(C[N@H+]3CCC[C@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205713452 562875715 /nfs/dbraw/zinc/87/57/15/562875715.db2.gz NYIQADRVZZYULE-LJAQVGFWSA-N 1 1 588.768 5.836 1 0 KKAFMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)C1 ZINC000206718699 562876518 /nfs/dbraw/zinc/87/65/18/562876518.db2.gz IBBMVDZVJHYHGH-HSZRJFAPSA-N 1 1 564.082 7.308 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4ccccc4NC(=O)c4ccccc4)nn3)cc1)CC2 ZINC000209632873 562876923 /nfs/dbraw/zinc/87/69/23/562876923.db2.gz MTZFMAOBMQJWLH-UHFFFAOYSA-N 1 1 589.696 5.717 1 0 KKAFMO O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC000220158814 562878370 /nfs/dbraw/zinc/87/83/70/562878370.db2.gz KFJALJLHZPROHP-UHFFFAOYSA-N 1 1 526.640 6.840 1 0 KKAFMO O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CC[N@H+](CCCC(F)(F)F)C2 ZINC000220158814 562878371 /nfs/dbraw/zinc/87/83/71/562878371.db2.gz KFJALJLHZPROHP-UHFFFAOYSA-N 1 1 526.640 6.840 1 0 KKAFMO CC(C)(C)c1cnc(CC[N@@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160084 562878397 /nfs/dbraw/zinc/87/83/97/562878397.db2.gz SUGCNIQADYRTRS-UHFFFAOYSA-N 1 1 578.798 6.828 1 0 KKAFMO CC(C)(C)c1cnc(CC[N@H+]2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160084 562878398 /nfs/dbraw/zinc/87/83/98/562878398.db2.gz SUGCNIQADYRTRS-UHFFFAOYSA-N 1 1 578.798 6.828 1 0 KKAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc3cc(O)ccc3c2)c1 ZINC000220408960 562878457 /nfs/dbraw/zinc/87/84/57/562878457.db2.gz ZXRGWEIYHJUQPL-LITSAYRRSA-N 1 1 582.726 5.421 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1F ZINC000222115230 562879641 /nfs/dbraw/zinc/87/96/41/562879641.db2.gz WKCPOJBMNFSPJK-UHFFFAOYSA-N 1 1 684.622 6.267 1 0 KKAFMO CC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222892246 562879958 /nfs/dbraw/zinc/87/99/58/562879958.db2.gz CQUJLYNODRHKKP-UHFFFAOYSA-N 1 1 546.553 6.451 1 0 KKAFMO CCC[C@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OCc1ccccc1 ZINC000299825254 562883513 /nfs/dbraw/zinc/88/35/13/562883513.db2.gz YCGOOJLXDQVRDH-ZJYVBTJHSA-N 1 1 562.674 5.550 1 0 KKAFMO CCC[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OCc1ccccc1 ZINC000299825252 562883523 /nfs/dbraw/zinc/88/35/23/562883523.db2.gz YCGOOJLXDQVRDH-FCAYZRQCSA-N 1 1 562.674 5.550 1 0 KKAFMO COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CC[NH+](C)CC4)c3n2C)cc1 ZINC000299831494 562885606 /nfs/dbraw/zinc/88/56/06/562885606.db2.gz QEFLNNDMCNSFHF-UHFFFAOYSA-N 1 1 505.666 5.738 1 0 KKAFMO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(O)cc1O ZINC000299837872 562887641 /nfs/dbraw/zinc/88/76/41/562887641.db2.gz SGNSAEIAPQQRJE-UHFFFAOYSA-N 1 1 523.633 6.450 1 0 KKAFMO COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c3ccccc3c2=O)cc1 ZINC000299839085 562888033 /nfs/dbraw/zinc/88/80/33/562888033.db2.gz PSXLLVIIPLWFCD-UHFFFAOYSA-N 1 1 705.743 6.236 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nn1)CC2 ZINC000299841323 562888839 /nfs/dbraw/zinc/88/88/39/562888839.db2.gz ZFUDOZQPYNMBCQ-UHFFFAOYSA-N 1 1 569.706 5.482 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCn1cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nn1)CC2 ZINC000299841323 562888840 /nfs/dbraw/zinc/88/88/40/562888840.db2.gz ZFUDOZQPYNMBCQ-UHFFFAOYSA-N 1 1 569.706 5.482 1 0 KKAFMO Cc1ccc(CN2C[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000299846975 562889812 /nfs/dbraw/zinc/88/98/12/562889812.db2.gz BMOJETYKOWBJNF-YZNIXAGQSA-N 1 1 616.688 6.791 1 0 KKAFMO Cc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(Cl)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299854971 562891514 /nfs/dbraw/zinc/89/15/14/562891514.db2.gz BWEIIXORLMASDA-UHFFFAOYSA-N 1 1 539.079 6.141 1 0 KKAFMO Cc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(Br)cc34)CC2)c(=O)n2ccccc12 ZINC000299855794 562891768 /nfs/dbraw/zinc/89/17/68/562891768.db2.gz GGIMIKMBBUHFGD-UHFFFAOYSA-N 1 1 583.530 6.250 1 0 KKAFMO Cc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(Br)cc45)CC3)c(=O)n3ccccc23)cc1 ZINC000299855894 562891823 /nfs/dbraw/zinc/89/18/23/562891823.db2.gz HBPQTPNTWDSOAT-UHFFFAOYSA-N 1 1 583.530 6.250 1 0 KKAFMO COc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(Br)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299858106 562892401 /nfs/dbraw/zinc/89/24/01/562892401.db2.gz QKYGOOPYFRJSMB-UHFFFAOYSA-N 1 1 599.529 5.950 1 0 KKAFMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859217 562892639 /nfs/dbraw/zinc/89/26/39/562892639.db2.gz FMRSUYVTBKFLDM-MHZLTWQESA-N 1 1 620.581 7.839 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCCNc1cc(-n3nc(C)c4c3CC(C)(C)CC4=O)ccc1C(N)=O)CC2 ZINC000299866427 562894657 /nfs/dbraw/zinc/89/46/57/562894657.db2.gz OYMLEDQNEGJKIM-UHFFFAOYSA-N 1 1 573.738 5.092 1 0 KKAFMO C[N@@H+]1CC=C(c2cc3c(ncnc3-c3cccc(-n4ccc5cc(C6CC6)cc(F)c5c4=O)c3CO)[nH]2)CC1 ZINC000299867560 562894889 /nfs/dbraw/zinc/89/48/89/562894889.db2.gz QHMGDMJRYVRKIL-UHFFFAOYSA-N 1 1 521.596 5.157 1 0 KKAFMO O=[N+]([O-])C1=C(NCCc2ccccc2)Oc2ccccc2[C@H]1c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473082778 562896731 /nfs/dbraw/zinc/89/67/31/562896731.db2.gz LFGZBBFZOIGSSD-UUWRZZSWSA-N 1 1 618.137 7.017 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2ccccc2O1 ZINC000473082734 562896746 /nfs/dbraw/zinc/89/67/46/562896746.db2.gz KZXIZZVHSKYRSJ-NDEPHWFRSA-N 1 1 542.039 5.794 1 0 KKAFMO O=[N+]([O-])C1=C(NCCc2ccccc2)Oc2ccccc2[C@@H]1c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000473082777 562896750 /nfs/dbraw/zinc/89/67/50/562896750.db2.gz LFGZBBFZOIGSSD-UMSFTDKQSA-N 1 1 618.137 7.017 1 0 KKAFMO COc1cc2oc(-c3ccc(OCCCCCC[N@@H+](C)Cc4ccccc4)cc3)cc(=O)c2c(OC)c1OC ZINC000473112460 562898696 /nfs/dbraw/zinc/89/86/96/562898696.db2.gz DZMRMIOJIWWZHJ-UHFFFAOYSA-N 1 1 531.649 6.557 1 0 KKAFMO CC[N@@H+](CCCCCCOc1ccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)cc1)Cc1ccccc1 ZINC000473112613 562898716 /nfs/dbraw/zinc/89/87/16/562898716.db2.gz FSJJWJHXXNEXEV-UHFFFAOYSA-N 1 1 545.676 6.947 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCOc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1 ZINC000473114946 562898994 /nfs/dbraw/zinc/89/89/94/562898994.db2.gz PNNFMBPNANXPPI-UHFFFAOYSA-N 1 1 505.567 5.092 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCOc1cccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c1 ZINC000473116243 562899109 /nfs/dbraw/zinc/89/91/09/562899109.db2.gz VZMFKDNJVVZKID-UHFFFAOYSA-N 1 1 505.567 5.092 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c2c3c(-c3ccc(Oc4ccccc4)cc3)ccc2C(N)=O)CC1 ZINC000473123146 562899515 /nfs/dbraw/zinc/89/95/15/562899515.db2.gz KSGQEFQJEHUQQJ-UHFFFAOYSA-N 1 1 504.590 5.267 1 0 KKAFMO CCCCn1cc(CCCOc2ccc(C(=O)NCCCC[N@@H+](CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1 ZINC000473134084 562900461 /nfs/dbraw/zinc/90/04/61/562900461.db2.gz BOUDGQUEAMMTAE-UHFFFAOYSA-N 1 1 632.806 5.523 1 0 KKAFMO CC(C)[N@H+]1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2 ZINC000473134964 562900576 /nfs/dbraw/zinc/90/05/76/562900576.db2.gz KEOZUNFWVFOURD-IARZGTGTSA-N 1 1 566.702 5.227 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3N(S(=O)(=O)c3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc1)CC2 ZINC000473134990 562900579 /nfs/dbraw/zinc/90/05/79/562900579.db2.gz DQIYNAWJFAUJBY-UHFFFAOYSA-N 1 1 869.654 7.666 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc1)CC2 ZINC000473135362 562900681 /nfs/dbraw/zinc/90/06/81/562900681.db2.gz HSUBQAAPHGRWEN-UHFFFAOYSA-N 1 1 628.751 5.316 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc1)CC2 ZINC000473135362 562900682 /nfs/dbraw/zinc/90/06/82/562900682.db2.gz HSUBQAAPHGRWEN-UHFFFAOYSA-N 1 1 628.751 5.316 1 0 KKAFMO C[NH+]1CCN(C(=O)c2ccc3c(c2)[nH]c2c3c(-c3cccc(NC(=O)c4ccc(F)cc4)c3F)ccc2C(N)=O)CC1 ZINC000473136561 562901086 /nfs/dbraw/zinc/90/10/86/562901086.db2.gz SJDDMXNTQNKVCV-UHFFFAOYSA-N 1 1 567.596 5.005 1 0 KKAFMO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([N@H+]1CC[C@@H](F)C1)CC2 ZINC000473145152 562901275 /nfs/dbraw/zinc/90/12/75/562901275.db2.gz KWNAEWYQYPOIBQ-SSEPRJSISA-N 1 1 555.543 5.387 1 0 KKAFMO COCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000473147636 562901430 /nfs/dbraw/zinc/90/14/30/562901430.db2.gz FTWLHZZOIPWOOS-BTYSJIOQSA-N 1 1 573.591 5.269 1 0 KKAFMO 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 562902428 /nfs/dbraw/zinc/90/24/28/562902428.db2.gz SHHHPTFIRLSTIA-DHUJRADRSA-N 1 1 691.269 7.739 1 0 KKAFMO COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCC[N@@H+](CCCNC(=O)OCc4ccccc4)C3)cc21 ZINC000473162831 562902827 /nfs/dbraw/zinc/90/28/27/562902827.db2.gz PGWVTNQSTFSHFU-QFIPXVFZSA-N 1 1 516.617 5.874 1 0 KKAFMO C[C@@]([NH2+]Cc1ccc2ncsc2c1)(c1cn([C@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473170816 562903236 /nfs/dbraw/zinc/90/32/36/562903236.db2.gz RSSMYFQRFUEXTN-MNNSJKJDSA-N 1 1 653.724 5.263 1 0 KKAFMO CS(=O)(=O)NCCN1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236402 562904656 /nfs/dbraw/zinc/90/46/56/562904656.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 1 1 595.898 5.757 1 0 KKAFMO CS(=O)(=O)NCCN1CCC[C@@H](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473236402 562904657 /nfs/dbraw/zinc/90/46/57/562904657.db2.gz CXCQMXFCSAVLJG-RNNHRHFYSA-N 1 1 595.898 5.757 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(Cl)c3)c(=O)n2C)cc1F ZINC000474607061 562905346 /nfs/dbraw/zinc/90/53/46/562905346.db2.gz INMGRAZPRCTMSZ-UHFFFAOYSA-N 1 1 707.178 6.034 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(F)c3)c(=O)n2C)cc1F ZINC000474607058 562905374 /nfs/dbraw/zinc/90/53/74/562905374.db2.gz IMTFUFPOVPBIEH-UHFFFAOYSA-N 1 1 690.723 5.519 1 0 KKAFMO CN1CCCN(S(=O)(=O)c2ccc(C3=C[C@@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607084 562905412 /nfs/dbraw/zinc/90/54/12/562905412.db2.gz JDWTWPKCJRCHIA-FIBWVYCGSA-N 1 1 640.206 5.762 1 0 KKAFMO CN1CCCN(S(=O)(=O)c2ccc(C3=C[C@H]4N=CNC(=[NH+]c5ccc(OCc6cccc(F)c6)c(Cl)c5)[C@H]4S3)cc2)CC1 ZINC000474607085 562905428 /nfs/dbraw/zinc/90/54/28/562905428.db2.gz JDWTWPKCJRCHIA-OFSOJUDTSA-N 1 1 640.206 5.762 1 0 KKAFMO C[NH+](C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(-c3n[nH]c(-c4ccccc4I)n3)ccc21 ZINC000474609663 562905576 /nfs/dbraw/zinc/90/55/76/562905576.db2.gz SENYPCLOOXYAMF-MHZLTWQESA-N 1 1 568.434 5.998 1 0 KKAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Br)cc4)C(C)C)ccc3C2)cc1 ZINC000474609684 562905654 /nfs/dbraw/zinc/90/56/54/562905654.db2.gz SKZXSSPANHQDHW-UHFFFAOYSA-N 1 1 584.580 5.145 1 0 KKAFMO Fc1cccc(COc2ccc([NH+]=C3NC=N[C@@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@H]34)cc2Cl)c1 ZINC000474609925 562905752 /nfs/dbraw/zinc/90/57/52/562905752.db2.gz XISMJZPTIYZMMN-NAKRPHOHSA-N 1 1 549.071 6.272 1 0 KKAFMO CCCCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(CCCC)c5c(-c5ccc(OC)cc5)n4)CC3)nc(-c3ccc(OC)cc3)c21 ZINC000653710331 562908111 /nfs/dbraw/zinc/90/81/11/562908111.db2.gz ZLLURNYDAOXZFF-UHFFFAOYSA-N 1 1 771.022 10.962 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000653714187 562908340 /nfs/dbraw/zinc/90/83/40/562908340.db2.gz MZRBFVUGGURYMM-UHFFFAOYSA-N 1 1 527.625 5.044 1 0 KKAFMO CCCCn1c2ccccc2c2cc(CN3CC[NH+](Cc4cc5c6ccccc6n(CCCC)c5cn4)CC3)ncc21 ZINC000653714721 562908449 /nfs/dbraw/zinc/90/84/49/562908449.db2.gz GJEKZYYTVXRPPS-UHFFFAOYSA-N 1 1 558.774 7.610 1 0 KKAFMO Cc1nc2ccccc2c(N(C)c2ccc(OCC[NH+]3CCN(Cc4ccc(F)c(F)c4)CC3)cc2)n1 ZINC000653739196 562910018 /nfs/dbraw/zinc/91/00/18/562910018.db2.gz XRGCRWXAMIOVRA-UHFFFAOYSA-N 1 1 503.597 5.181 1 0 KKAFMO CC1(C)C[C@@H](c2ccc(C(F)(F)F)cc2C2(F)C[NH2+]C2)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2O1 ZINC000653742640 562910222 /nfs/dbraw/zinc/91/02/22/562910222.db2.gz FXSRKEVVPAPAOG-SFHVURJKSA-N 1 1 541.592 5.424 1 0 KKAFMO COc1ccc(OC)c(CCC[N@@H+](CCc2ccc3c(c2)OCO3)CCc2ccc(OC)c(OC)c2)c1 ZINC000653753044 562910782 /nfs/dbraw/zinc/91/07/82/562910782.db2.gz NNXMXZAHWDHMEF-UHFFFAOYSA-N 1 1 507.627 5.170 1 0 KKAFMO Cc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3cccc(-c4ccc(F)cc4)c3)nc2c1 ZINC000653783713 562912260 /nfs/dbraw/zinc/91/22/60/562912260.db2.gz LKALTXCRGLVBNB-UIOOFZCWSA-N 1 1 530.600 5.934 1 0 KKAFMO Cc1ccc2[nH]c(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3cccc(-c4ccc(F)cc4)c3)[nH+]c2c1 ZINC000653783713 562912261 /nfs/dbraw/zinc/91/22/61/562912261.db2.gz LKALTXCRGLVBNB-UIOOFZCWSA-N 1 1 530.600 5.934 1 0 KKAFMO COc1ccc(-c2cc3ccc(OCCC[N@@H+](C)Cc4cccc(OC(=O)NCCCCCc5ccccc5)c4)cc3oc2=O)cc1 ZINC000653830243 562914539 /nfs/dbraw/zinc/91/45/39/562914539.db2.gz VVVHTKDUIOCALE-UHFFFAOYSA-N 1 1 634.773 7.871 1 0 KKAFMO COc1ccc(OC(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12 ZINC000653842796 562914979 /nfs/dbraw/zinc/91/49/79/562914979.db2.gz VWOPHJNKQUYGLG-UHFFFAOYSA-N 1 1 502.442 5.846 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cn(-c3ccccc3C)nn2)cc1F ZINC000653857548 562915819 /nfs/dbraw/zinc/91/58/19/562915819.db2.gz VFTVILZVYXJKLN-UHFFFAOYSA-N 1 1 625.705 5.333 1 0 KKAFMO COc1ccc(CC[N@@H+](CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857918 562915822 /nfs/dbraw/zinc/91/58/22/562915822.db2.gz BINQFCRFCWOLJS-UHFFFAOYSA-N 1 1 526.471 5.915 1 0 KKAFMO O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000653871783 562916441 /nfs/dbraw/zinc/91/64/41/562916441.db2.gz YFYURMLZMLLVAD-ZAJMKWFNSA-N 1 1 531.663 5.780 1 0 KKAFMO COc1cc2ccc1Oc1cc3c(cc1OC)CC[NH+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000070454474 565119583 /nfs/dbraw/zinc/11/95/83/565119583.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COc1cc2ccc1Oc1cc3c(cc1OC)CC[N@H+](C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070454474 565119588 /nfs/dbraw/zinc/11/95/88/565119588.db2.gz KHGZQWZWPVXXTQ-XZWHSSHBSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=CCC[N@H+]3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532429 565137642 /nfs/dbraw/zinc/13/76/42/565137642.db2.gz JRHWWRXBKXOENO-AVDCHBLTSA-N 1 1 601.828 7.439 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532307 565137653 /nfs/dbraw/zinc/13/76/53/565137653.db2.gz ITFGBNSSRAMNKV-YDFILXEUSA-N 1 1 631.854 6.606 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@@H+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3N(C)CC2 ZINC000095919042 565189225 /nfs/dbraw/zinc/18/92/25/565189225.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 1 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CC[N@H+](C)[C@H]4Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@@H]3N(C)CC2 ZINC000095919042 565189228 /nfs/dbraw/zinc/18/92/28/565189228.db2.gz YZGZHFUKHPDLOJ-VMPREFPWSA-N 1 1 608.735 6.440 1 0 biogenic,in-vitro KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c4ccccn4nc3C(C)C)cc2)cc1OC ZINC000003922479 561685922 /nfs/dbraw/zinc/68/59/22/561685922.db2.gz UFVMYINQBBDCKW-UHFFFAOYSA-N 1 1 551.709 5.251 1 0 KKAFMO NC(=O)C[NH+]1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1 ZINC000003950867 561690479 /nfs/dbraw/zinc/69/04/79/561690479.db2.gz QDYHAAJQNSIFDZ-HHHXNRCGSA-N 1 1 652.859 5.317 1 0 KKAFMO O=C(Nc1nc2c(cccc2Cl)s1)N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000003976345 561691932 /nfs/dbraw/zinc/69/19/32/561691932.db2.gz CCWUVBRDCQPCJX-SXWKCWPCSA-N 1 1 515.098 6.724 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[C@H]([N@@H+](C)[C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000003990813 561693319 /nfs/dbraw/zinc/69/33/19/561693319.db2.gz ZTENZJJCFACIAK-ADWVOTLJSA-N 1 1 574.785 6.416 1 0 in-vivo KKAFMO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CC[N@@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000004238074 561694496 /nfs/dbraw/zinc/69/44/96/561694496.db2.gz UDYPYYQWLAVWIG-NRFANRHFSA-N 1 1 506.512 5.401 1 0 KKAFMO O=S(=O)(c1ccccc1)N1CCC[C@@]2(CC[N@H+](Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1 ZINC000004238074 561694498 /nfs/dbraw/zinc/69/44/98/561694498.db2.gz UDYPYYQWLAVWIG-NRFANRHFSA-N 1 1 506.512 5.401 1 0 KKAFMO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)C2)cc1 ZINC000004238109 561694549 /nfs/dbraw/zinc/69/45/49/561694549.db2.gz JKWXBNKJHJXCMX-QHCPKHFHSA-N 1 1 500.483 5.861 1 0 KKAFMO COc1ccc(C(=O)N2CCC[C@@]3(CC[N@@H+](Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)C2)cc1 ZINC000004238109 561694551 /nfs/dbraw/zinc/69/45/51/561694551.db2.gz JKWXBNKJHJXCMX-QHCPKHFHSA-N 1 1 500.483 5.861 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586131 561705940 /nfs/dbraw/zinc/70/59/40/561705940.db2.gz COBDEDAHCPSQHT-QHHIVDTJSA-N 1 1 573.699 8.561 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000008586123 561705977 /nfs/dbraw/zinc/70/59/77/561705977.db2.gz KRBGXVBDTBOSTH-QHHIVDTJSA-N 1 1 505.702 7.542 3 0 KKAFMO FC(F)(F)c1ccc([C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690098 561707673 /nfs/dbraw/zinc/70/76/73/561707673.db2.gz PZIHXYQJOBGJEU-TWXDRBSDSA-N 1 1 586.701 9.456 3 0 KKAFMO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CC[NH+](C)CC1 ZINC000013474175 561714422 /nfs/dbraw/zinc/71/44/22/561714422.db2.gz BQNUUTOEFJBHRB-UHFFFAOYSA-N 1 1 523.681 5.623 1 0 KKAFMO Clc1ccc(C(OCCC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000013487737 561715296 /nfs/dbraw/zinc/71/52/96/561715296.db2.gz HIAVHJJCYNVEFU-ZXLOHBOPSA-N 1 1 508.533 8.365 1 0 KKAFMO COC(=O)CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000013529690 561717662 /nfs/dbraw/zinc/71/76/62/561717662.db2.gz BHKXQYNUEGAIAZ-RTKAOUNRSA-N 1 1 509.731 6.744 1 0 KKAFMO CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2c[nH]cn2)cc1-c1ccccc1C)C(=O)OC1CCCCC1 ZINC000013533236 561717774 /nfs/dbraw/zinc/71/77/74/561717774.db2.gz BIJVUDDMIFVIGJ-NDEPHWFRSA-N 1 1 534.726 5.402 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000013661192 561723534 /nfs/dbraw/zinc/72/35/34/561723534.db2.gz XSULJBUFDAGKHO-KCWPFWIISA-N 1 1 534.741 6.863 3 0 KKAFMO Cn1c(=O)c2ccccc2c(-c2ccccc2)c1C[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013742632 561726326 /nfs/dbraw/zinc/72/63/26/561726326.db2.gz IOACPIKKSGPKPW-UHFFFAOYSA-N 1 1 504.474 6.875 1 0 KKAFMO Cn1c(=O)c2ccccc2c(-c2ccccc2)c1C[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013742632 561726329 /nfs/dbraw/zinc/72/63/29/561726329.db2.gz IOACPIKKSGPKPW-UHFFFAOYSA-N 1 1 504.474 6.875 1 0 KKAFMO COc1ccc(C[N@@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013473317 561714349 /nfs/dbraw/zinc/71/43/49/561714349.db2.gz ZMEAEUNNMHQAJK-UHFFFAOYSA-N 1 1 508.662 5.826 1 0 KKAFMO COc1ccc(C[N@@H+](CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1 ZINC000013473320 561714367 /nfs/dbraw/zinc/71/43/67/561714367.db2.gz DIASBTZRVLJKDB-UHFFFAOYSA-N 1 1 526.652 5.965 1 0 KKAFMO COc1ccc(C[N@@H+](C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000013781684 561729453 /nfs/dbraw/zinc/72/94/53/561729453.db2.gz AENYUXFGNVUDBE-MUUNZHRXSA-N 1 1 528.759 6.101 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4nc5ccccc5c(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000013800206 561730537 /nfs/dbraw/zinc/73/05/37/561730537.db2.gz RGTDBBNDZCCUAV-RVLOQZQWSA-N 1 1 502.614 5.307 1 0 KKAFMO COc1cc([C@@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013830814 561733216 /nfs/dbraw/zinc/73/32/16/561733216.db2.gz OFSNSRZUEWQAFB-WIYYLYMNSA-N 1 1 525.642 5.398 1 0 KKAFMO O=C1CC[N@H+](CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013829801 561733267 /nfs/dbraw/zinc/73/32/67/561733267.db2.gz VBTKCUFWEXQSPZ-SANMLTNESA-N 1 1 509.513 6.060 1 0 KKAFMO COc1cc([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc32)cc(OC)c1OC ZINC000013830816 561733280 /nfs/dbraw/zinc/73/32/80/561733280.db2.gz OFSNSRZUEWQAFB-NQIIRXRSSA-N 1 1 525.642 5.398 1 0 KKAFMO CC(C)(C)NC(=O)Nc1nc2nc(NCCC[NH+]3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl ZINC000014944243 561742354 /nfs/dbraw/zinc/74/23/54/561742354.db2.gz QJIICVSRCKDXPF-UHFFFAOYSA-N 1 1 532.476 5.053 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(C(F)(F)F)c5)cc4)c3c2)cs1 ZINC000014945045 561742647 /nfs/dbraw/zinc/74/26/47/561742647.db2.gz OOURSYCFPYHWPU-UHFFFAOYSA-N 1 1 613.687 6.229 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)cs1 ZINC000014945047 561742871 /nfs/dbraw/zinc/74/28/71/561742871.db2.gz AXVKGZLOECWENV-UHFFFAOYSA-N 1 1 580.135 5.864 1 0 KKAFMO Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5C[NH+]5CCOCC5)cc3)CC4)cc12 ZINC000014950441 561745569 /nfs/dbraw/zinc/74/55/69/561745569.db2.gz WLRAVKVAWRRKIZ-UHFFFAOYSA-N 1 1 588.590 5.317 1 0 KKAFMO CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@H+]5C)c4)oc3c(F)c2)ccn1 ZINC000014965343 561749396 /nfs/dbraw/zinc/74/93/96/561749396.db2.gz QLSXSSVKJHMGDQ-INIZCTEOSA-N 1 1 525.968 5.384 1 0 KKAFMO NC(=O)Cc1cccc(OCCC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1 ZINC000014973001 561751722 /nfs/dbraw/zinc/75/17/22/561751722.db2.gz XMGCJZBZVMGBQN-UHFFFAOYSA-N 1 1 564.623 6.976 1 0 KKAFMO COc1cc(OC)c2c(c1[C@@H](CC[NH+]1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017545664 561755862 /nfs/dbraw/zinc/75/58/62/561755862.db2.gz RHFCZKFQFOFAIG-WUFINQPMSA-N 1 1 573.734 5.131 3 0 KKAFMO COc1cc([C@@H](CC[N@H+]2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc32)cc(OC)c1OC ZINC000017545707 561755884 /nfs/dbraw/zinc/75/58/84/561755884.db2.gz UNKQRIKLJYKDOX-RCZVLFRGSA-N 1 1 587.713 6.757 3 0 KKAFMO COc1ccc([C@@H]2CC(=O)Oc3c([C@H](CC[N@H+]4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545785 561756003 /nfs/dbraw/zinc/75/60/03/561756003.db2.gz KTJZESHDLXWFPF-ZPJFYFFZSA-N 1 1 572.746 6.473 3 0 KKAFMO Clc1ccc([C@H]2[C@H]3C[N@@H+](Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000017577500 561756710 /nfs/dbraw/zinc/75/67/10/561756710.db2.gz BRNGMYIYCLGEIK-VLSDCWDMSA-N 1 1 554.137 8.486 3 0 KKAFMO COc1cc(OC)c2c(c1[C@H](CC[N@H+]1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655027 561757800 /nfs/dbraw/zinc/75/78/00/561757800.db2.gz SVGCVFQVDCWGPY-DQWNXYKBSA-N 1 1 585.789 6.531 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NCc4ccccc4)nc3n2)CC1 ZINC000021289438 561758830 /nfs/dbraw/zinc/75/88/30/561758830.db2.gz XARWOHKDCBRPBQ-UHFFFAOYSA-N 1 1 579.536 5.370 1 0 KKAFMO O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022594930 561759338 /nfs/dbraw/zinc/75/93/38/561759338.db2.gz SAUHQIZTUCMCNU-UHFFFAOYSA-N 1 1 614.778 7.011 1 0 KKAFMO CO[C@@H](CSc1ccccc1)C[NH+]1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022924718 561759622 /nfs/dbraw/zinc/75/96/22/561759622.db2.gz MLTMTBFVYXFOGY-MUUNZHRXSA-N 1 1 510.694 6.302 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941891 561761171 /nfs/dbraw/zinc/76/11/71/561761171.db2.gz HMVJROBJYQFKLV-GOTSBHOMSA-N 1 1 501.637 6.084 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC45CC6CC(CC(C6)C4)C5)nc3n2)CC1 ZINC000023357754 561761587 /nfs/dbraw/zinc/76/15/87/561761587.db2.gz PSGCJFMDGKOFIG-UHFFFAOYSA-N 1 1 623.633 6.138 1 0 KKAFMO Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](C[N@@H+](C)CCOc1ccc(C=C3SC(=O)NC3=O)cc1)C(C)(C)O2 ZINC000025964457 561763039 /nfs/dbraw/zinc/76/30/39/561763039.db2.gz DKTFEUJGLCUSHM-ZNBSHBAVSA-N 1 1 586.754 6.780 1 0 KKAFMO CONC(=O)Nc1ccc(-c2nc3n(c2C[N@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000026186025 561772621 /nfs/dbraw/zinc/77/26/21/561772621.db2.gz CPOKDRFUMFBXKB-UHFFFAOYSA-N 1 1 644.679 5.370 1 0 KKAFMO CONC(=O)Nc1ccc(-c2nc3n(c2C[N@@H+](C)Cc2ccccc2)c(=O)c(C(=O)OC(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000026186025 561772623 /nfs/dbraw/zinc/77/26/23/561772623.db2.gz CPOKDRFUMFBXKB-UHFFFAOYSA-N 1 1 644.679 5.370 1 0 KKAFMO CCNC(=O)c1ccc(C(c2ccc(OC)cc2)=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2Cl)cc1 ZINC000026246782 561773418 /nfs/dbraw/zinc/77/34/18/561773418.db2.gz JAJSMFLIMIJRDG-MKPDMIMOSA-N 1 1 501.070 6.727 1 0 KKAFMO CC(C)[C@@H]1NC(=O)c2cc3ccccc3cc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O ZINC000026295406 561781318 /nfs/dbraw/zinc/78/13/18/561781318.db2.gz ZABNQKMXHNVFGT-PTQZIYOYSA-N 1 1 726.959 5.639 1 0 KKAFMO COc1ccc([C@@H](CCCCCC[N@H+]2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OCCn1ccnc1 ZINC000026267282 561776549 /nfs/dbraw/zinc/77/65/49/561776549.db2.gz CNORTMXIZFGKGH-DIPNUNPCSA-N 1 1 629.867 8.139 1 0 KKAFMO COc1cc(OC2CC[NH+](Cc3c(C)cc(C)[n+]([O-])c3C)CC2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026267814 561776625 /nfs/dbraw/zinc/77/66/25/561776625.db2.gz SLIWXMSTLWROJA-UHFFFAOYSA-N 1 1 632.733 5.198 1 0 KKAFMO Cc1ccccc1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026268211 561776695 /nfs/dbraw/zinc/77/66/95/561776695.db2.gz CWRFGTWBBWBDRR-UIOOFZCWSA-N 1 1 539.720 5.686 1 0 KKAFMO Cc1ccccc1C(=O)N1CCC(N2CC[N@@H+]([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026268211 561776696 /nfs/dbraw/zinc/77/66/96/561776696.db2.gz CWRFGTWBBWBDRR-UIOOFZCWSA-N 1 1 539.720 5.686 1 0 KKAFMO Cc1ccccc1C(=O)N1CCC(N2CC[N@H+]([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000026268211 561776698 /nfs/dbraw/zinc/77/66/98/561776698.db2.gz CWRFGTWBBWBDRR-UIOOFZCWSA-N 1 1 539.720 5.686 1 0 KKAFMO COc1ccc2c(c1)CC[N@H+](CCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026269374 561776887 /nfs/dbraw/zinc/77/68/87/561776887.db2.gz QBYHJXFWLJFTMH-HKBQPEDESA-N 1 1 505.724 7.473 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@H+](C)CCc2ccccn2)c(=O)c(-c2cccc(F)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026282034 561779153 /nfs/dbraw/zinc/77/91/53/561779153.db2.gz DZROVEXFEPKPSQ-UHFFFAOYSA-N 1 1 605.689 6.543 1 0 KKAFMO COc1ccc(-c2nc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(-c2cccc(F)c2)c(C)n3Cc2ccccc2F)cc1 ZINC000026282034 561779154 /nfs/dbraw/zinc/77/91/54/561779154.db2.gz DZROVEXFEPKPSQ-UHFFFAOYSA-N 1 1 605.689 6.543 1 0 KKAFMO CC(C)(C)NC(=O)[C@H](CC1CCCCC1)[N@H+]1CCC[C@](O)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000026288544 561780188 /nfs/dbraw/zinc/78/01/88/561780188.db2.gz FZLZBVSWEAAWAB-ZBKIVJSUSA-N 1 1 529.766 5.203 1 0 KKAFMO NC(=O)CN[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 561787267 /nfs/dbraw/zinc/78/72/67/561787267.db2.gz OXQZXDGLSIMETJ-UHSQPCAPSA-N 1 1 706.555 7.149 1 0 KKAFMO COCC[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(NC(=O)Nc5ccccc5)ccc43)cc12 ZINC000026467825 561789954 /nfs/dbraw/zinc/78/99/54/561789954.db2.gz JWZNKJCEYMWLHS-XMMPIXPASA-N 1 1 508.626 5.804 1 0 KKAFMO Cc1ccsc1[C@H](c1ccccc1Br)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502133 561795789 /nfs/dbraw/zinc/79/57/89/561795789.db2.gz RBAOEFGCRCKOOF-DEOSSOPVSA-N 1 1 545.510 5.860 1 0 KKAFMO Cc1ccsc1[C@@H](c1ccccc1Br)[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502135 561795826 /nfs/dbraw/zinc/79/58/26/561795826.db2.gz RBAOEFGCRCKOOF-XMMPIXPASA-N 1 1 545.510 5.860 1 0 KKAFMO O[C@H](Cn1cnc2c1ncnc2-c1ccc2ccccc2c1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026576505 561800351 /nfs/dbraw/zinc/80/03/51/561800351.db2.gz CGTJDJAUSDYKFM-HKBQPEDESA-N 1 1 554.698 5.415 1 0 KKAFMO Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1c(C)cccc1OCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000026578496 561803417 /nfs/dbraw/zinc/80/34/17/561803417.db2.gz FTZBWFGITOOILH-UHFFFAOYSA-N 1 1 557.698 6.185 1 0 KKAFMO COc1c2ccoc2c(OC)c2oc(CN3CCC(CCCC4CC[NH+](Cc5cc(=O)c6c(OC)c7ccoc7c(OC)c6o5)CC4)CC3)cc(=O)c12 ZINC000026580033 561805363 /nfs/dbraw/zinc/80/53/63/561805363.db2.gz SMHRGLHBJXWIIW-UHFFFAOYSA-N 1 1 726.823 7.721 1 0 KKAFMO CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(N(CCOC)CCOC)cc(C)[nH+]c34)c2Cl)cc1 ZINC000026638866 561806354 /nfs/dbraw/zinc/80/63/54/561806354.db2.gz QUAUCRSWIAYKPW-LFIBNONCSA-N 1 1 722.670 5.680 1 0 KKAFMO Cc1cc(N2CCCCC2)c2cccc(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)Nc5ccncc5)cc4)c3Cl)c2[nH+]1 ZINC000026640873 561806657 /nfs/dbraw/zinc/80/66/57/561806657.db2.gz YGKFHQOPJLTCHV-LFIBNONCSA-N 1 1 737.688 7.859 1 0 KKAFMO C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)NCc2ccc(CNC(=O)c3ccc(C(F)(F)F)cc3)cc2)C1 ZINC000026642877 561806999 /nfs/dbraw/zinc/80/69/99/561806999.db2.gz VINPBPAOFNCDSB-IZZNHLLZSA-N 1 1 544.017 5.641 1 0 KKAFMO O=S(=O)(c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1)N(Cc1cnc[nH]1)CC1CCCCC1 ZINC000026647196 561807682 /nfs/dbraw/zinc/80/76/82/561807682.db2.gz PSWYHQCKXJITGM-UHFFFAOYSA-N 1 1 535.541 5.820 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026672993 561813017 /nfs/dbraw/zinc/81/30/17/561813017.db2.gz KELBGYUMHHRSDV-UHFFFAOYSA-N 1 1 550.103 5.585 1 0 KKAFMO Oc1ccc2c3c1O[C@@H]1c4[nH]c5cccc(OCc6ccccc6)c5c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026728234 561816276 /nfs/dbraw/zinc/81/62/76/561816276.db2.gz BNKGLONSJXLHNY-PFFZYSGCSA-N 1 1 520.629 5.152 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4[nH]c5c(cccc5OCc5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000026729837 561816696 /nfs/dbraw/zinc/81/66/96/561816696.db2.gz RXOYYGMYKUAUNP-RVLOQZQWSA-N 1 1 520.629 5.152 1 0 KKAFMO Cn1c2ccc(Cl)cc2c(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1-c1ccc(Cl)cc1 ZINC000026821239 561821109 /nfs/dbraw/zinc/82/11/09/561821109.db2.gz YAKMMNSOJKYUEW-UHFFFAOYSA-N 1 1 506.477 6.429 1 0 KKAFMO Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3C[N@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026822216 561821379 /nfs/dbraw/zinc/82/13/79/561821379.db2.gz HJLBYGARYJZYPE-AJQTZOPKSA-N 1 1 556.799 5.323 1 0 KKAFMO Cn1nnnc1-c1ccc(CCCC2(O)CCN(C[C@H]3C[N@@H+](CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000026822216 561821380 /nfs/dbraw/zinc/82/13/80/561821380.db2.gz HJLBYGARYJZYPE-AJQTZOPKSA-N 1 1 556.799 5.323 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)C1 ZINC000027083348 561835620 /nfs/dbraw/zinc/83/56/20/561835620.db2.gz BYTINRYNDVFJIV-YTCPBCGMSA-N 1 1 529.750 5.882 1 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@H+]3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026838381 561825030 /nfs/dbraw/zinc/82/50/30/561825030.db2.gz DDSLRSIEDFCEEP-DTISGFQVSA-N 1 1 562.113 7.663 1 0 KKAFMO O=C(C[NH2+]C1CCN(Cc2ccccc2)CC1)N1CCN(C(=O)c2ccccc2)C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000026848230 561826879 /nfs/dbraw/zinc/82/68/79/561826879.db2.gz YYLWLQSLLOQPBL-GDLZYMKVSA-N 1 1 565.545 5.273 1 0 KKAFMO CC(=O)Nc1ccc(C[NH+]2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000026851731 561827258 /nfs/dbraw/zinc/82/72/58/561827258.db2.gz HOLYVOXJFVZCRT-XIFFEERXSA-N 1 1 650.651 5.849 1 0 KKAFMO CC1=NC(=O)N(C(=O)OC2CC[NH+](Cc3ccccc3)CC2)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OCC(C)C ZINC000026960304 561829565 /nfs/dbraw/zinc/82/95/65/561829565.db2.gz SUEFKCGTIDVUOI-SANMLTNESA-N 1 1 573.612 6.046 1 0 KKAFMO CCOC(=O)C1C(C)=NC(=S)N(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026968692 561830174 /nfs/dbraw/zinc/83/01/74/561830174.db2.gz PKVDFWRNVZYXLU-DJWLMZILSA-N 1 1 547.599 6.025 1 0 KKAFMO CCOC(=O)C1C(C)=NC(=S)N(C(=O)OCC[N@@H+](C)Cc2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000026969478 561830287 /nfs/dbraw/zinc/83/02/87/561830287.db2.gz DTZAAXDHXCAIEY-MOBKVPTQSA-N 1 1 535.588 5.883 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081955 561835329 /nfs/dbraw/zinc/83/53/29/561835329.db2.gz PIAPBQYSIJZAPM-MUQYBZNMSA-N 1 1 687.907 5.080 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081955 561835331 /nfs/dbraw/zinc/83/53/31/561835331.db2.gz PIAPBQYSIJZAPM-MUQYBZNMSA-N 1 1 687.907 5.080 1 0 KKAFMO Cc1cccc(O)c1C(=O)N1CCC(C)([N@H+]2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 ZINC000026994007 561832980 /nfs/dbraw/zinc/83/29/80/561832980.db2.gz KFQDPQKXTSWQOC-SFTDATJTSA-N 1 1 561.508 5.067 1 0 KKAFMO CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998125 561833670 /nfs/dbraw/zinc/83/36/70/561833670.db2.gz SJZGJLYNRZRTHV-UTEVTPAPSA-N 1 1 693.914 6.136 1 0 KKAFMO Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nc(NC[C@@H]5CCCO5)cc[nH+]4)c3)o1)C(C)(C)CCC2(C)C ZINC000027186464 561842744 /nfs/dbraw/zinc/84/27/44/561842744.db2.gz UDDPYAUUOAMMFB-PMERELPUSA-N 1 1 621.826 7.451 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccccc4C)CC3)c2)C1C(=O)OC ZINC000027298351 561848644 /nfs/dbraw/zinc/84/86/44/561848644.db2.gz PQRZSPMLPNRTTB-SKDBZILTSA-N 1 1 589.737 5.140 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000027327353 561853941 /nfs/dbraw/zinc/85/39/41/561853941.db2.gz VJPLLPRJJWJKBP-UHFFFAOYSA-N 1 1 580.704 6.515 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(N)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000027327353 561853943 /nfs/dbraw/zinc/85/39/43/561853943.db2.gz VJPLLPRJJWJKBP-UHFFFAOYSA-N 1 1 580.704 6.515 1 0 KKAFMO O=C(/C=C/c1ccc(Sc2ccccc2C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1)N1CCOCC1 ZINC000027327387 561853954 /nfs/dbraw/zinc/85/39/54/561853954.db2.gz PODGAZYUFOSBKT-JXMROGBWSA-N 1 1 592.161 5.410 1 0 KKAFMO C[N@@H+](CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431950 561859533 /nfs/dbraw/zinc/85/95/33/561859533.db2.gz VLRKCLYSNVDLNZ-PBBNMVCDSA-N 1 1 572.768 5.052 1 0 KKAFMO Clc1ccc2c(c1)nccc2NCCCOCCOCCOCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027442193 561860992 /nfs/dbraw/zinc/86/09/92/561860992.db2.gz LPQALLZGAJWELF-UHFFFAOYSA-N 1 1 543.495 6.444 1 0 KKAFMO O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC[C@H]1[C@H](CN1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000027517541 561861324 /nfs/dbraw/zinc/86/13/24/561861324.db2.gz SIRMQLLMKUZYMJ-IHLOFXLRSA-N 1 1 609.699 7.382 1 0 KKAFMO CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)[nH+]c1N(CC)CC ZINC000027519608 561863193 /nfs/dbraw/zinc/86/31/93/561863193.db2.gz AGKOFSMXHVZNDI-DFAXFWRBSA-N 1 1 627.918 6.555 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526322 561866337 /nfs/dbraw/zinc/86/63/37/561866337.db2.gz KTSCUAMGSPLOJT-CHJDUVSTSA-N 1 1 581.704 5.810 1 0 KKAFMO CCOP(=O)(OCC)OC1=CC[N@@H+](Cc2ccccc2)C[C@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564674 561872044 /nfs/dbraw/zinc/87/20/44/561872044.db2.gz UMICGKRYLVIYSJ-RUZDIDTESA-N 1 1 554.624 7.181 1 0 KKAFMO Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CC[N@H+]4CC2CC2)[C@H]3O6)cc1 ZINC000027620913 561872576 /nfs/dbraw/zinc/87/25/76/561872576.db2.gz IHKXHYSWZMLTBZ-LMUOQGPPSA-N 1 1 544.695 5.917 1 0 KKAFMO CCCCc1ccc(/C=C/C(=O)NCCCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000027705956 561878755 /nfs/dbraw/zinc/87/87/55/561878755.db2.gz JSSSKYCPNUOBGL-CZIZESTLSA-N 1 1 510.726 5.741 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(F)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027705911 561878758 /nfs/dbraw/zinc/87/87/58/561878758.db2.gz NXKJUGPOZWOVPC-UHFFFAOYSA-N 1 1 604.682 6.497 1 0 KKAFMO O=C(/C=C/c1ccc(Oc2ccccc2)nc1)NCCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027655831 561877521 /nfs/dbraw/zinc/87/75/21/561877521.db2.gz KHFBZGCVIWDUMD-CZIZESTLSA-N 1 1 546.715 6.191 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@H+](C)Cc2ccccc2OC)C1 ZINC000027656406 561877684 /nfs/dbraw/zinc/87/76/84/561877684.db2.gz PYMQWQVPOYGEIM-WNOXWKSXSA-N 1 1 683.938 7.491 1 0 KKAFMO CCCCCN(CCCCC)C(=O)[C@H]1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)NCC[N@@H+](C)Cc2ccccc2OC)C1 ZINC000027656406 561877686 /nfs/dbraw/zinc/87/76/86/561877686.db2.gz PYMQWQVPOYGEIM-WNOXWKSXSA-N 1 1 683.938 7.491 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(Cl)ccc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000027707565 561878953 /nfs/dbraw/zinc/87/89/53/561878953.db2.gz WBHJVSYCARQJAN-UHFFFAOYSA-N 1 1 621.137 7.011 1 0 KKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1 ZINC000027714817 561880176 /nfs/dbraw/zinc/88/01/76/561880176.db2.gz IAGAQJVXUOJREH-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(C(F)(F)F)cc2)C1)c1ccc(F)cc1 ZINC000027714817 561880177 /nfs/dbraw/zinc/88/01/77/561880177.db2.gz IAGAQJVXUOJREH-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000027725718 561880838 /nfs/dbraw/zinc/88/08/38/561880838.db2.gz OSPSRUWHYMZFBP-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO O[C@@H](CCC[N@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1cccc(C(F)(F)F)c1 ZINC000027725718 561880839 /nfs/dbraw/zinc/88/08/39/561880839.db2.gz OSPSRUWHYMZFBP-MHZLTWQESA-N 1 1 500.511 6.799 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nc[nH]c3c2)c1 ZINC000027982102 561891830 /nfs/dbraw/zinc/89/18/30/561891830.db2.gz RXVQNEUGWIPVMN-WDEPAJCISA-N 1 1 587.812 7.695 1 0 KKAFMO O=C(N[C@H](CCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)OCc1ccccc1 ZINC000027990512 561892997 /nfs/dbraw/zinc/89/29/97/561892997.db2.gz XEUBVSYNZCCVPR-YBZKQSBQSA-N 1 1 618.822 7.134 1 0 KKAFMO O=C(N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000028002407 561894962 /nfs/dbraw/zinc/89/49/62/561894962.db2.gz LZKLRYNDKQXBDX-CDZUIXILSA-N 1 1 554.735 6.008 1 0 KKAFMO CCCn1cc(CCc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028010068 561896252 /nfs/dbraw/zinc/89/62/52/561896252.db2.gz KDBYGNXOSUZUDJ-UQDPWRLZSA-N 1 1 596.860 7.007 1 0 KKAFMO CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013581 561896786 /nfs/dbraw/zinc/89/67/86/561896786.db2.gz MEIWEAHNGJVULN-NXLXXTAESA-N 1 1 678.893 8.354 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014575 561897144 /nfs/dbraw/zinc/89/71/44/561897144.db2.gz DOPPOXSLOURTSB-FZKFUBHISA-N 1 1 589.800 6.069 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016364 561897445 /nfs/dbraw/zinc/89/74/45/561897445.db2.gz SESNYPNPIJXNNP-DSYZROQBSA-N 1 1 602.839 7.151 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc5c(c4)OCO5)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028019886 561898258 /nfs/dbraw/zinc/89/82/58/561898258.db2.gz YHXSYDDMGBQKTA-NZUHDKDNSA-N 1 1 604.767 5.756 1 0 KKAFMO CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022008 561898677 /nfs/dbraw/zinc/89/86/77/561898677.db2.gz ALNIPKRVLOOYCX-LYEZUSGXSA-N 1 1 602.839 7.151 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022572 561898823 /nfs/dbraw/zinc/89/88/23/561898823.db2.gz BCCBFGWJXWGRSI-UMSFTDKQSA-N 1 1 606.785 6.745 1 0 KKAFMO O=C(Nc1cccc(-c2nc3c(ncnc3N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1)c1ccc(F)cc1 ZINC000028086589 561899228 /nfs/dbraw/zinc/89/92/28/561899228.db2.gz CAQXAJWFVJDJDE-JYFHCDHNSA-N 1 1 534.595 5.387 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028088080 561899440 /nfs/dbraw/zinc/89/94/40/561899440.db2.gz BYGHXMKCHHHFAS-FZKFUBHISA-N 1 1 658.781 6.968 1 0 KKAFMO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)c1 ZINC000028092242 561900089 /nfs/dbraw/zinc/90/00/89/561900089.db2.gz ZMWYPHJRULTAQZ-XNMGPUDCSA-N 1 1 530.632 5.177 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028093220 561900367 /nfs/dbraw/zinc/90/03/67/561900367.db2.gz HLZAJLBSYWFNOU-BYBKDXPSSA-N 1 1 666.882 7.606 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028096648 561900900 /nfs/dbraw/zinc/90/09/00/561900900.db2.gz AZCPMEMQWSWETI-PEMZAYNASA-N 1 1 608.774 6.175 1 0 KKAFMO O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000028098052 561901097 /nfs/dbraw/zinc/90/10/97/561901097.db2.gz KUKJOLRCPDCJAJ-UUWRZZSWSA-N 1 1 650.908 6.222 1 0 KKAFMO CCn1nc(Cc2ccc(C(F)(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028099415 561901426 /nfs/dbraw/zinc/90/14/26/561901426.db2.gz TXDOSWQGMXTMBQ-LEFKNYOOSA-N 1 1 628.755 7.046 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000028100285 561901564 /nfs/dbraw/zinc/90/15/64/561901564.db2.gz VRGCBLCNWHWXFW-ZEQKJWHPSA-N 1 1 584.602 6.267 1 0 KKAFMO C[N@H+]1CCCN(c2cccc(-c3ccc(C(=O)Nc4ccc(Cl)cc4C(=O)Nc4ccc(Cl)cn4)cc3)c2)CC1 ZINC000028104507 561902160 /nfs/dbraw/zinc/90/21/60/561902160.db2.gz DDBPATJFLOVVBV-UHFFFAOYSA-N 1 1 574.512 6.702 1 0 KKAFMO C[N@H+]1CCCN(CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028104748 561902214 /nfs/dbraw/zinc/90/22/14/561902214.db2.gz MGFWTVPFIGCNLG-UHFFFAOYSA-N 1 1 622.835 7.057 1 0 KKAFMO CN1CCC[N@H+](CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028104748 561902215 /nfs/dbraw/zinc/90/22/15/561902215.db2.gz MGFWTVPFIGCNLG-UHFFFAOYSA-N 1 1 622.835 7.057 1 0 KKAFMO CN1CCC[N@@H+](CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000028104748 561902217 /nfs/dbraw/zinc/90/22/17/561902217.db2.gz MGFWTVPFIGCNLG-UHFFFAOYSA-N 1 1 622.835 7.057 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000028126379 561904915 /nfs/dbraw/zinc/90/49/15/561904915.db2.gz HCNXPYMDAMAEAE-LOSJGSFVSA-N 1 1 590.756 6.675 1 0 KKAFMO O=C(c1ccc2ncccc2c1)N1CCC([N@@H+]2CC[C@H](Cc3ccc(Cl)c(Cl)c3)[C@H](CF)C2)CC1 ZINC000028130379 561905630 /nfs/dbraw/zinc/90/56/30/561905630.db2.gz FVAOVJNENUJPIS-NFBKMPQASA-N 1 1 514.472 6.297 1 0 KKAFMO O=C(c1ccc2ncccc2c1)N1CCC([N@@H+]2CC[C@H](Cc3ccc(Cl)c(Cl)c3)[C@H](CO)C2)CC1 ZINC000028130372 561905655 /nfs/dbraw/zinc/90/56/55/561905655.db2.gz BKSRLDUBSLBPQQ-OFNKIYASSA-N 1 1 512.481 5.319 1 0 KKAFMO CC(C)NC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028244720 561910677 /nfs/dbraw/zinc/91/06/77/561910677.db2.gz WCNLMXWMUNFZFK-UHFFFAOYSA-N 1 1 679.793 7.369 1 0 KKAFMO CCc1cc(NC(=O)NC[C@H]2C[N@@H+](CCc3ccc(F)cc3)CC[C@@H]2c2ccccc2)cc(-c2nnnn2C)c1 ZINC000028331860 561912842 /nfs/dbraw/zinc/91/28/42/561912842.db2.gz VEPDAXLMTILHTF-LITSAYRRSA-N 1 1 541.675 5.049 1 0 KKAFMO O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](C[NH+]2CCC(CC[C@@H](CO)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028234835 561909571 /nfs/dbraw/zinc/90/95/71/561909571.db2.gz NMMHDJMVQJIRJO-TUXGATLDSA-N 1 1 540.695 5.502 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(CCC(=O)c3ccc(F)cc3)CC2)[C@@H](c2ccccc2)C1 ZINC000028236761 561909832 /nfs/dbraw/zinc/90/98/32/561909832.db2.gz YDBGAVBSGNGJBY-QTKNLHBISA-N 1 1 534.716 6.250 1 0 KKAFMO Cc1cc(Cl)c2cc(C(=O)Nc3cccc(-c4ccc(C(=O)N[C@@H](C(=O)N5CCNCC5)c5ccc(OCCC[NH+](C)C)cc5)o4)c3)ccc2n1 ZINC000028455603 561923583 /nfs/dbraw/zinc/92/35/83/561923583.db2.gz AFMIYSIQIPKOSA-PSXMRANNSA-N 1 1 709.247 5.942 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@H+](CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028463320 561925761 /nfs/dbraw/zinc/92/57/61/561925761.db2.gz IAPBVJCDTHIXQJ-UHFFFAOYSA-N 1 1 522.537 7.387 1 0 KKAFMO Cc1cc(C)c(-n2c3ccccc3n3c(C[N@@H+](CCC(F)(F)F)CC4CC4)c(C(F)(F)F)nc32)c(C)c1 ZINC000028463320 561925762 /nfs/dbraw/zinc/92/57/62/561925762.db2.gz IAPBVJCDTHIXQJ-UHFFFAOYSA-N 1 1 522.537 7.387 1 0 KKAFMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472096 561927092 /nfs/dbraw/zinc/92/70/92/561927092.db2.gz LISDALNKNJFZIL-NRFANRHFSA-N 1 1 539.507 5.217 1 0 KKAFMO O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCC([N@H+]2CCC[C@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028472632 561927275 /nfs/dbraw/zinc/92/72/75/561927275.db2.gz HXLPXRVFECQWCN-LJQANCHMSA-N 1 1 555.510 5.185 1 0 KKAFMO C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC([N@H+]2CCC[C@@H](CNC(=O)c3ccc4ncccc4c3)C2)CC1 ZINC000028474825 561927712 /nfs/dbraw/zinc/92/77/12/561927712.db2.gz WCKZXUZPEYGEII-RTWAWAEBSA-N 1 1 525.524 6.209 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccc2ncccc2c1 ZINC000028474846 561927748 /nfs/dbraw/zinc/92/77/48/561927748.db2.gz NKESGSSPZVLTKI-NRFANRHFSA-N 1 1 511.497 5.648 1 0 KKAFMO C[NH+](C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000028475203 561927760 /nfs/dbraw/zinc/92/77/60/561927760.db2.gz INQGOZPUMJRPOU-YZNIXAGQSA-N 1 1 597.587 5.056 1 0 KKAFMO CCC[N@@H+]1[C@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@@H]1C ZINC000028522916 561929686 /nfs/dbraw/zinc/92/96/86/561929686.db2.gz ZWKRKMCSEOLRAV-PLQXJYEYSA-N 1 1 548.731 6.731 1 0 KKAFMO COc1cc(-c2cc(SC)n(-c3nc(N4CCN(Cc5ccccc5)CC4)nc(N4CC[NH+](Cc5ccccc5)CC4)n3)n2)cc(OC)c1OC ZINC000028528064 561932774 /nfs/dbraw/zinc/93/27/74/561932774.db2.gz JAASTWRHKRJCHC-UHFFFAOYSA-N 1 1 707.905 5.116 1 0 KKAFMO O=C(Cc1ccccc1)NCC1([NH+]2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)c3ccc(F)cc3)CC2)CCCCC1 ZINC000028529297 561934004 /nfs/dbraw/zinc/93/40/04/561934004.db2.gz ZWDILFQYOOWINU-WJOKGBTCSA-N 1 1 619.181 5.026 1 0 KKAFMO COC(=O)[C@@H](C)[NH+]1CCC(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565268 561936030 /nfs/dbraw/zinc/93/60/30/561936030.db2.gz PQKRNNAFDPMGSF-QGZVFWFLSA-N 1 1 587.906 7.498 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[NH+](Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000028570782 561938959 /nfs/dbraw/zinc/93/89/59/561938959.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N 1 1 561.726 6.290 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[NH+](Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000028570782 561938961 /nfs/dbraw/zinc/93/89/61/561938961.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N 1 1 561.726 6.290 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[N@@H+](Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028570782 561938963 /nfs/dbraw/zinc/93/89/63/561938963.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N 1 1 561.726 6.290 1 0 KKAFMO C[C@@H]1CN([C@H](c2ccc3c(c2)C[N@H+](Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000028570782 561938965 /nfs/dbraw/zinc/93/89/65/561938965.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N 1 1 561.726 6.290 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[NH+](CCC(=O)[O-])C3)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568899 561937511 /nfs/dbraw/zinc/93/75/11/561937511.db2.gz JBRMBTUADMJWQH-FXZPAHAQSA-N 1 1 513.682 5.170 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@@H+](CCC(=O)[O-])C3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568899 561937512 /nfs/dbraw/zinc/93/75/12/561937512.db2.gz JBRMBTUADMJWQH-FXZPAHAQSA-N 1 1 513.682 5.170 1 0 KKAFMO COc1cccc([C@@H](c2ccc3c(c2)C[N@H+](CCC(=O)[O-])C3)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568899 561937513 /nfs/dbraw/zinc/93/75/13/561937513.db2.gz JBRMBTUADMJWQH-FXZPAHAQSA-N 1 1 513.682 5.170 1 0 KKAFMO Fc1ccc(Nc2nc(Nc3ccc(F)c(F)c3)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1F ZINC000028572089 561939785 /nfs/dbraw/zinc/93/97/85/561939785.db2.gz HSOYFRJESMELNJ-UHFFFAOYSA-N 1 1 509.511 5.237 1 0 KKAFMO CN1CCN([C@@H](CN2CC[NH+](CCCCCc3cccc4ccccc43)CC2)c2ccc(F)cc2)CC1 ZINC000028646110 561944835 /nfs/dbraw/zinc/94/48/35/561944835.db2.gz HACIOHWUGCOLEL-YTTGMZPUSA-N 1 1 502.722 5.298 1 0 KKAFMO CCCCCC[C@@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704027 561948125 /nfs/dbraw/zinc/94/81/25/561948125.db2.gz PZTOZWZKJLRLIC-OHZZBQFHSA-N 1 1 620.722 9.156 1 0 KKAFMO COC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704092 561948321 /nfs/dbraw/zinc/94/83/21/561948321.db2.gz PBLHODZBJXXWDD-WMQPQHNASA-N 1 1 530.606 5.953 1 0 KKAFMO COC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704086 561948329 /nfs/dbraw/zinc/94/83/29/561948329.db2.gz PBLHODZBJXXWDD-JEDUBMGFSA-N 1 1 530.606 5.953 1 0 KKAFMO Cc1cc2c(cc1OCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2[nH]cc[nH+]2)cc1 ZINC000028711938 561952541 /nfs/dbraw/zinc/95/25/41/561952541.db2.gz GOMKIQDFMMZDAI-UHFFFAOYSA-N 1 1 562.718 7.440 1 0 KKAFMO Cc1c(/C=C/C[N@@H+](C)Cc2ccccc2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000028765989 561959741 /nfs/dbraw/zinc/95/97/41/561959741.db2.gz KVIAFXPENGVEIA-MDWZMJQESA-N 1 1 532.475 6.919 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)C[C@H]4CCCO4)ccn32)n1)c1ccccc1 ZINC000028822153 561966741 /nfs/dbraw/zinc/96/67/41/561966741.db2.gz GTWJLVCVJTUVNI-WXVAWEFUSA-N 1 1 536.655 6.381 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)C[NH2+]CCc2cc4[nH]nnc4cc2F)CN(C(=O)Cc2c(F)cccc2C(F)(F)F)CC3)c1 ZINC000028823042 561967711 /nfs/dbraw/zinc/96/77/11/561967711.db2.gz PJKGFUZNPWBLJQ-OAQYLSRUSA-N 1 1 650.696 6.930 1 0 KKAFMO CC(C)C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1N1CCN(C(=O)[C@H](N)Cc2ccc(Cl)cc2Cl)CC1 ZINC000028825735 561970877 /nfs/dbraw/zinc/97/08/77/561970877.db2.gz SZFCZNQFLVLSTR-FCHUYYIVSA-N 1 1 531.450 5.277 1 0 KKAFMO CC[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879710 561976576 /nfs/dbraw/zinc/97/65/76/561976576.db2.gz BPHSGFNDDBHOCL-JWQCQUIFSA-N 1 1 568.086 5.209 1 0 KKAFMO Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)c1[C@H](C)NC(=O)Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000028892336 561978282 /nfs/dbraw/zinc/97/82/82/561978282.db2.gz KDVOMBYVUBSMGG-YTMVLYRLSA-N 1 1 640.828 7.992 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2cccc(F)c2)n1C ZINC000028897721 561979350 /nfs/dbraw/zinc/97/93/50/561979350.db2.gz ZNFLKLSUIFKNRG-UHFFFAOYSA-N 1 1 597.081 5.905 1 0 KKAFMO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)c3ccccc23)cc1 ZINC000028899781 561979638 /nfs/dbraw/zinc/97/96/38/561979638.db2.gz BMXNQGASYHVGST-UHFFFAOYSA-N 1 1 573.741 7.775 1 0 KKAFMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000028953859 561982591 /nfs/dbraw/zinc/98/25/91/561982591.db2.gz VXQJDXAWIYEKSX-HSZRJFAPSA-N 1 1 637.673 6.076 1 0 KKAFMO CC(=O)N(Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954036 561982967 /nfs/dbraw/zinc/98/29/67/561982967.db2.gz JZSMIXXQZDFUGS-JSOSNVBQSA-N 1 1 580.217 5.055 1 0 KKAFMO CC(=O)N(Cc1ccncc1)CC1(N2CCN(C(=O)[C@H]3C[N@H+](C(C)C)C[C@@H]3c3ccc(Cl)cc3)CC2)CCCCC1 ZINC000028954036 561982968 /nfs/dbraw/zinc/98/29/68/561982968.db2.gz JZSMIXXQZDFUGS-JSOSNVBQSA-N 1 1 580.217 5.055 1 0 KKAFMO CC(C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNc3ccccc3N)CC2)C1 ZINC000028959803 561983896 /nfs/dbraw/zinc/98/38/96/561983896.db2.gz FBIQPSLTXDNNNP-RRPNLBNLSA-N 1 1 532.132 5.307 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CCN(Cc3ccco3)C[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975312 561986504 /nfs/dbraw/zinc/98/65/04/561986504.db2.gz FRPOMOOESVDDAO-CLCZQPDDSA-N 1 1 567.731 5.353 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975361 561986594 /nfs/dbraw/zinc/98/65/94/561986594.db2.gz DVQYUNXWAFACOO-SCTDOJESSA-N 1 1 583.774 5.277 1 0 KKAFMO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(OC)cc2)c2ccc3cc(C(=O)Nc4ccccc4N)sc3c2)cc1 ZINC000028976231 561986741 /nfs/dbraw/zinc/98/67/41/561986741.db2.gz VXKLXNZZLNTCRG-PMERELPUSA-N 1 1 566.683 6.223 1 0 KKAFMO CN(CCCC(O)(c1ccccc1)c1ccccc1)CC[N@@H+](C)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042882 561991765 /nfs/dbraw/zinc/99/17/65/561991765.db2.gz DXVBJRMJOOZUSG-UHFFFAOYSA-N 1 1 536.760 6.283 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(Br)cc2F)CC1 ZINC000029043278 561991971 /nfs/dbraw/zinc/99/19/71/561991971.db2.gz MIAUOPQGTJQSKK-GKRYNVPLSA-N 1 1 621.035 7.049 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000029043535 561992025 /nfs/dbraw/zinc/99/20/25/561992025.db2.gz AZYLFDYQQJPDQC-GKRYNVPLSA-N 1 1 593.039 7.454 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Br)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048586 561993549 /nfs/dbraw/zinc/99/35/49/561993549.db2.gz TWFJOCRAAWIFAA-DGPALRBDSA-N 1 1 603.948 7.123 1 0 KKAFMO COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(OC)c(OC)c(OC)c2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029048595 561993580 /nfs/dbraw/zinc/99/35/80/561993580.db2.gz YJNVCOLWOAEBNR-NSJVFKKDSA-N 1 1 615.130 6.387 1 0 KKAFMO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048819 561993690 /nfs/dbraw/zinc/99/36/90/561993690.db2.gz CCWLNNLUNXJIPP-HHHXNRCGSA-N 1 1 539.643 5.244 1 0 KKAFMO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048819 561993693 /nfs/dbraw/zinc/99/36/93/561993693.db2.gz CCWLNNLUNXJIPP-HHHXNRCGSA-N 1 1 539.643 5.244 1 0 KKAFMO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048822 561993751 /nfs/dbraw/zinc/99/37/51/561993751.db2.gz CCWLNNLUNXJIPP-MHZLTWQESA-N 1 1 539.643 5.244 1 0 KKAFMO O=c1[nH]ccc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cc21 ZINC000029048822 561993752 /nfs/dbraw/zinc/99/37/52/561993752.db2.gz CCWLNNLUNXJIPP-MHZLTWQESA-N 1 1 539.643 5.244 1 0 KKAFMO c1ccc(-c2cc3ncccc3nc2-c2ccc(C[NH+]3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029048909 561993873 /nfs/dbraw/zinc/99/38/73/561993873.db2.gz JUMLWRBRLDKLFH-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO c1ccc(-c2cc3ncccc3nc2-c2ccc(C[NH+]3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1 ZINC000029048909 561993875 /nfs/dbraw/zinc/99/38/75/561993875.db2.gz JUMLWRBRLDKLFH-UHFFFAOYSA-N 1 1 523.644 6.524 1 0 KKAFMO Cc1nc2cc3c(c(C)c2o1)CC[N@@H+](CCCSc1nnc(-c2cccc4nc(C)ccc42)n1C)CC3 ZINC000029127469 561999962 /nfs/dbraw/zinc/99/99/62/561999962.db2.gz ACRMNEFOWLXFLY-UHFFFAOYSA-N 1 1 512.683 5.680 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128082 562000442 /nfs/dbraw/zinc/00/04/42/562000442.db2.gz MGGAVHMSVGABJH-NDVSTMMLSA-N 1 1 515.591 6.953 1 0 KKAFMO COc1c(C)c(C[N@@H+](CCNc2ccnc3cc(Cl)ccc32)CC(C)(C)C)c(OC)c2ccccc21 ZINC000029134945 562004423 /nfs/dbraw/zinc/00/44/23/562004423.db2.gz OGRFAXUFZWCPOI-UHFFFAOYSA-N 1 1 506.090 7.327 1 0 KKAFMO C[N@@H+](Cc1ccnc2ccccc12)[C@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](Cc2ccccc2)C1 ZINC000029346357 562016379 /nfs/dbraw/zinc/01/63/79/562016379.db2.gz WYCFYGAPQXYEFE-RRPNLBNLSA-N 1 1 518.488 6.890 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O)NCc1cccc2ccccc21 ZINC000029394818 562018298 /nfs/dbraw/zinc/01/82/98/562018298.db2.gz XCAFQIIDKLSYCU-QIKUIUABSA-N 1 1 634.629 6.828 1 0 KKAFMO Nc1[nH+]ccc2ccc(Oc3ccc(C(F)(F)F)cc3NC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)cc12 ZINC000029400151 562019617 /nfs/dbraw/zinc/01/96/17/562019617.db2.gz FMMFHGVZUPFPTH-UHFFFAOYSA-N 1 1 578.572 6.195 1 0 KKAFMO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccnc3cc(Cl)ccc32)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029403260 562020178 /nfs/dbraw/zinc/02/01/78/562020178.db2.gz XPWFTGGQSOHDQV-OAQYLSRUSA-N 1 1 623.585 6.158 1 0 KKAFMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470949 562025580 /nfs/dbraw/zinc/02/55/80/562025580.db2.gz QWLVQDXAULJUAE-PQFNOMFPSA-N 1 1 708.003 5.437 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3Cl)[NH2+]Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000029487677 562028723 /nfs/dbraw/zinc/02/87/23/562028723.db2.gz QNNXSANSVSPCPH-MHZLTWQESA-N 1 1 637.029 5.662 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(Br)c5)cc4)c3c2)o1 ZINC000034800105 562040911 /nfs/dbraw/zinc/04/09/11/562040911.db2.gz HMLZGBGVRSDTPO-UHFFFAOYSA-N 1 1 607.530 6.109 1 0 KKAFMO CCCCCc1ccc(C(=O)N(CC[N@@H+](CCO)Cc2ccccc2)Cc2ccc(-c3ccc4c(c3)OCO4)cc2)cc1 ZINC000034802997 562042374 /nfs/dbraw/zinc/04/23/74/562042374.db2.gz XWOBQOBLEKAXFV-UHFFFAOYSA-N 1 1 578.753 6.952 1 0 KKAFMO O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]([NH2+]CCN1CCC(c2ccccc2)CC1)c1ccccc1 ZINC000034804138 562042948 /nfs/dbraw/zinc/04/29/48/562042948.db2.gz GMSUBXAFZHGFIG-MHZLTWQESA-N 1 1 563.586 6.551 1 0 KKAFMO CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(C(F)(F)F)cc2)[nH+]c2ccccn21 ZINC000034889168 562043905 /nfs/dbraw/zinc/04/39/05/562043905.db2.gz UNXKYRYPNWFPHR-UHFFFAOYSA-N 1 1 509.572 7.866 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1 ZINC000036089401 562046911 /nfs/dbraw/zinc/04/69/11/562046911.db2.gz YZPSCIVWSOSUOO-UHFFFAOYSA-N 1 1 566.386 6.274 1 0 KKAFMO Cc1cc(-c2c(Cl)ccc(O)c2Cl)cc2nnc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000035937006 562045775 /nfs/dbraw/zinc/04/57/75/562045775.db2.gz QDXCEHULBAOSRT-UHFFFAOYSA-N 1 1 510.425 6.231 1 0 KKAFMO c1ccc(COc2cc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3cc2OCc2ccccc2)cc1 ZINC000036241937 562052152 /nfs/dbraw/zinc/05/21/52/562052152.db2.gz CKJNZPVDLBJAOO-UHFFFAOYSA-N 1 1 612.778 7.719 1 0 KKAFMO CN(C[C@H](CC[N@H+]1CCC[C@H](n2c(=O)[nH]c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000036322413 562055233 /nfs/dbraw/zinc/05/52/33/562055233.db2.gz BCMOURGLNMDTBL-DQEYMECFSA-N 1 1 565.545 7.022 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2CC[N@H+]2CC[C@@H](C(=O)N3CCOCC3)[C@H](C)C2)c1 ZINC000036322678 562055265 /nfs/dbraw/zinc/05/52/65/562055265.db2.gz ATYOFXVORANGGC-RFBOAJLRSA-N 1 1 630.899 6.304 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331626 562056805 /nfs/dbraw/zinc/05/68/05/562056805.db2.gz UPUORJMSYYQDHP-UHFFFAOYSA-N 1 1 607.776 7.182 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331626 562056807 /nfs/dbraw/zinc/05/68/07/562056807.db2.gz UPUORJMSYYQDHP-UHFFFAOYSA-N 1 1 607.776 7.182 1 0 KKAFMO CC(C)C(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351559 562058704 /nfs/dbraw/zinc/05/87/04/562058704.db2.gz JXZADBNWQLAOLD-IWGZPIKUSA-N 1 1 570.153 5.665 1 0 KKAFMO CC(C)C(=O)Nc1ccc2c(c1)C[C@@H](N(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351893 562059303 /nfs/dbraw/zinc/05/93/03/562059303.db2.gz KROXLQNVMVQKIP-VWLOTQADSA-N 1 1 544.115 5.103 1 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccc(F)cc4)CCCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147759 562065578 /nfs/dbraw/zinc/06/55/78/562065578.db2.gz YAOCNPQUAUBKIF-YRBODBNVSA-N 1 1 554.750 6.903 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150635 562066325 /nfs/dbraw/zinc/06/63/25/562066325.db2.gz RGFNFGSQVBRRIT-LOAGWBBBSA-N 1 1 564.767 6.058 1 0 KKAFMO O=C(NCCn1c2ccc(C(F)(F)F)cc2nc1C(F)(F)F)[C@H]1CCCN1c1nc(C[NH+]2CCCCC2)cs1 ZINC000038152750 562067290 /nfs/dbraw/zinc/06/72/90/562067290.db2.gz VJPBYNAKGZXLDO-HXUWFJFHSA-N 1 1 574.595 5.302 3 0 KKAFMO O=C([O-])[C@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cnc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1 ZINC000038154928 562067946 /nfs/dbraw/zinc/06/79/46/562067946.db2.gz UUQGJUFZXHHWRQ-JBOQNHBVSA-N 1 1 543.777 6.272 1 0 KKAFMO C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1[nH]c2c(cc(C(F)(F)F)cc2NCc2ccccc2)[nH+]1 ZINC000038157616 562069267 /nfs/dbraw/zinc/06/92/67/562069267.db2.gz JVPDXKIAAGISME-MRXNPFEDSA-N 1 1 530.982 5.450 1 0 KKAFMO COCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040394136 562074106 /nfs/dbraw/zinc/07/41/06/562074106.db2.gz XBLICIQHPJUYCZ-BVRKHOPBSA-N 1 1 516.085 5.316 1 0 KKAFMO COCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1c2ccccc2C=C[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040394131 562074132 /nfs/dbraw/zinc/07/41/32/562074132.db2.gz XBLICIQHPJUYCZ-IGYGKHONSA-N 1 1 516.085 5.316 1 0 KKAFMO CCC[N@H+]1CCC=C(c2ccc(Nc3nc4[nH]ccc4c(Nc4cc(F)ccc4C(N)=O)n3)c(OC)c2)C1 ZINC000040406601 562075061 /nfs/dbraw/zinc/07/50/61/562075061.db2.gz QTBXDXGNGINERX-UHFFFAOYSA-N 1 1 515.593 5.191 1 0 KKAFMO CC[N@@H+](C)Cc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040421987 562075902 /nfs/dbraw/zinc/07/59/02/562075902.db2.gz MCDVLCPOOSENDN-UHFFFAOYSA-N 1 1 518.876 7.299 1 0 KKAFMO COC(=O)[C@](CCC[N@@H+](C)CCCc1nc2cc(OC)ccc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082672 /nfs/dbraw/zinc/08/26/72/562082672.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 1 1 530.507 5.746 1 0 KKAFMO COC(=O)[C@](CCC[N@H+](C)CCCc1nc2ccc(OC)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082674 /nfs/dbraw/zinc/08/26/74/562082674.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 1 1 530.507 5.746 1 0 KKAFMO COC(=O)[C@](CCC[N@@H+](C)CCCc1nc2ccc(OC)cc2[nH]1)(c1ccc(Br)cc1)C(C)C ZINC000040880604 562082675 /nfs/dbraw/zinc/08/26/75/562082675.db2.gz FHNVQVDXVFHHAO-MHZLTWQESA-N 1 1 530.507 5.746 1 0 KKAFMO COC(=O)[C@@](CCCN1CC[NH+](Cc2cccc(C)c2)CC1)(c1ccc(Br)cc1)C(C)C ZINC000040895178 562083012 /nfs/dbraw/zinc/08/30/12/562083012.db2.gz GJNISUGDHSTIAF-HHHXNRCGSA-N 1 1 501.509 5.422 1 0 KKAFMO Cn1ccnc1S(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 ZINC000042201863 562087547 /nfs/dbraw/zinc/08/75/47/562087547.db2.gz QDJORKXCLNITAK-UHFFFAOYSA-N 1 1 647.132 6.302 1 0 KKAFMO COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)cc(Cc2cc[nH+]c(N)c2)c1O ZINC000085629454 560068384 /nfs/dbraw/zinc/06/83/84/560068384.db2.gz FHLVRRGDPUTRTI-KAYWLYCHSA-N 1 1 526.674 5.515 1 0 biogenic,in-vitro KKAFMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@H]3C[C@H]4[C@]5(CCC[C@@]46CC[C@H](O)C[C@@H]6[C@@H](O)C5)[C@@H]3C[C@H]3C[C@@H]4C=CO[C@@]2(C4)[C@@H]31 ZINC000085542913 560071241 /nfs/dbraw/zinc/07/12/41/560071241.db2.gz DGIJUXYBMSQMNC-VGTMPQFUSA-N 1 1 507.759 5.380 1 0 biogenic,in-vitro KKAFMO COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)C[C@@H]5CCCC56CCCC6)[N@@H+]4C3)[C@H]2[C@@H]1C ZINC000085532519 560072728 /nfs/dbraw/zinc/07/27/28/560072728.db2.gz HBXXXQLHHWPKPH-VIMACEGASA-N 1 1 521.698 5.746 1 0 biogenic,in-vitro KKAFMO CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCC[N@H+]21)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532359 560072965 /nfs/dbraw/zinc/07/29/65/560072965.db2.gz YVAIVCDCXWLHGJ-ONSYUJLBSA-N 1 1 575.746 5.412 1 0 biogenic,in-vitro KKAFMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2 ZINC000042807525 560085769 /nfs/dbraw/zinc/08/57/69/560085769.db2.gz FKHCVUFZOFEROS-MUUNZHRXSA-N 1 1 592.692 6.676 1 0 biogenic,in-vitro KKAFMO O=C(CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1cnc[nH]1)c1ccccc1 ZINC000043079432 562645771 /nfs/dbraw/zinc/64/57/71/562645771.db2.gz ZMTJXLBSJWMAHF-MUUNZHRXSA-N 1 1 521.587 5.727 1 0 KKAFMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079728 562645876 /nfs/dbraw/zinc/64/58/76/562645876.db2.gz KYIFZXJUWBRQGE-SFTDATJTSA-N 1 1 550.497 5.375 1 0 KKAFMO Nc1[nH+]c(Cn2c(-c3ccc(Oc4cncnc4)cc3)ccc2-c2ccccc2Cl)ccc1NCCO ZINC000043131579 562646351 /nfs/dbraw/zinc/64/63/51/562646351.db2.gz OBJNEXKJNRYAJJ-UHFFFAOYSA-N 1 1 513.001 5.488 1 0 KKAFMO CC[NH+]1CCN(CCCn2cc(-c3ccc4c(c3)ncn4-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)cn2)CC1 ZINC000043152535 562646397 /nfs/dbraw/zinc/64/63/97/562646397.db2.gz XWUCTSMJFVUKTR-JOCHJYFZSA-N 1 1 618.207 5.870 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3C4)CC[C@@H]12 ZINC000043511423 562648756 /nfs/dbraw/zinc/64/87/56/562648756.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 1 1 510.744 6.321 1 0 KKAFMO C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(C[S@](=O)[C@@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3C4)CC[C@@H]12 ZINC000043511423 562648757 /nfs/dbraw/zinc/64/87/57/562648757.db2.gz RCEGLXVYHHYXSF-NVGKETAJSA-N 1 1 510.744 6.321 1 0 KKAFMO O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000043543973 562649560 /nfs/dbraw/zinc/64/95/60/562649560.db2.gz SPCIKIJWKVZFTG-UHFFFAOYSA-N 1 1 530.443 6.559 1 0 KKAFMO COc1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1cnc2ccccc2c1 ZINC000044281444 562653091 /nfs/dbraw/zinc/65/30/91/562653091.db2.gz YMPHEXNZJFTXKP-UHFFFAOYSA-N 1 1 616.718 6.366 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(-c2cnc(Cc3ccc(F)cc3)n(C)c2=O)cc1F ZINC000044305243 562653405 /nfs/dbraw/zinc/65/34/05/562653405.db2.gz MYPQPZOTEGVVQY-UHFFFAOYSA-N 1 1 628.676 5.767 1 0 KKAFMO c1cn(-c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)cn1 ZINC000044352024 562654959 /nfs/dbraw/zinc/65/49/59/562654959.db2.gz YSEFCBBQCYGIKD-UHFFFAOYSA-N 1 1 590.695 6.104 1 0 KKAFMO c1cn(-c2ncc3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)cn1 ZINC000044352024 562654960 /nfs/dbraw/zinc/65/49/60/562654960.db2.gz YSEFCBBQCYGIKD-UHFFFAOYSA-N 1 1 590.695 6.104 1 0 KKAFMO Cc1cc(NC(=O)CN2CC[NH+](C)CC2)c2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 ZINC000044388327 562656298 /nfs/dbraw/zinc/65/62/98/562656298.db2.gz NUSIAOWOKPDVNK-UHFFFAOYSA-N 1 1 534.970 5.045 1 0 KKAFMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc(-c4ccccc4C(F)(F)F)cs3)C2)cc1 ZINC000045186611 562658247 /nfs/dbraw/zinc/65/82/47/562658247.db2.gz LDCIPMKXLAJYAT-HXUWFJFHSA-N 1 1 500.630 6.983 1 0 KKAFMO CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000045189901 562658475 /nfs/dbraw/zinc/65/84/75/562658475.db2.gz BGFYKKYIRZOLOA-IXUMQIDOSA-N 1 1 515.485 5.593 1 0 KKAFMO O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CC[N@@H+](C1CCC1)CC2 ZINC000045194260 562658810 /nfs/dbraw/zinc/65/88/10/562658810.db2.gz QUZADQLTRKINEQ-UHFFFAOYSA-N 1 1 529.556 5.279 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCOc1ccc2c(c1)N(C(=O)Nc1cc(Br)cc(C(F)(F)F)c1)CC2 ZINC000045194415 562658837 /nfs/dbraw/zinc/65/88/37/562658837.db2.gz JEKVQPPGDATBBV-LJQANCHMSA-N 1 1 512.370 5.926 1 0 KKAFMO CC(C)COc1ccc(Cl)cc1Cc1nc(-c2nc3cccc(C[NH+]4CCN(C)CC4)c3[nH]2)cs1 ZINC000045194977 562658841 /nfs/dbraw/zinc/65/88/41/562658841.db2.gz NYVYKJDPUZHNKL-UHFFFAOYSA-N 1 1 510.107 5.713 1 0 KKAFMO Cc1ccc(C[N@H+]2CCCN(Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1C ZINC000045201152 562658977 /nfs/dbraw/zinc/65/89/77/562658977.db2.gz ZVUORYVCOSJSRA-UHFFFAOYSA-N 1 1 503.690 6.931 1 0 KKAFMO Cc1ccc(CN2CCC[N@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1C ZINC000045201152 562658978 /nfs/dbraw/zinc/65/89/78/562658978.db2.gz ZVUORYVCOSJSRA-UHFFFAOYSA-N 1 1 503.690 6.931 1 0 KKAFMO Cc1ccc(CN2CCC[N@@H+](Cc3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)CC2)cc1C ZINC000045201152 562658979 /nfs/dbraw/zinc/65/89/79/562658979.db2.gz ZVUORYVCOSJSRA-UHFFFAOYSA-N 1 1 503.690 6.931 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)NCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000045202480 562659180 /nfs/dbraw/zinc/65/91/80/562659180.db2.gz WFNFMOWNXHUUAF-ZTVSIKPCSA-N 1 1 506.449 5.783 1 0 KKAFMO Cc1c2nc(-c3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH]c2cc(Br)c1C ZINC000045226869 562659349 /nfs/dbraw/zinc/65/93/49/562659349.db2.gz SDIVBEVDGVYVJS-UHFFFAOYSA-N 1 1 517.471 6.004 1 0 KKAFMO Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc(Cl)c(N5CC[NH+](C)CC5)c4)cc3)c(C)c2)no1 ZINC000045230368 562659645 /nfs/dbraw/zinc/65/96/45/562659645.db2.gz ROYYCQLIQSMUOS-UHFFFAOYSA-N 1 1 502.018 5.678 1 0 KKAFMO Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1 ZINC000045302054 562660571 /nfs/dbraw/zinc/66/05/71/562660571.db2.gz ZYLSWHVDPIIHRZ-GASCZTMLSA-N 1 1 501.077 5.399 1 0 KKAFMO O=C(Nc1cccc(C[N@H+]2CCCN(Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045303012 562660729 /nfs/dbraw/zinc/66/07/29/562660729.db2.gz OIFBUELYPUPUPV-UHFFFAOYSA-N 1 1 512.437 5.682 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@H+](Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045303012 562660730 /nfs/dbraw/zinc/66/07/30/562660730.db2.gz OIFBUELYPUPUPV-UHFFFAOYSA-N 1 1 512.437 5.682 1 0 KKAFMO O=C(Nc1cccc(CN2CCC[N@@H+](Cc3ccc4c(c3)OCO4)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045303012 562660731 /nfs/dbraw/zinc/66/07/31/562660731.db2.gz OIFBUELYPUPUPV-UHFFFAOYSA-N 1 1 512.437 5.682 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C[N@H+]2CC[C@@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045323097 562661085 /nfs/dbraw/zinc/66/10/85/562661085.db2.gz FTLGKSKBYORBFI-XNBDYFIGSA-N 1 1 512.481 5.577 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H](C)c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000045340273 562661589 /nfs/dbraw/zinc/66/15/89/562661589.db2.gz INOOWBQEHMZJJL-XDHUDOTRSA-N 1 1 518.054 5.117 1 0 KKAFMO Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccc(F)cc3)[nH+]c3ccccn32)CC1 ZINC000045368294 562662169 /nfs/dbraw/zinc/66/21/69/562662169.db2.gz MNRDIGRKGNYDKE-UHFFFAOYSA-N 1 1 509.585 6.068 1 0 KKAFMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662227 /nfs/dbraw/zinc/66/22/27/562662227.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N 1 1 516.856 6.931 1 0 KKAFMO O=C(c1ccccc1)N1CCC([NH+]2CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)CC1 ZINC000049020938 562663305 /nfs/dbraw/zinc/66/33/05/562663305.db2.gz PDSHNPZUYITTLP-UHFFFAOYSA-N 1 1 530.672 5.478 1 0 KKAFMO CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC[N@H+](Cc2ccc(NC(C)=O)s2)CC3)cc1 ZINC000049019484 562663337 /nfs/dbraw/zinc/66/33/37/562663337.db2.gz UOAUSRFWBALLMN-UHFFFAOYSA-N 1 1 511.713 5.451 1 0 KKAFMO COc1cc(-c2c(-c3ccncc3)nn3c2nccc3-c2ccc(N3C[C@@H]4C[C@H]3C[N@H+]4C)cc2)ccc1F ZINC000049032882 562663421 /nfs/dbraw/zinc/66/34/21/562663421.db2.gz SRWHVBZLJOECLF-ZEQRLZLVSA-N 1 1 506.585 5.166 1 0 KKAFMO CC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c(O)c4)c(-c4ccncc4)nn32)cc1 ZINC000049033754 562663440 /nfs/dbraw/zinc/66/34/40/562663440.db2.gz FBJYRNGBDFBGRM-ZEQRLZLVSA-N 1 1 506.585 5.253 1 0 KKAFMO CN1c2ccc(OC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2[C@]2(C)CC[N@H+](CCc3ccccc3)[C@H]12 ZINC000049036989 562663603 /nfs/dbraw/zinc/66/36/03/562663603.db2.gz LUDGLDHLVCUWSA-WEZIJMHWSA-N 1 1 519.645 7.072 1 0 KKAFMO Cn1c2ccccc2nc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 ZINC000049604948 562665111 /nfs/dbraw/zinc/66/51/11/562665111.db2.gz RMVZOBKRJVQYMT-QINJCTLZSA-N 1 1 551.562 6.979 1 0 KKAFMO COc1ccc2nc(-c3ccccc3)cc(NCCCNc3cc(-c4ccccc4)[nH+]c4ccc(OC)cc34)c2c1 ZINC000049605045 562665310 /nfs/dbraw/zinc/66/53/10/562665310.db2.gz VOMZOCWPZFDECG-UHFFFAOYSA-N 1 1 540.667 8.048 1 0 KKAFMO O=C(Cc1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1)NCc1ccco1 ZINC000049605101 562665362 /nfs/dbraw/zinc/66/53/62/562665362.db2.gz RBFMRFYPOLGLOE-UHFFFAOYSA-N 1 1 661.164 8.914 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000049605191 562665473 /nfs/dbraw/zinc/66/54/73/562665473.db2.gz QPNNRAMXKSXJRH-WUXMJOGZSA-N 1 1 569.480 6.134 1 0 KKAFMO Cc1ccc2n[nH]cc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)C[N@@H+]3CC=CCC3)cc2)n1 ZINC000049605554 562666026 /nfs/dbraw/zinc/66/60/26/562666026.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 1 1 567.738 6.125 1 0 KKAFMO Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)C[N@H+]3CC=CCC3)cc2)n1 ZINC000049605554 562666027 /nfs/dbraw/zinc/66/60/27/562666027.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 1 1 567.738 6.125 1 0 KKAFMO Cc1ccc2[nH]ncc2c1N(CC1CCCCC1)c1ccnc(Nc2ccc(OC[C@H](O)C[N@@H+]3CC=CCC3)cc2)n1 ZINC000049605554 562666028 /nfs/dbraw/zinc/66/60/28/562666028.db2.gz HLAAZUZARIFGMJ-HHHXNRCGSA-N 1 1 567.738 6.125 1 0 KKAFMO O=C(Nc1ccc(Cl)cc1)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049605761 562666278 /nfs/dbraw/zinc/66/62/78/562666278.db2.gz RKSVHTHZRQMNTD-YGQVVATNSA-N 1 1 631.114 7.816 1 0 KKAFMO COc1cccc(C2CCN(CC[NH+]3CCC(CNC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c1 ZINC000049625534 562666768 /nfs/dbraw/zinc/66/67/68/562666768.db2.gz ZAKCDEDWQXGJQQ-UHFFFAOYSA-N 1 1 579.707 6.702 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNC(=O)c2cccs2)C1 ZINC000049626309 562667134 /nfs/dbraw/zinc/66/71/34/562667134.db2.gz RYECAVBLJLROOW-SDNYCIMKSA-N 1 1 536.569 6.277 1 0 KKAFMO CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(=O)[C@@H]([NH3+])Cc5c[nH]c6ccccc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049695442 562670569 /nfs/dbraw/zinc/67/05/69/562670569.db2.gz CPWSPZLCDWWQJP-FXRDYZNJSA-N 1 1 502.699 6.118 1 0 KKAFMO CN1CCN(CCCN(Cc2csc(-c3ccc(C[NH2+]Cc4ccccc4)cc3)n2)S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000049710013 562671525 /nfs/dbraw/zinc/67/15/25/562671525.db2.gz AZIFMCHBJODCKH-UHFFFAOYSA-N 1 1 640.879 5.477 1 0 KKAFMO Brc1cc(Br)c2c(c1)[C@H]([NH2+]CCCN[C@H]1CCNc3c(Br)cc(Br)cc31)CCN2 ZINC000049710597 562671724 /nfs/dbraw/zinc/67/17/24/562671724.db2.gz ZDEPMBSNSMMZEB-KDURUIRLSA-N 1 1 652.067 6.720 1 0 KKAFMO O=C(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1ccccc1C(=O)NCCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000049711138 562671969 /nfs/dbraw/zinc/67/19/69/562671969.db2.gz PVNHVSSLUHUEBD-UHFFFAOYSA-N 1 1 710.974 5.570 1 0 KKAFMO COCCNc1nc(N2CCC(CNC(=O)c3ccc(-c4ccc(C(=O)N(C)C)cc4C)cc3)CC2)[nH+]c2cc(OC)c(OC)cc21 ZINC000049722522 562672151 /nfs/dbraw/zinc/67/21/51/562672151.db2.gz PKQVPRKKGISJNG-UHFFFAOYSA-N 1 1 640.785 5.029 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000049722909 562672680 /nfs/dbraw/zinc/67/26/80/562672680.db2.gz UTLKYCGMSXQOTG-VQHVLOKHSA-N 1 1 553.481 6.201 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@H+]1CCC[C@H](CCCNS(=O)(=O)c2ccc(Br)cc2)C1 ZINC000049745087 562673673 /nfs/dbraw/zinc/67/36/73/562673673.db2.gz JTWIYPFIIKKSIS-ARKLPKAPSA-N 1 1 645.491 6.526 1 0 KKAFMO Cc1cc2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049745789 562674066 /nfs/dbraw/zinc/67/40/66/562674066.db2.gz YVNVJCKNDRTUNW-UHFFFAOYSA-N 1 1 566.790 7.159 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCNC(=O)c1ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc1)CC2 ZINC000049745711 562674079 /nfs/dbraw/zinc/67/40/79/562674079.db2.gz INDQZIKNVBDUJX-UHFFFAOYSA-N 1 1 556.490 5.831 1 0 KKAFMO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756120 562674863 /nfs/dbraw/zinc/67/48/63/562674863.db2.gz OHKVKGLOZBILIN-SLFFLAALSA-N 1 1 589.461 6.437 1 0 KKAFMO O=C(Nc1ccc(F)c(C(F)(F)F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049756122 562674883 /nfs/dbraw/zinc/67/48/83/562674883.db2.gz OHKVKGLOZBILIN-XUVXKRRUSA-N 1 1 589.461 6.437 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1OC(F)(F)F ZINC000049756313 562674956 /nfs/dbraw/zinc/67/49/56/562674956.db2.gz ZQXWSHOYNMQRDD-UHFFFAOYSA-N 1 1 624.689 6.574 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1F ZINC000049757152 562675635 /nfs/dbraw/zinc/67/56/35/562675635.db2.gz ZEXJBANGHOAHDZ-UHFFFAOYSA-N 1 1 558.683 5.814 1 0 KKAFMO CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CC2)nn1 ZINC000049757389 562675952 /nfs/dbraw/zinc/67/59/52/562675952.db2.gz AEXBDBARJCAQDQ-NGQVCNFZSA-N 1 1 569.603 6.177 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000049762273 562676482 /nfs/dbraw/zinc/67/64/82/562676482.db2.gz OZWMSXPIQVMFDE-UHFFFAOYSA-N 1 1 540.693 5.675 1 0 KKAFMO O=C(N[C@H](Cc1ccccc1)C[N@@H+](Cc1ccccc1)C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1nccs1 ZINC000049777892 562680626 /nfs/dbraw/zinc/68/06/26/562680626.db2.gz NFWXZIIEKXXDMY-IOWSJCHKSA-N 1 1 655.846 6.477 1 0 KKAFMO CCC[N@@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000049778044 562680828 /nfs/dbraw/zinc/68/08/28/562680828.db2.gz QOLPKTSVKSOCOP-SJBRTRFPSA-N 1 1 509.819 7.114 1 0 KKAFMO CC(C)c1ccc(NC(=O)NCCC[C@@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049778075 562680845 /nfs/dbraw/zinc/68/08/45/562680845.db2.gz YIYGCJCPGKWKQB-JGCGNYSVSA-N 1 1 587.636 7.730 1 0 KKAFMO CC(C)(CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1 ZINC000049778059 562680851 /nfs/dbraw/zinc/68/08/51/562680851.db2.gz MMWJADBYULECMM-UHFFFAOYSA-N 1 1 578.544 6.457 1 0 KKAFMO COc1cc(/C=C/C(=O)OCCC[N@@H+](C)CCCOC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC ZINC000049778089 562680902 /nfs/dbraw/zinc/68/09/02/562680902.db2.gz FTELGEBVTVVDAH-SFQUDFHCSA-N 1 1 547.648 5.505 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCC[C@@](CNC(=O)C2CC(C)(C)N(O)C(C)(C)C2)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000049780767 562682230 /nfs/dbraw/zinc/68/22/30/562682230.db2.gz DNIQTSLHXSQKBK-QNGWXLTQSA-N 1 1 641.894 6.344 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](CC(c4ccccc4)c4ccccc4)[C@@H]2N3C)cc1 ZINC000049781274 562682874 /nfs/dbraw/zinc/68/28/74/562682874.db2.gz KNGAQMBDICLRPO-GIWKVKTRSA-N 1 1 545.727 7.992 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(C(=O)NCCC[NH+]4CCN(C)CC4)cc32)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000049784689 562683727 /nfs/dbraw/zinc/68/37/27/562683727.db2.gz OPSVHJZYWJYWSU-UHFFFAOYSA-N 1 1 605.747 5.125 1 0 KKAFMO CC[N@@H+](C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@H](Cc1ccccc1)NC(=O)OCc1nccs1 ZINC000049793236 562684638 /nfs/dbraw/zinc/68/46/38/562684638.db2.gz ICNXLCSJEDSWTK-UIOOFZCWSA-N 1 1 593.775 5.297 1 0 KKAFMO O=C(N[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1)OCc1cncs1 ZINC000049793696 562685096 /nfs/dbraw/zinc/68/50/96/562685096.db2.gz NFWXZIIEKXXDMY-FIRIVFDPSA-N 1 1 655.846 6.477 1 0 KKAFMO CCOc1ccc(-n2c(=O)c3cccnc3nc2[C@@H](C)N(C[C@@H]2CCC[N@H+]2C(C)C)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000049793911 562685302 /nfs/dbraw/zinc/68/53/02/562685302.db2.gz NWQJFPWWHYXJHA-RDGATRHJSA-N 1 1 639.694 6.342 1 0 KKAFMO CC(=O)Nc1nc([C@H](CC[N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000049817352 562686830 /nfs/dbraw/zinc/68/68/30/562686830.db2.gz KOQXGZHDIQDDAK-MLIAIACYSA-N 1 1 650.689 7.236 1 0 KKAFMO COc1ccc2cc1-c1cc(ccc1OC)C(=O)[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CCN1C ZINC000049832955 562687334 /nfs/dbraw/zinc/68/73/34/562687334.db2.gz TUBUFGSPDJQCJZ-ZADIWHOSSA-N 1 1 650.772 6.686 1 0 KKAFMO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](OCCNc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049833539 562687873 /nfs/dbraw/zinc/68/78/73/562687873.db2.gz QZZJNRWXLCKHIO-PANYSFOQSA-N 1 1 711.340 8.017 1 0 KKAFMO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCNc4cc[nH+]c5cc(Cl)ccc45)[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000049841322 562688231 /nfs/dbraw/zinc/68/82/31/562688231.db2.gz IZAZFFSPMYTJEF-NSQZCBSKSA-N 1 1 681.314 8.390 1 0 KKAFMO O=C(CN1CCCC1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(C(=O)Nc4ccc(NC(=O)C[NH+]5CCCC5)cc4)cc3)cc2)cc1 ZINC000049872456 562690044 /nfs/dbraw/zinc/69/00/44/562690044.db2.gz BYTIJUMPLZWECI-UHFFFAOYSA-N 1 1 702.816 5.904 1 0 KKAFMO COc1cc2nc(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)nc(NCCCc3ccc(Cl)cc3)c2cc1OC ZINC000049888968 562691665 /nfs/dbraw/zinc/69/16/65/562691665.db2.gz LOOANSAOYXBBSO-QFIPXVFZSA-N 1 1 554.135 5.018 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3cc(C(F)(F)c4ccccc4)n[nH]3)CC2)[C@@H](c2ccccc2)C1 ZINC000049889575 562692226 /nfs/dbraw/zinc/69/22/26/562692226.db2.gz MPGXVOKLEKYKQS-RTKAOUNRSA-N 1 1 576.732 6.478 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CCN4C)c(OC)cc3CC[N@H+]2C)cc1O ZINC000049898607 562692705 /nfs/dbraw/zinc/69/27/05/562692705.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 1 1 670.803 6.477 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(O)c(OC)cc5CCN4C)c(OC)cc3CC[N@@H+]2C)cc1O ZINC000049898607 562692706 /nfs/dbraw/zinc/69/27/06/562692706.db2.gz LZUAWASJLVYVGM-KYJUHHDHSA-N 1 1 670.803 6.477 1 0 KKAFMO O=C(NCCCC[N@@H+]1CC=C(c2ccc3c(c2OCc2ccccc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917539 562693558 /nfs/dbraw/zinc/69/35/58/562693558.db2.gz JWFCASCGOAKGMM-UHFFFAOYSA-N 1 1 638.774 9.130 1 0 KKAFMO O=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049917590 562693604 /nfs/dbraw/zinc/69/36/04/562693604.db2.gz GGIHBVOKRSMNKK-CCDWMCETSA-N 1 1 543.539 5.768 1 0 KKAFMO COc1ccc2c(c1)C[C@H]1C[N@H+](CCCCNC(=O)c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CCN1C2 ZINC000049917675 562693729 /nfs/dbraw/zinc/69/37/29/562693729.db2.gz HMNBYPOENJHEBF-NDEPHWFRSA-N 1 1 581.544 5.507 1 0 KKAFMO COc1c(C2CCN(CC[NH+]3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)ccc2c1CCCC2 ZINC000049917766 562693886 /nfs/dbraw/zinc/69/38/86/562693886.db2.gz HFVNLHZHHKZGCM-UHFFFAOYSA-N 1 1 619.772 7.334 1 0 KKAFMO COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCC[C@@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917842 562693983 /nfs/dbraw/zinc/69/39/83/562693983.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 1 1 572.540 8.171 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCC[C@@H]4CCC[N@@H+]4C)c3)ccc2c1 ZINC000049917842 562693984 /nfs/dbraw/zinc/69/39/84/562693984.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 1 1 572.540 8.171 1 0 KKAFMO COc1ccc2cc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccnc(NCC[C@@H]4CCC[N@H+]4C)c3)ccc2c1 ZINC000049917842 562693985 /nfs/dbraw/zinc/69/39/85/562693985.db2.gz HFKJHWPAGRWTTR-DEOSSOPVSA-N 1 1 572.540 8.171 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049917983 562694273 /nfs/dbraw/zinc/69/42/73/562694273.db2.gz DQLRKXOTBPSGAI-SOFGYWHQSA-N 1 1 572.364 6.840 1 0 KKAFMO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)cc1 ZINC000049918059 562694387 /nfs/dbraw/zinc/69/43/87/562694387.db2.gz JWZMHVOMNIQUEE-UHFFFAOYSA-N 1 1 535.591 6.609 1 0 KKAFMO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccc(OC[C@@H]3CCC[N@H+]3C)cc21 ZINC000049918080 562694451 /nfs/dbraw/zinc/69/44/51/562694451.db2.gz YPAALVSCLPQHDI-YTTGMZPUSA-N 1 1 703.752 7.882 1 0 KKAFMO COc1ccc(NC(=O)N[C@H]2CC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)c(OC)c1 ZINC000049918179 562694569 /nfs/dbraw/zinc/69/45/69/562694569.db2.gz MLJAUVIDNIEKEN-OEMHODTASA-N 1 1 549.499 5.206 1 0 KKAFMO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(CCCCCC[NH3+])CC4)c3Cl)c2n1 ZINC000049938145 562695120 /nfs/dbraw/zinc/69/51/20/562695120.db2.gz VUMJJMZJSPFDOG-UHFFFAOYSA-N 1 1 650.673 5.149 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000049938350 562695250 /nfs/dbraw/zinc/69/52/50/562695250.db2.gz RYJLIOLMXOYQJJ-UHFFFAOYSA-N 1 1 656.808 8.231 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000049938350 562695251 /nfs/dbraw/zinc/69/52/51/562695251.db2.gz RYJLIOLMXOYQJJ-UHFFFAOYSA-N 1 1 656.808 8.231 1 0 KKAFMO CCn1cc(Cc2ccccc2)c(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000053275910 562697033 /nfs/dbraw/zinc/69/70/33/562697033.db2.gz WXGYWZXOTMEBIY-VUHKNJSWSA-N 1 1 568.806 6.422 1 0 KKAFMO COc1ccc2c3c1O[C@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000058482358 562698015 /nfs/dbraw/zinc/69/80/15/562698015.db2.gz BEOPGQZLRRYYIV-UACNCODXSA-N 1 1 501.711 5.925 1 0 KKAFMO C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058506510 562698369 /nfs/dbraw/zinc/69/83/69/562698369.db2.gz DXBUCGZOLYBZDE-YUDQIZAISA-N 1 1 510.122 5.829 1 0 KKAFMO C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@H+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058506510 562698370 /nfs/dbraw/zinc/69/83/70/562698370.db2.gz DXBUCGZOLYBZDE-YUDQIZAISA-N 1 1 510.122 5.829 1 0 KKAFMO COc1ccc([NH+]=C(C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H](C)CCCC(C)C)c(OC)c1 ZINC000059033371 562701657 /nfs/dbraw/zinc/70/16/57/562701657.db2.gz GXNZMFCHMHMNKL-QHCPKHFHSA-N 1 1 580.766 7.178 1 0 KKAFMO O=C(N[C@@H](c1ccccc1)c1ccc2ccccc2n1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061907142 562703060 /nfs/dbraw/zinc/70/30/60/562703060.db2.gz GJAOXVPKYSOYFT-NDEPHWFRSA-N 1 1 504.461 6.659 3 0 KKAFMO Clc1cc(Cl)cc(Nc2ccccc2C[N@@H+](C/C=C/c2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000061921049 562703131 /nfs/dbraw/zinc/70/31/31/562703131.db2.gz KDVPNFPCRYWYEE-RMKNXTFCSA-N 1 1 517.456 8.181 3 0 KKAFMO O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)[N@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923838 562703568 /nfs/dbraw/zinc/70/35/68/562703568.db2.gz OLUKHOPUUWMDEI-PVHODMMVSA-N 1 1 509.050 5.218 3 0 KKAFMO Fc1cc(N2C[C@@H]3C[C@H]2C[N@H+]3C2CCC2)cc(F)c1-c1ccnc2c(-c3cccc4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064447953 562705435 /nfs/dbraw/zinc/70/54/35/562705435.db2.gz KTBSGJWSNJQXQG-GOTSBHOMSA-N 1 1 574.639 6.095 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064448606 562705570 /nfs/dbraw/zinc/70/55/70/562705570.db2.gz FEQYKRPKYRMPLO-PMACEKPBSA-N 1 1 534.574 5.173 1 0 KKAFMO O=C(/C=C/c1ccccc1)NCCC[C@H]1CCC[N@H+](CCCCCNC(=O)/C=C\c2ccc(Cl)c(Cl)c2)C1 ZINC000064585829 562708813 /nfs/dbraw/zinc/70/88/13/562708813.db2.gz MTIBFGQHSSIDCG-LAROHYMCSA-N 1 1 556.578 6.615 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccccc3)nc(Nc3cccc(Nc4ccnc5cc(Cl)ccc54)c3)n2)CC1 ZINC000066074578 562709827 /nfs/dbraw/zinc/70/98/27/562709827.db2.gz OFSXNEHJQAMRFN-UHFFFAOYSA-N 1 1 552.086 6.446 1 0 KKAFMO Clc1ccc2c(c1)nccc2Nc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc(Nc3ccccc3)n2)cc1 ZINC000066077883 562710342 /nfs/dbraw/zinc/71/03/42/562710342.db2.gz MUXPYTNVGPMSMI-UHFFFAOYSA-N 1 1 582.112 6.438 1 0 KKAFMO Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H]([NH2+]CCN2CCCCC2)C(=O)Nc2ccc(-c3ccc(C4CC4)cc3)cc2)cc1 ZINC000066101600 562711396 /nfs/dbraw/zinc/71/13/96/562711396.db2.gz XWIGQKXPVMJLRO-UBVJSSEKSA-N 1 1 613.806 7.220 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066128618 562712746 /nfs/dbraw/zinc/71/27/46/562712746.db2.gz QILUDTBVFILERX-BATDWUPUSA-N 1 1 624.562 5.285 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066128618 562712747 /nfs/dbraw/zinc/71/27/47/562712747.db2.gz QILUDTBVFILERX-BATDWUPUSA-N 1 1 624.562 5.285 3 0 KKAFMO CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066129600 562713019 /nfs/dbraw/zinc/71/30/19/562713019.db2.gz SLYDUSXXBLEENW-UHFFFAOYSA-N 1 1 535.754 5.493 1 0 KKAFMO CCNC(=O)Nc1sc2cc(Cl)ccc2c1C(=O)N1CC[NH+](C2CCN(C(=O)C(C)(C)C(F)(F)F)CC2)CC1 ZINC000066136381 562713094 /nfs/dbraw/zinc/71/30/94/562713094.db2.gz VTUPEPHRWLOURG-UHFFFAOYSA-N 1 1 588.096 5.033 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000066136357 562713096 /nfs/dbraw/zinc/71/30/96/562713096.db2.gz INQGAJOZVOGFTI-UMQWNRPGSA-N 1 1 575.672 5.576 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136434 562713136 /nfs/dbraw/zinc/71/31/36/562713136.db2.gz FJOUSLJCSOLAGW-YRCZKMHPSA-N 1 1 642.036 6.660 3 0 KKAFMO CC(C)[N@@H+](CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)Cc1ccccc1 ZINC000066136497 562713178 /nfs/dbraw/zinc/71/31/78/562713178.db2.gz AUDOQLDDBJTXAU-UHFFFAOYSA-N 1 1 547.765 5.853 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000066148073 562713571 /nfs/dbraw/zinc/71/35/71/562713571.db2.gz SCAUOYDVVUBTHZ-RNDKRWLGSA-N 1 1 626.729 6.614 3 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000066252382 562714726 /nfs/dbraw/zinc/71/47/26/562714726.db2.gz REHLUJGIPSUOJK-ZLUJCPFNSA-N 1 1 613.496 5.225 1 0 KKAFMO CC[C@H](C)CNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(Cc1cccc2ccccc21)Cc1cccc2ccccc21)[NH2+]C(C)C ZINC000067983880 562715661 /nfs/dbraw/zinc/71/56/61/562715661.db2.gz ONXJAZRYKXKHHC-WZTYTAMOSA-N 1 1 680.934 6.279 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(C(N)=O)c2)CC1 ZINC000071280686 562716514 /nfs/dbraw/zinc/71/65/14/562716514.db2.gz YBODQSWROIJMDW-BETPUDKTSA-N 1 1 575.757 5.876 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000071295870 562717330 /nfs/dbraw/zinc/71/73/30/562717330.db2.gz FRIFKHCBKHZZLE-BCFRNYDHSA-N 1 1 639.866 6.027 1 0 KKAFMO CCC[N@H+]1[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C(=O)C[C@@H]1c1ccc(C(C)C)cc1 ZINC000071296832 562717588 /nfs/dbraw/zinc/71/75/88/562717588.db2.gz CRNOHPGCPLJAOD-WJBZFFPXSA-N 1 1 503.771 7.454 1 0 KKAFMO CC[NH+](CC)CCCCCCCOc1ccc(C(=O)c2ccc(CN(C)Cc3ccccc3)cc2)cc1 ZINC000071317124 562718164 /nfs/dbraw/zinc/71/81/64/562718164.db2.gz SDRNTFZOPOEUSB-UHFFFAOYSA-N 1 1 500.727 7.221 1 0 KKAFMO C[N@@H+](CC[C@@H](O)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330166 562719065 /nfs/dbraw/zinc/71/90/65/562719065.db2.gz QJIHBQHUALITFU-XMMPIXPASA-N 1 1 510.509 5.570 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCCCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071330880 562719244 /nfs/dbraw/zinc/71/92/44/562719244.db2.gz KUNKHTFNDVNYBY-LBNVMWSVSA-N 1 1 537.100 5.834 1 0 KKAFMO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331590 562719297 /nfs/dbraw/zinc/71/92/97/562719297.db2.gz WLNIVNVJKHJSOQ-SUUHDTSPSA-N 1 1 577.899 7.421 1 0 KKAFMO O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@H+](CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103478 562720342 /nfs/dbraw/zinc/72/03/42/562720342.db2.gz OLUKHOPUUWMDEI-VJGNERBWSA-N 1 1 509.050 5.218 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)NCC(F)(F)F)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072107099 562721179 /nfs/dbraw/zinc/72/11/79/562721179.db2.gz CFTPYNUSGDCEFZ-WEWMWRJBSA-N 1 1 668.191 7.493 1 0 KKAFMO C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@@H+]1CCC(F)(F)C1 ZINC000072110397 562721748 /nfs/dbraw/zinc/72/17/48/562721748.db2.gz JDVSLSGSBKIBLY-JRPXNJEYSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@H+]1CCC(F)(F)C1 ZINC000072110397 562721749 /nfs/dbraw/zinc/72/17/49/562721749.db2.gz JDVSLSGSBKIBLY-JRPXNJEYSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@@H+]1CCC(F)(F)C1 ZINC000072110400 562721758 /nfs/dbraw/zinc/72/17/58/562721758.db2.gz JDVSLSGSBKIBLY-IIMAJNMQSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)[N@H+]1CCC(F)(F)C1 ZINC000072110400 562721759 /nfs/dbraw/zinc/72/17/59/562721759.db2.gz JDVSLSGSBKIBLY-IIMAJNMQSA-N 1 1 539.070 6.057 1 0 KKAFMO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(C[NH+]5CCN(S(=O)(=O)c6cccc(C(F)(F)F)c6)CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000072110905 562721829 /nfs/dbraw/zinc/72/18/29/562721829.db2.gz DAFZNWOVLLXIBI-AWDKGCGGSA-N 1 1 596.756 5.355 1 0 KKAFMO CC[N@@H+](CCN1C[C@]2(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)OC1=O)Cc1ccccc1 ZINC000072112146 562722016 /nfs/dbraw/zinc/72/20/16/562722016.db2.gz FZIGSBNUCVLZFQ-VMIUUUFISA-N 1 1 506.731 6.311 1 0 KKAFMO CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N@@H+](C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072113446 562722368 /nfs/dbraw/zinc/72/23/68/562722368.db2.gz QMHGAMYFRQHCRD-RYWJELEGSA-N 1 1 504.719 5.904 1 0 KKAFMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccc(Cl)nn4)n3)CC2)cc1 ZINC000072120472 562724072 /nfs/dbraw/zinc/72/40/72/562724072.db2.gz HFDSJWUMUVYXTA-UHFFFAOYSA-N 1 1 611.112 6.576 1 0 KKAFMO Cc1ccc(-c2cc(CCC(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072120471 562724075 /nfs/dbraw/zinc/72/40/75/562724075.db2.gz WILZWWWYCSCGPH-UHFFFAOYSA-N 1 1 557.142 5.866 1 0 KKAFMO O=C(CNCCNc1c2ccccc2[nH+]c2c1CCCC2)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c31 ZINC000072121410 562724210 /nfs/dbraw/zinc/72/42/10/562724210.db2.gz DIWGQLKDVUAWID-UHFFFAOYSA-N 1 1 527.628 5.513 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000072122090 562724352 /nfs/dbraw/zinc/72/43/52/562724352.db2.gz CHFYKRHHVBHPRB-VBEKBXFHSA-N 1 1 685.693 7.565 3 0 KKAFMO FC(F)(F)c1cc(-c2ccc3c(c2)nccc3NCCC[NH2+]Cc2ccc3c(c2)OCO3)cc(C(F)(F)F)c1 ZINC000072124296 562724997 /nfs/dbraw/zinc/72/49/97/562724997.db2.gz JKHFSLBEFZOLFH-UHFFFAOYSA-N 1 1 547.499 7.260 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000072127039 562725599 /nfs/dbraw/zinc/72/55/99/562725599.db2.gz YDGJQJIVZCLABT-YZZMFXRHSA-N 1 1 641.834 5.744 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128003 562726007 /nfs/dbraw/zinc/72/60/07/562726007.db2.gz ULDPFQYFHJFBOQ-ZQWQDMLBSA-N 1 1 726.069 6.759 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 562726108 /nfs/dbraw/zinc/72/61/08/562726108.db2.gz KBOPCOOXEUGKAG-BWMKXQIXSA-N 1 1 678.274 6.941 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072128647 562726188 /nfs/dbraw/zinc/72/61/88/562726188.db2.gz PCXUVPXCMZTHGL-CUPIEXAXSA-N 1 1 680.041 6.331 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072134830 562727331 /nfs/dbraw/zinc/72/73/31/562727331.db2.gz YABSBZZUJWTBJP-WISKXVKBSA-N 1 1 670.005 6.129 3 0 KKAFMO COc1ccc(NC(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072135892 562727638 /nfs/dbraw/zinc/72/76/38/562727638.db2.gz JQPAJQARRJIYSV-XDWGWCSASA-N 1 1 622.766 6.358 3 0 KKAFMO CCc1[nH+]c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072135916 562727663 /nfs/dbraw/zinc/72/76/63/562727663.db2.gz OJZAKERZMOBMGZ-UHFFFAOYSA-N 1 1 535.442 5.344 3 0 KKAFMO C(=C/c1ccccc1)\C[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cccc3ccccc32)CC1 ZINC000072135945 562727665 /nfs/dbraw/zinc/72/76/65/562727665.db2.gz GBFRQWXGVGPRGD-ICFJDMLASA-N 1 1 500.650 5.295 3 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072136750 562728152 /nfs/dbraw/zinc/72/81/52/562728152.db2.gz ZOEFKOJLUANBOE-HQPLKVBUSA-N 1 1 714.058 6.528 3 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000072138125 562728663 /nfs/dbraw/zinc/72/86/63/562728663.db2.gz DXNHWVNJBJSZGC-BURCIIJTSA-N 1 1 541.692 5.041 3 0 KKAFMO O=C(OC[C@H]1OC(=O)N[C@@H]1C[NH+]1CCN(c2ccccc2)CC1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000072142585 562729585 /nfs/dbraw/zinc/72/95/85/562729585.db2.gz CFFQFWRLEOYAKZ-PILPWRDFSA-N 1 1 713.831 6.880 1 0 KKAFMO O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173154 562730832 /nfs/dbraw/zinc/73/08/32/562730832.db2.gz VPROAOHFEFPIMT-PJCMVOJSSA-N 1 1 647.048 5.590 1 0 KKAFMO CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[N@@H+](C)CC4)cc3OC(F)(F)F)nc1-2 ZINC000072179724 562732398 /nfs/dbraw/zinc/73/23/98/562732398.db2.gz LTJCDVIZSPUSDR-UHFFFAOYSA-N 1 1 676.744 5.773 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Oc1cccc(NC(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000072179943 562732463 /nfs/dbraw/zinc/73/24/63/562732463.db2.gz JSMHVUFIIHPEDP-UHFFFAOYSA-N 1 1 576.654 5.461 1 0 KKAFMO COC(=O)[C@@H]([NH2+]C1CCC(c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073196028 562735010 /nfs/dbraw/zinc/73/50/10/562735010.db2.gz KCFHUAKSGKPHFU-KOAJYHSYSA-N 1 1 553.625 5.695 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000073197655 562735438 /nfs/dbraw/zinc/73/54/38/562735438.db2.gz YSVMMPOFNJLWKA-SXOMAYOGSA-N 1 1 559.106 5.964 1 0 KKAFMO CCN(CC)C(=O)c1ccc(C(c2ccc(NC(C)=O)cc2)=C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073198961 562735930 /nfs/dbraw/zinc/73/59/30/562735930.db2.gz FAQVYBZKVQCYIH-UHFFFAOYSA-N 1 1 513.657 6.364 1 0 KKAFMO CC[N@@H+]1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311065 562737867 /nfs/dbraw/zinc/73/78/67/562737867.db2.gz GYGZRRGYBJLWRY-MPADRQKSSA-N 1 1 592.979 6.595 1 0 KKAFMO O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000082150845 562739857 /nfs/dbraw/zinc/73/98/57/562739857.db2.gz KUCYQFRFJSDZOM-UHFFFAOYSA-N 1 1 529.684 5.139 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165074 562741320 /nfs/dbraw/zinc/74/13/20/562741320.db2.gz YPTCVVCGFGDLDX-AFPLUKJUSA-N 1 1 709.852 5.249 1 0 KKAFMO CC[NH+]1CCN(C[C@@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164947 562741349 /nfs/dbraw/zinc/74/13/49/562741349.db2.gz ANPQBASXSZBVPK-VBTAUBHQSA-N 1 1 709.852 5.249 1 0 KKAFMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000082185547 562742296 /nfs/dbraw/zinc/74/22/96/562742296.db2.gz UEKRHVIBSZVFQN-LOYHVIPDSA-N 1 1 726.867 7.072 1 0 KKAFMO C[C@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000084425542 562743050 /nfs/dbraw/zinc/74/30/50/562743050.db2.gz DXBUCGZOLYBZDE-DJUQAAIZSA-N 1 1 510.122 5.829 1 0 KKAFMO C[C@H](CC(=O)NC1CCCCC1)CC(=O)N1CCC[N@H+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000084425542 562743051 /nfs/dbraw/zinc/74/30/51/562743051.db2.gz DXBUCGZOLYBZDE-DJUQAAIZSA-N 1 1 510.122 5.829 1 0 KKAFMO CCCCCCOc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](CCc4ccccc4)[C@@H]2N3C)cc1 ZINC000084466344 562743265 /nfs/dbraw/zinc/74/32/65/562743265.db2.gz GOORNMPSDKZVPT-WEZIJMHWSA-N 1 1 527.709 7.239 1 0 KKAFMO COc1cc(C(=O)N(CC[C@H]2CCC[N@H+]2C)C/C(C)=C/c2cc(F)cc(C(F)(F)F)c2)cc(OC)c1OC ZINC000084615744 562744523 /nfs/dbraw/zinc/74/45/23/562744523.db2.gz QUPDLXCNMYTGQL-JBSURENYSA-N 1 1 538.582 5.900 1 0 KKAFMO Cc1nc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)nn1-c1ccc(Cl)c(C)c1 ZINC000084616230 562744582 /nfs/dbraw/zinc/74/45/82/562744582.db2.gz BYGBLPYTDRVCQJ-LOSJGSFVSA-N 1 1 556.101 6.036 1 0 KKAFMO Cc1ccc(/C=C2\C[N@H+]([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652427 562746519 /nfs/dbraw/zinc/74/65/19/562746519.db2.gz SIKRLXCMRFQZMV-GTEABODUSA-N 1 1 627.188 8.863 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1CCN(C)[C@@H]3C2 ZINC000084653888 562747065 /nfs/dbraw/zinc/74/70/65/562747065.db2.gz KDAKERGIGVRSPM-FQLXRVMXSA-N 1 1 594.708 6.517 1 0 KKAFMO COc1c(C(C)(C)C)cc(C(=O)NC[C@H]2CC[N@@H+](CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1C(C)(C)C ZINC000084669047 562747842 /nfs/dbraw/zinc/74/78/42/562747842.db2.gz GQBISTGDMBIUFI-HHHXNRCGSA-N 1 1 618.853 9.013 1 0 KKAFMO O[C@@](Cn1cncn1)(C[N@@H+](CCCOc1ccc(Br)cc1)Cc1ccccc1)c1ccc(F)cc1F ZINC000084706909 562750050 /nfs/dbraw/zinc/75/00/50/562750050.db2.gz YVAARLQPHDLJTB-HHHXNRCGSA-N 1 1 557.439 5.178 1 0 KKAFMO C[NH+](C)CCN1C(=O)c2cccc3c(NCCCCCCNC(=O)c4ccc(N5CCN(CC=C(c6ccccc6)c6ccccc6)CC5)cc4)ccc(c32)C1=O ZINC000095536800 562754168 /nfs/dbraw/zinc/75/41/68/562754168.db2.gz KCBMXFUYGWSTAA-UHFFFAOYSA-N 1 1 762.999 7.654 1 0 KKAFMO CN(CCOC(=O)CCCC(=O)OCC[N@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540370 562755679 /nfs/dbraw/zinc/75/56/79/562755679.db2.gz YRMBXNMYKBLVGW-UHFFFAOYSA-N 1 1 807.735 6.936 1 0 KKAFMO CN(CCOC(=O)CCCC(=O)OCC[N@@H+](C)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095540370 562755680 /nfs/dbraw/zinc/75/56/80/562755680.db2.gz YRMBXNMYKBLVGW-UHFFFAOYSA-N 1 1 807.735 6.936 1 0 KKAFMO COCCOCCOCCOc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccc(C(=O)OC)c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095548702 562759397 /nfs/dbraw/zinc/75/93/97/562759397.db2.gz WWDLQJMCKHQUJJ-UHFFFAOYSA-N 1 1 776.887 6.194 1 0 KKAFMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc3c(=O)cc(CCc4cccc(F)c4F)n(CC(=O)N(C)Cc4ccc(-c5ccc(C(F)(F)F)cc5)cc4)c3n2)cc1 ZINC000095549146 562759778 /nfs/dbraw/zinc/75/97/78/562759778.db2.gz NEYXJVNPYRXVSK-LJAQVGFWSA-N 1 1 764.839 9.456 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551583 562760337 /nfs/dbraw/zinc/76/03/37/562760337.db2.gz UHVXBAOYWVPWNC-HHTOEHFBSA-N 1 1 736.914 10.859 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551583 562760338 /nfs/dbraw/zinc/76/03/38/562760338.db2.gz UHVXBAOYWVPWNC-HHTOEHFBSA-N 1 1 736.914 10.859 1 0 KKAFMO CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(C(=O)NCCCNc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1)[C@@H](C)CC ZINC000095551642 562760372 /nfs/dbraw/zinc/76/03/72/562760372.db2.gz JLPPGUDAOKSTLH-LTBUOFSJSA-N 1 1 801.429 7.255 1 0 KKAFMO CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000095562126 562763580 /nfs/dbraw/zinc/76/35/80/562763580.db2.gz NNBNYIRKIWKPQO-XMMPIXPASA-N 1 1 561.191 9.376 1 0 KKAFMO CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000095562372 562763670 /nfs/dbraw/zinc/76/36/70/562763670.db2.gz FDQHNDVVDQCJSB-DEOSSOPVSA-N 1 1 561.191 9.376 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095565253 562764595 /nfs/dbraw/zinc/76/45/95/562764595.db2.gz APSCYXRJDHETQP-GYONXWSNSA-N 1 1 729.702 7.294 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095566297 562764836 /nfs/dbraw/zinc/76/48/36/562764836.db2.gz QMWRRMYICQUONI-DOBRQBTGSA-N 1 1 627.807 5.435 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566424 562764950 /nfs/dbraw/zinc/76/49/50/562764950.db2.gz JQXCVRFSCSGTFT-IABYTQIASA-N 1 1 634.626 5.384 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095566427 562764966 /nfs/dbraw/zinc/76/49/66/562764966.db2.gz URAPLHCKRADHID-UNVFRBQDSA-N 1 1 626.701 5.920 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095566366 562764969 /nfs/dbraw/zinc/76/49/69/562764969.db2.gz BTOKSVPFEBLMIX-DSRMTXSPSA-N 1 1 712.719 6.384 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095566579 562765114 /nfs/dbraw/zinc/76/51/14/562765114.db2.gz RAWKXIVYXKZPFJ-FONBTEPMSA-N 1 1 616.656 5.770 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](CC(C)C)N(CC2CCCCC2)C1=S ZINC000095566898 562765339 /nfs/dbraw/zinc/76/53/39/562765339.db2.gz IBQRWOHUAXROCR-YRCZKMHPSA-N 1 1 612.010 6.564 3 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095566946 562765372 /nfs/dbraw/zinc/76/53/72/562765372.db2.gz AGQRDMGTSVKJPI-PHVLTXCSSA-N 1 1 599.654 5.025 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095567199 562765599 /nfs/dbraw/zinc/76/55/99/562765599.db2.gz DTGXRBNGNVLSQA-YYVZYSLYSA-N 1 1 672.911 7.791 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095567477 562765863 /nfs/dbraw/zinc/76/58/63/562765863.db2.gz YPKBHAMQCQAOQB-LSJJIYBBSA-N 1 1 732.804 6.465 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567689 562765958 /nfs/dbraw/zinc/76/59/58/562765958.db2.gz OYNIYJJSCYRIFI-PDOBOUQHSA-N 1 1 666.775 6.133 1 0 KKAFMO CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)C[N@H+](Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095567719 562766009 /nfs/dbraw/zinc/76/60/09/562766009.db2.gz DHPIXDXHWYRYQT-MKGJDZFWSA-N 1 1 573.738 5.286 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O ZINC000095567739 562766017 /nfs/dbraw/zinc/76/60/17/562766017.db2.gz RAWKXIVYXKZPFJ-RLCGNTSFSA-N 1 1 616.656 5.770 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567784 562766070 /nfs/dbraw/zinc/76/60/70/562766070.db2.gz NKYSZIASVRRVQA-XOYPNWLESA-N 1 1 705.900 6.816 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095567838 562766131 /nfs/dbraw/zinc/76/61/31/562766131.db2.gz NTYNVBJJDZWMGX-OUDXUNEISA-N 1 1 585.627 5.097 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)[C@@H]1CCCN1C[NH+]1CCCC1 ZINC000095568038 562766254 /nfs/dbraw/zinc/76/62/54/562766254.db2.gz MXBFJDNMFWRCMV-QOLOIHPDSA-N 1 1 641.621 6.105 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568213 562766367 /nfs/dbraw/zinc/76/63/67/562766367.db2.gz ORNNHAIJDBYIOA-BNJCFXFUSA-N 1 1 590.592 5.793 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568324 562766479 /nfs/dbraw/zinc/76/64/79/562766479.db2.gz CMAOMNSLQLVSHG-MODXFSQWSA-N 1 1 636.715 5.730 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568329 562766544 /nfs/dbraw/zinc/76/65/44/562766544.db2.gz MSWYKZTXSBUWAM-WISKXVKBSA-N 1 1 646.027 6.761 3 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095568391 562766551 /nfs/dbraw/zinc/76/65/51/562766551.db2.gz DTGXRBNGNVLSQA-UERSEFDJSA-N 1 1 672.911 7.791 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095568436 562766613 /nfs/dbraw/zinc/76/66/13/562766613.db2.gz GJYWPGQZJRIMRE-SBCJZHDBSA-N 1 1 649.877 5.458 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095568660 562766821 /nfs/dbraw/zinc/76/68/21/562766821.db2.gz LRCXRAHVEGXQLE-DOBRQBTGSA-N 1 1 643.806 5.561 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O ZINC000095568936 562767002 /nfs/dbraw/zinc/76/70/02/562767002.db2.gz MXAUBRBUARVCOA-IEOSBIPESA-N 1 1 598.666 5.630 1 0 KKAFMO CC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095568883 562767023 /nfs/dbraw/zinc/76/70/23/562767023.db2.gz HBIOTSSIAUJKOB-NCLPYWGKSA-N 1 1 588.749 5.290 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095568916 562767035 /nfs/dbraw/zinc/76/70/35/562767035.db2.gz YDGJQJIVZCLABT-KXLVQTRWSA-N 1 1 641.834 5.744 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O ZINC000095569034 562767142 /nfs/dbraw/zinc/76/71/42/562767142.db2.gz ZZFLVVQZHZTAAM-MGXQNUJRSA-N 1 1 666.860 6.367 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095569590 562767545 /nfs/dbraw/zinc/76/75/45/562767545.db2.gz CMNGXMPORQTCON-NSTRGFCRSA-N 1 1 629.802 5.149 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095569638 562767556 /nfs/dbraw/zinc/76/75/56/562767556.db2.gz RBOAJFBNHJWMOW-CBUCOWSNSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095569808 562767702 /nfs/dbraw/zinc/76/77/02/562767702.db2.gz UBMFRUBMXOVEAJ-HFAAXNRMSA-N 1 1 605.779 5.816 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569955 562767799 /nfs/dbraw/zinc/76/77/99/562767799.db2.gz RZMKFQMJULYPIX-POEUFYPISA-N 1 1 657.833 5.444 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095569965 562767809 /nfs/dbraw/zinc/76/78/09/562767809.db2.gz UEDLRIRBQUSIHX-NOUQMAPCSA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570097 562767922 /nfs/dbraw/zinc/76/79/22/562767922.db2.gz WNMJLARWBKXIKH-PDTNBVABSA-N 1 1 660.840 7.082 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095570285 562768061 /nfs/dbraw/zinc/76/80/61/562768061.db2.gz AHIVZLPYNOMDAU-RLYJWURVSA-N 1 1 608.739 6.475 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095570275 562768091 /nfs/dbraw/zinc/76/80/91/562768091.db2.gz ORNNHAIJDBYIOA-RLCGNTSFSA-N 1 1 590.592 5.793 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095570302 562768097 /nfs/dbraw/zinc/76/80/97/562768097.db2.gz CGLNLVFPHXEQAP-VXLXPWSCSA-N 1 1 653.529 7.008 1 0 KKAFMO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570631 562768296 /nfs/dbraw/zinc/76/82/96/562768296.db2.gz GJHPJKJHWVCAHT-GTKRZRNESA-N 1 1 704.022 6.326 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O ZINC000095570819 562768526 /nfs/dbraw/zinc/76/85/26/562768526.db2.gz JUFFYBBKNFKMBH-OVMXQCPESA-N 1 1 627.704 6.041 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095571125 562768763 /nfs/dbraw/zinc/76/87/63/562768763.db2.gz RFHYGNYQOWNNBL-LFINAOHFSA-N 1 1 736.759 6.730 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095571103 562768773 /nfs/dbraw/zinc/76/87/73/562768773.db2.gz PKQAAOKAAVIVOG-UBWLVADZSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC1=O ZINC000095571230 562768868 /nfs/dbraw/zinc/76/88/68/562768868.db2.gz IGUFQSLVAOYZBL-IKTKBOKFSA-N 1 1 650.742 5.659 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571248 562768919 /nfs/dbraw/zinc/76/89/19/562768919.db2.gz BTKKALCSURFCKW-DUELTEGESA-N 1 1 633.733 5.096 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571333 562768962 /nfs/dbraw/zinc/76/89/62/562768962.db2.gz ZVHZCYJHGRNXGN-AFKLWXAFSA-N 1 1 590.790 5.795 1 0 KKAFMO CC(C)Oc1cccc(C[N@H+]2CC[C@]3(CN(c4cccnc4)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000095577473 562770968 /nfs/dbraw/zinc/77/09/68/562770968.db2.gz WMNYPMGMKRSEED-RBISFHTESA-N 1 1 524.662 5.003 1 0 KKAFMO C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(OC(=O)CCc1ccccc1)Cc1cc(-c2ccc(Cl)cc2)cnc1[C@@H]3O5 ZINC000095578599 562771292 /nfs/dbraw/zinc/77/12/92/562771292.db2.gz IJYIYBWQZQDHRW-JJVQHPENSA-N 1 1 579.096 6.210 1 0 KKAFMO C[C@@H](OCc1ccccc1)[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095582606 562772634 /nfs/dbraw/zinc/77/26/34/562772634.db2.gz TUCXULKCFZVWCR-QUTKXAEUSA-N 1 1 543.752 5.027 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2ncc(C[NH+]3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000095586449 562773941 /nfs/dbraw/zinc/77/39/41/562773941.db2.gz FSENQQOVWLLLSY-UHFFFAOYSA-N 1 1 687.807 8.128 1 0 KKAFMO Cc1ccc2[nH+]c(-c3ccc(OCCCNC(=O)Nc4ccc(C(F)(F)F)cc4)c(Cl)c3)c(NC3CCCCC3)n2c1 ZINC000095589126 562774828 /nfs/dbraw/zinc/77/48/28/562774828.db2.gz GVIBHEMBVKBBBF-UHFFFAOYSA-N 1 1 600.085 8.317 1 0 KKAFMO COc1cccc(-c2csc(-c3ccc(Oc4ccc(C[N@@H+]5CCc6cc(OC)c(OC)cc6C5)cc4)nc3)n2)c1 ZINC000095589231 562774891 /nfs/dbraw/zinc/77/48/91/562774891.db2.gz XTIXUZDDNPXVTI-UHFFFAOYSA-N 1 1 565.695 7.249 1 0 KKAFMO COc1cccc(-c2csc(-c3ccc(Oc4ccc(C[N@H+]5CCc6cc(OC)c(OC)cc6C5)cc4)nc3)n2)c1 ZINC000095589231 562774892 /nfs/dbraw/zinc/77/48/92/562774892.db2.gz XTIXUZDDNPXVTI-UHFFFAOYSA-N 1 1 565.695 7.249 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000095589651 562775001 /nfs/dbraw/zinc/77/50/01/562775001.db2.gz AKAMCNVSSDZPIJ-UHFFFAOYSA-N 1 1 527.624 6.499 1 0 KKAFMO COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc(Nc3ccc(S(C)(=O)=O)cc3)c2cc1OC ZINC000095590782 562775362 /nfs/dbraw/zinc/77/53/62/562775362.db2.gz MEJZLMLSAGYUBR-RPWUZVMVSA-N 1 1 573.719 5.037 1 0 KKAFMO COc1cc(-c2[nH+]c3ccc(F)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095590938 562775445 /nfs/dbraw/zinc/77/54/45/562775445.db2.gz ZFNDORCOBKPABK-UHFFFAOYSA-N 1 1 615.628 7.383 1 0 KKAFMO COC(=O)c1ccc(-c2ccc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000095591240 562775583 /nfs/dbraw/zinc/77/55/83/562775583.db2.gz OASBKDULVGLJEP-UHFFFAOYSA-N 1 1 587.676 6.516 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095598854 562777613 /nfs/dbraw/zinc/77/76/13/562777613.db2.gz FIGGLCUVZRSRTI-YHPNNPEYSA-N 1 1 735.926 6.870 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095599031 562777708 /nfs/dbraw/zinc/77/77/08/562777708.db2.gz YUYBEPSVBUXRNH-LVDDARDMSA-N 1 1 715.719 7.574 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599089 562777768 /nfs/dbraw/zinc/77/77/68/562777768.db2.gz RBOAJFBNHJWMOW-CYCDCDHJSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095599223 562777857 /nfs/dbraw/zinc/77/78/57/562777857.db2.gz FDDMFJKLVOMWML-ZXRNXFTDSA-N 1 1 703.683 7.704 1 0 KKAFMO 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)Nc3ccccc3)cc2C1=O ZINC000095599221 562777898 /nfs/dbraw/zinc/77/78/98/562777898.db2.gz VEYXNSARLJIJRR-CBUCOWSNSA-N 1 1 684.800 7.277 1 0 KKAFMO CCC[N@@H+](C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095599374 562777977 /nfs/dbraw/zinc/77/79/77/562777977.db2.gz DPWBPPWCHVQSHF-SFOWLQBLSA-N 1 1 553.744 5.076 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599620 562778207 /nfs/dbraw/zinc/77/82/07/562778207.db2.gz DVNKZOFDASKPOO-OKUKWLBTSA-N 1 1 806.426 6.903 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599719 562778288 /nfs/dbraw/zinc/77/82/88/562778288.db2.gz UQRVVYXDOOLUAO-FXRKCPOXSA-N 1 1 723.830 6.573 1 0 KKAFMO Cc1noc(C)c1NC(=O)Nc1cccc2c1O[C@H](C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)[C@H](C)CN([C@@H](C)CO)C2=O ZINC000095599785 562778354 /nfs/dbraw/zinc/77/83/54/562778354.db2.gz RQWZPZKMXFSKNS-FUMQJTLXSA-N 1 1 603.642 5.306 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600005 562778474 /nfs/dbraw/zinc/77/84/74/562778474.db2.gz UQRVVYXDOOLUAO-IUVSGJEMSA-N 1 1 723.830 6.573 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600438 562778936 /nfs/dbraw/zinc/77/89/36/562778936.db2.gz LFZLAWVTNRSJHJ-MEOLXUPJSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778956 /nfs/dbraw/zinc/77/89/56/562778956.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N 1 1 620.599 5.075 1 0 KKAFMO 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(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600529 562778978 /nfs/dbraw/zinc/77/89/78/562778978.db2.gz UQRVVYXDOOLUAO-OJQFFXEZSA-N 1 1 723.830 6.573 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095600643 562779123 /nfs/dbraw/zinc/77/91/23/562779123.db2.gz JRHQODKPGBTKIY-HNMNOHOESA-N 1 1 614.665 5.710 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600914 562779297 /nfs/dbraw/zinc/77/92/97/562779297.db2.gz ZBBNPLMVFVREHD-WKOYJDCPSA-N 1 1 719.867 6.742 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095601349 562779592 /nfs/dbraw/zinc/77/95/92/562779592.db2.gz CHFYKRHHVBHPRB-BEAGFIRGSA-N 1 1 685.693 7.565 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601343 562779599 /nfs/dbraw/zinc/77/95/99/562779599.db2.gz ORTMWWQHMCADOR-HOPFVHLTSA-N 1 1 741.178 7.375 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000095601688 562779705 /nfs/dbraw/zinc/77/97/05/562779705.db2.gz BACUFSHCHJQBQC-PQKZQXQFSA-N 1 1 652.877 6.647 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095602002 562779818 /nfs/dbraw/zinc/77/98/18/562779818.db2.gz KTOLAWMRFLMANX-UGDHZGHBSA-N 1 1 683.812 6.814 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095602348 562780047 /nfs/dbraw/zinc/78/00/47/562780047.db2.gz MQYRYLVPTZBBHK-IHLWBQKJSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095603102 562780342 /nfs/dbraw/zinc/78/03/42/562780342.db2.gz JUEHVKXRGUAEIX-IFGDVQFWSA-N 1 1 753.690 8.584 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603048 562780383 /nfs/dbraw/zinc/78/03/83/562780383.db2.gz ORTMWWQHMCADOR-NSNSFMLXSA-N 1 1 741.178 7.375 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O ZINC000095603336 562780446 /nfs/dbraw/zinc/78/04/46/562780446.db2.gz XJOPVLQFFGEWNL-DUELTEGESA-N 1 1 597.678 5.168 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604013 562780787 /nfs/dbraw/zinc/78/07/87/562780787.db2.gz KBXMRUCREHCPDM-BWLKTWDLSA-N 1 1 672.288 6.068 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605124 562781356 /nfs/dbraw/zinc/78/13/56/562781356.db2.gz BXFZIXJRVHHTCE-GMERYBDXSA-N 1 1 678.336 6.448 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095605158 562781403 /nfs/dbraw/zinc/78/14/03/562781403.db2.gz CHFYKRHHVBHPRB-FXRKCPOXSA-N 1 1 685.693 7.565 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](C[N@@H+](C)CC2CC2)OCCCC[C@H](C)O3)cc1 ZINC000095605710 562781680 /nfs/dbraw/zinc/78/16/80/562781680.db2.gz NRXGVPPIKRTMIX-WQLOUEFUSA-N 1 1 610.796 5.477 1 0 KKAFMO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095606781 562782408 /nfs/dbraw/zinc/78/24/08/562782408.db2.gz NUZHSQZGCWZLGP-NWPKOSFFSA-N 1 1 836.308 5.949 1 0 KKAFMO Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)o1 ZINC000095606781 562782409 /nfs/dbraw/zinc/78/24/09/562782409.db2.gz NUZHSQZGCWZLGP-NWPKOSFFSA-N 1 1 836.308 5.949 1 0 KKAFMO O=C(Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCc1ccccc1 ZINC000095610105 562784177 /nfs/dbraw/zinc/78/41/77/562784177.db2.gz KAIRDRAOLOPZSO-ZESVVUHVSA-N 1 1 827.764 7.370 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)[C@@H]3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 ZINC000095613111 562786087 /nfs/dbraw/zinc/78/60/87/562786087.db2.gz RLNPOKFCWGHIDM-AUTLPZPGSA-N 1 1 738.798 8.556 1 0 KKAFMO COc1cc(N2CCC([NH+]3CCN(S(C)(=O)=O)CC3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000095615791 562787520 /nfs/dbraw/zinc/78/75/20/562787520.db2.gz HMXWMMRCKSDFCV-UHFFFAOYSA-N 1 1 793.901 6.287 1 0 KKAFMO CC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000095670200 562788273 /nfs/dbraw/zinc/78/82/73/562788273.db2.gz DPSGNGUIODYZLY-IGKIAQTJSA-N 1 1 501.545 5.790 1 0 KKAFMO CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)[N@@H+](Cc2ccccc2F)C[C@H]1C ZINC000095680930 562788466 /nfs/dbraw/zinc/78/84/66/562788466.db2.gz TVLVZKZYTBAWER-GVNDJSPXSA-N 1 1 566.649 5.615 1 0 KKAFMO O=C(OCCN1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000095696509 562788550 /nfs/dbraw/zinc/78/85/50/562788550.db2.gz WUZZMDNESQIDNQ-UHFFFAOYSA-N 1 1 536.554 5.856 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095772040 562788961 /nfs/dbraw/zinc/78/89/61/562788961.db2.gz CHFYKRHHVBHPRB-IUVSGJEMSA-N 1 1 685.693 7.565 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095783166 562789068 /nfs/dbraw/zinc/78/90/68/562789068.db2.gz LFZLAWVTNRSJHJ-PVLYCHHLSA-N 1 1 735.866 6.442 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797971 562789189 /nfs/dbraw/zinc/78/91/89/562789189.db2.gz GEHYZVJWEZJPPP-SYZUXVNWSA-N 1 1 540.626 5.862 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825676 562789327 /nfs/dbraw/zinc/78/93/27/562789327.db2.gz KHFPDWFEACXBKS-XUKQSAIQSA-N 1 1 678.251 6.214 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)Oc2c(NC(=O)Nc3ccc(C(F)(F)F)cc3)cccc2C1=O ZINC000095834881 562789382 /nfs/dbraw/zinc/78/93/82/562789382.db2.gz IVGISJLMDFIDFY-LGVUCKNBSA-N 1 1 590.687 6.082 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000095842788 562789458 /nfs/dbraw/zinc/78/94/58/562789458.db2.gz YYDNQDJHLPZHQX-UHFFFAOYSA-N 1 1 588.552 6.995 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095868104 562789894 /nfs/dbraw/zinc/78/98/94/562789894.db2.gz ZWEDFXZUTGJBMW-HFZPWKHCSA-N 1 1 593.690 6.354 1 0 KKAFMO CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CC[N@H+](CC(=O)N(C)C)CC4)nc12 ZINC000096169880 562790893 /nfs/dbraw/zinc/79/08/93/562790893.db2.gz SSSVXQMBQCBGKP-UHFFFAOYSA-N 1 1 580.655 5.682 1 0 KKAFMO c1ccc(CCN2CC[NH+](Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174027 562791572 /nfs/dbraw/zinc/79/15/72/562791572.db2.gz ZOGYRRQDJUSCJU-UHFFFAOYSA-N 1 1 513.649 5.414 1 0 KKAFMO CC[NH+]1CCC(c2cc(OC(C)C)c(Nc3nc4nn[nH]c4c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2C)CC1 ZINC000096177953 562792519 /nfs/dbraw/zinc/79/25/19/562792519.db2.gz IWJVDVDFZJZBNP-UHFFFAOYSA-N 1 1 592.770 5.712 1 0 KKAFMO CN1CC[NH+](CCOc2ccc(-c3cc4c(ncnc4NCCc4ccc(NC(=O)Nc5ccccc5)cc4)o3)cc2)CC1 ZINC000096272621 562794182 /nfs/dbraw/zinc/79/41/82/562794182.db2.gz PRBZWJDAVYGYMK-UHFFFAOYSA-N 1 1 591.716 5.815 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096285100 562795434 /nfs/dbraw/zinc/79/54/34/562795434.db2.gz YEGSATWQBXVWBX-UHFFFAOYSA-N 1 1 635.740 6.814 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000096300742 562796214 /nfs/dbraw/zinc/79/62/14/562796214.db2.gz GLRQKOKFWIXNOJ-UHFFFAOYSA-N 1 1 627.692 5.893 1 0 KKAFMO CCOC(=O)c1cn(Cc2c(F)cccc2F)c2nc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000096300742 562796215 /nfs/dbraw/zinc/79/62/15/562796215.db2.gz GLRQKOKFWIXNOJ-UHFFFAOYSA-N 1 1 627.692 5.893 1 0 KKAFMO CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc5ccccc54)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302086 562796289 /nfs/dbraw/zinc/79/62/89/562796289.db2.gz JMOOJQQUXGNGBN-VZIQHIPPSA-N 1 1 610.818 7.180 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@H+](CCc4ccc(Cl)cc4)[C@@H]2N3C)cc1 ZINC000096315973 562796486 /nfs/dbraw/zinc/79/64/86/562796486.db2.gz LIDZZTBAUPHQIJ-JDXGNMNLSA-N 1 1 504.074 7.056 1 0 KKAFMO CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@H+](CCc4ccc(Cl)cc4)[C@@H]2N3C)cc1 ZINC000096315973 562796487 /nfs/dbraw/zinc/79/64/87/562796487.db2.gz LIDZZTBAUPHQIJ-JDXGNMNLSA-N 1 1 504.074 7.056 1 0 KKAFMO 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)N(C)CC4 ZINC000096900361 562796845 /nfs/dbraw/zinc/79/68/45/562796845.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 1 1 751.880 8.854 1 0 KKAFMO 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)N(C)CC4 ZINC000096900361 562796846 /nfs/dbraw/zinc/79/68/46/562796846.db2.gz PAADDBVCBWRBBU-PQQNNWGCSA-N 1 1 751.880 8.854 1 0 KKAFMO COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)N(C)CC4)cc1 ZINC000096900642 562796944 /nfs/dbraw/zinc/79/69/44/562796944.db2.gz TUVJHVFGUYHZJS-URLMMPGGSA-N 1 1 668.787 6.457 1 0 KKAFMO CC[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C)CC2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096907119 562799054 /nfs/dbraw/zinc/79/90/54/562799054.db2.gz KYZYLGZSDAEOLI-OVDCWBHGSA-N 1 1 654.708 6.780 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907741 562799206 /nfs/dbraw/zinc/79/92/06/562799206.db2.gz DUMWFMFWWQGRCL-HTOJEEBVSA-N 1 1 664.644 7.035 1 0 KKAFMO CC(C)[C@@H](C[N@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2O)c(Cl)c1 ZINC000096909590 562799640 /nfs/dbraw/zinc/79/96/40/562799640.db2.gz OBQLXRWCAJNTDR-NBGIEHNGSA-N 1 1 524.061 5.509 1 0 KKAFMO COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCC[NH+]6CCOCC6)c(OC)cc54)c(F)c3)c3ccccc3n2)cc1 ZINC000096927379 562802646 /nfs/dbraw/zinc/80/26/46/562802646.db2.gz QHIHEXYFEHLAPO-UHFFFAOYSA-N 1 1 688.756 7.752 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)ccn2)cc1F ZINC000096932309 562803362 /nfs/dbraw/zinc/80/33/62/562803362.db2.gz HSAFYPRFIPETBQ-UHFFFAOYSA-N 1 1 622.697 6.899 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(C)cc3)n2)cc1F ZINC000096935350 562804074 /nfs/dbraw/zinc/80/40/74/562804074.db2.gz DAKMWSGHMCQEFB-UHFFFAOYSA-N 1 1 636.728 6.209 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@@]1(O)CSc1ccccc1 ZINC000096939392 562804775 /nfs/dbraw/zinc/80/47/75/562804775.db2.gz QFIJRPPWZAIMLZ-AREMUKBSSA-N 1 1 565.061 5.434 1 0 KKAFMO O=C1[C@H]2[C@@H](C(=O)N1CCCN1CC[NH+](CCCN3C(=O)[C@@H]4[C@@H](C3=O)C3c5ccccc5C4c4ccccc43)CC1)C1c3ccccc3C2c2ccccc21 ZINC000098085233 562805828 /nfs/dbraw/zinc/80/58/28/562805828.db2.gz NIYHRHQXPVSRCC-ZNUXAQOFSA-N 1 1 716.882 5.169 1 0 KKAFMO CC(=O)N1CCc2c(ncn2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(C)cc2)c2ccccc2)C1 ZINC000100076341 562806609 /nfs/dbraw/zinc/80/66/09/562806609.db2.gz QDLMLMQOJXBDGX-PKQPGRETSA-N 1 1 540.712 5.393 1 0 KKAFMO O=C(CCC[NH+]1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000100764967 562807806 /nfs/dbraw/zinc/80/78/06/562807806.db2.gz OVMNCJZWQJDRMI-UHFFFAOYSA-N 1 1 502.033 6.430 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000101160430 562809559 /nfs/dbraw/zinc/80/95/59/562809559.db2.gz JHNQKQRRXFXQGB-UQWUFBTJSA-N 1 1 521.109 6.660 1 0 KKAFMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C(=O)NCc1ccccc1)c1ccccc1 ZINC000101162923 562809610 /nfs/dbraw/zinc/80/96/10/562809610.db2.gz VPFJSJRNUOALOS-KUMHGWDASA-N 1 1 500.691 5.684 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(c2ncccn2)CC1 ZINC000101193224 562809785 /nfs/dbraw/zinc/80/97/85/562809785.db2.gz DTXCHAZBXSLREA-KUMHGWDASA-N 1 1 506.698 5.931 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)N(C(C)C)C(C)C)CC1 ZINC000101193537 562809829 /nfs/dbraw/zinc/80/98/29/562809829.db2.gz ODTAMWROBLPBMJ-YHTXFFTCSA-N 1 1 555.811 7.175 1 0 KKAFMO COC(=O)[C@@H](c1cccc(C)c1C)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193605 562809856 /nfs/dbraw/zinc/80/98/56/562809856.db2.gz FJROMRAVXXGMPG-JMNGKNCGSA-N 1 1 604.839 7.468 1 0 KKAFMO C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccc(Cl)cc1 ZINC000101338046 562810366 /nfs/dbraw/zinc/81/03/66/562810366.db2.gz GXEILWZMBSGTIK-XYLBCIRHSA-N 1 1 505.049 5.434 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000101624948 562811425 /nfs/dbraw/zinc/81/14/25/562811425.db2.gz KVGVPXHSSHDBTN-MNHGUUTPSA-N 1 1 597.754 6.441 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(C(F)(F)F)cc2F)C3)n1C ZINC000101638895 562811442 /nfs/dbraw/zinc/81/14/42/562811442.db2.gz NWCMUBVTFZOFKO-VBUUOAMHSA-N 1 1 509.573 5.829 1 0 KKAFMO CC(C)N1CC[NH+](CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696190 562811760 /nfs/dbraw/zinc/81/17/60/562811760.db2.gz YWRRGDPMGAFLLQ-UHFFFAOYSA-N 1 1 610.780 6.019 1 0 KKAFMO C[NH+](C)CCN1CCN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000101696367 562811882 /nfs/dbraw/zinc/81/18/82/562811882.db2.gz QTEAHOAHKMIVFU-UHFFFAOYSA-N 1 1 639.822 5.172 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806553 562813343 /nfs/dbraw/zinc/81/33/43/562813343.db2.gz GYWUGKYGQVCSEZ-AKZSVYKISA-N 1 1 641.758 5.706 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3SC=C(C)N3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929155 562813540 /nfs/dbraw/zinc/81/35/40/562813540.db2.gz SOIKWGFTIHYYLR-ODVIPSCOSA-N 1 1 519.667 5.715 1 0 KKAFMO C[S@](=O)(=NC(=O)C[NH2+]C1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000103064821 562814174 /nfs/dbraw/zinc/81/41/74/562814174.db2.gz WNGUVVOPYXLYDH-LDLOPFEMSA-N 1 1 588.517 5.409 1 0 KKAFMO C[S@@](=O)(=NCC[NH+]1CCCC1)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000103073196 562814214 /nfs/dbraw/zinc/81/42/14/562814214.db2.gz WLZSLUVKTMOZQJ-QNGWXLTQSA-N 1 1 560.507 5.446 1 0 KKAFMO NC(=O)[C@]1(c2cc(F)cc(F)n2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103225823 562817758 /nfs/dbraw/zinc/81/77/58/562817758.db2.gz DDPAKFQDERXQHD-KQESFQHQSA-N 1 1 502.392 5.806 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103227189 562817870 /nfs/dbraw/zinc/81/78/70/562817870.db2.gz SCDVTYVEEOZJQT-ZZXHUEHTSA-N 1 1 528.722 5.665 1 0 KKAFMO C[NH+](C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2nc[nH]c2cc1Cl ZINC000103229639 562818055 /nfs/dbraw/zinc/81/80/55/562818055.db2.gz IERPSACAQPXIGP-UHFFFAOYSA-N 1 1 547.974 5.178 1 0 KKAFMO COC(=O)N[C@]1(Cc2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000103229889 562818106 /nfs/dbraw/zinc/81/81/06/562818106.db2.gz QUIALWNBYZWUGD-ISRMLTCMSA-N 1 1 543.922 7.701 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000103234001 562818514 /nfs/dbraw/zinc/81/85/14/562818514.db2.gz MRVLFWHAHZIKHJ-GRJQRVBMSA-N 1 1 562.758 7.273 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000103233997 562818528 /nfs/dbraw/zinc/81/85/28/562818528.db2.gz CWWCVNHXIZBXTP-OUOZDZGXSA-N 1 1 528.741 6.872 1 0 KKAFMO Cc1nc2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C2CCCC2)CC1 ZINC000103234824 562818631 /nfs/dbraw/zinc/81/86/31/562818631.db2.gz GQPFEFJTOGPMSY-RLPLKTQASA-N 1 1 524.753 6.653 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000103239102 562819241 /nfs/dbraw/zinc/81/92/41/562819241.db2.gz LFXBSJJXYYSCJX-UHFFFAOYSA-N 1 1 550.537 6.680 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000103239102 562819242 /nfs/dbraw/zinc/81/92/42/562819242.db2.gz LFXBSJJXYYSCJX-UHFFFAOYSA-N 1 1 550.537 6.680 1 0 KKAFMO O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1Oc1cccc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000103239105 562819288 /nfs/dbraw/zinc/81/92/88/562819288.db2.gz WVPLACJWBZEWJI-UHFFFAOYSA-N 1 1 550.537 6.680 1 0 KKAFMO CCC[N@@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(OC2CCCC2)cc1 ZINC000103239351 562819330 /nfs/dbraw/zinc/81/93/30/562819330.db2.gz IMVYQCSGVSLZOP-UHFFFAOYSA-N 1 1 548.749 6.395 1 0 KKAFMO O=C(N1CCN(c2ccccn2)CC1)[C@]1(Oc2ccc(C(F)(F)F)cc2)CCC[N@@H+](CC2CCCCC2)C1 ZINC000103261486 562821388 /nfs/dbraw/zinc/82/13/88/562821388.db2.gz BXWNFSDIKPXQSG-NDEPHWFRSA-N 1 1 530.635 5.243 1 0 KKAFMO CC[C@H]1CN(c2ncc(-c3ncon3)cc2Cl)CC[N@H+]1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000103266158 562822214 /nfs/dbraw/zinc/82/22/14/562822214.db2.gz BDSGFLHMKUKCCT-FQEVSTJZSA-N 1 1 519.452 5.143 1 0 KKAFMO O=C(Nc1cccc(Nc2ncnc3cc(OCCC[NH+]4CCOCC4)ccc32)c1)Nc1ccc(F)c(Cl)c1 ZINC000103297191 562824575 /nfs/dbraw/zinc/82/45/75/562824575.db2.gz GETNIGWOTOBHPR-UHFFFAOYSA-N 1 1 551.022 5.911 1 0 KKAFMO CC[N@@H+](CCO)CCCOc1ccc2c(c1)ncnc2Nc1cccc(NC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000103297196 562824599 /nfs/dbraw/zinc/82/45/99/562824599.db2.gz ZBXDUDJPTQSVHR-UHFFFAOYSA-N 1 1 553.038 5.893 1 0 KKAFMO OC[C@@H](O)C[N@H+]1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297272 562824613 /nfs/dbraw/zinc/82/46/13/562824613.db2.gz QZTIHPDSTDDSTG-BDTNDASRSA-N 1 1 505.313 6.442 1 0 KKAFMO COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105427752 562825243 /nfs/dbraw/zinc/82/52/43/562825243.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 1 1 576.693 6.831 1 0 KKAFMO COc1cc2ccc1-c1cc(ccc1O)C[C@@H]1c3cc4c(cc3CC[N@@H+]1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105427752 562825244 /nfs/dbraw/zinc/82/52/44/562825244.db2.gz PQJUAFOFVNRFTF-IZLXSDGUSA-N 1 1 576.693 6.831 1 0 KKAFMO C[NH+](C)C[C@@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114036155 562827062 /nfs/dbraw/zinc/82/70/62/562827062.db2.gz PFLMYODGKHIOEW-AREMUKBSSA-N 1 1 520.004 6.331 1 0 KKAFMO C[NH+](C)C[C@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)cc1 ZINC000114036157 562827067 /nfs/dbraw/zinc/82/70/67/562827067.db2.gz PFLMYODGKHIOEW-SANMLTNESA-N 1 1 520.004 6.331 1 0 KKAFMO C[NH2+][C@@H]1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038430 562827302 /nfs/dbraw/zinc/82/73/02/562827302.db2.gz HVDIRHNKXLIIAK-LJQANCHMSA-N 1 1 505.981 5.539 1 0 KKAFMO O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)cn1)C1CC1 ZINC000114039140 562827420 /nfs/dbraw/zinc/82/74/20/562827420.db2.gz YKKRYBCFIZSNOR-UHFFFAOYSA-N 1 1 517.992 5.541 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114099291 562827662 /nfs/dbraw/zinc/82/76/62/562827662.db2.gz PRZQQYWZXJSACG-AREMUKBSSA-N 1 1 508.106 6.054 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000114100404 562827739 /nfs/dbraw/zinc/82/77/39/562827739.db2.gz CTKUJBLIOZDCKM-HHHXNRCGSA-N 1 1 522.133 6.444 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)C3CC[NH2+]CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795433 562830675 /nfs/dbraw/zinc/83/06/75/562830675.db2.gz OQQLKHVTFRESEW-BHYPCEDZSA-N 1 1 576.181 6.949 1 0 KKAFMO C[C@@H]1C[N@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000118921611 562830990 /nfs/dbraw/zinc/83/09/90/562830990.db2.gz IYHGEKFCMCXIEF-SKLAJGPBSA-N 1 1 624.810 6.132 1 0 KKAFMO C[C@@H]1C[N@@H+](C[C@@]2(O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)[C@H](C)CN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000118921611 562830991 /nfs/dbraw/zinc/83/09/91/562830991.db2.gz IYHGEKFCMCXIEF-SKLAJGPBSA-N 1 1 624.810 6.132 1 0 KKAFMO 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 ZINC000135799553 562831067 /nfs/dbraw/zinc/83/10/67/562831067.db2.gz XHEDQUWNGKQHNB-NFQPKNNSSA-N 1 1 581.801 5.709 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138445707 562831871 /nfs/dbraw/zinc/83/18/71/562831871.db2.gz LCLJUGQQFWCBGK-XMCHAPAWSA-N 1 1 603.482 5.247 1 0 KKAFMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3c2C(=O)N(C)[C@@H]3C)n1 ZINC000138445707 562831872 /nfs/dbraw/zinc/83/18/72/562831872.db2.gz LCLJUGQQFWCBGK-XMCHAPAWSA-N 1 1 603.482 5.247 1 0 KKAFMO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000138528896 562832031 /nfs/dbraw/zinc/83/20/31/562832031.db2.gz UMVQRVFLSLPAEH-FDFHNCONSA-N 1 1 521.464 5.419 1 0 KKAFMO CC(C)[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140192895 562832906 /nfs/dbraw/zinc/83/29/06/562832906.db2.gz ALFABUCBNSTHNO-DAAIBCRRSA-N 1 1 553.691 6.038 1 0 KKAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000141660921 562833748 /nfs/dbraw/zinc/83/37/48/562833748.db2.gz PNJLEWKKJOUPJD-AHKZPQOWSA-N 1 1 583.714 5.217 1 0 KKAFMO C[N@H+]1Cc2cc(Nc3ncc4c(=O)n(-c5c(Cl)cccc5Cl)c5nccn5c4n3)ccc2C(C)(C)C1 ZINC000144111802 562835797 /nfs/dbraw/zinc/83/57/97/562835797.db2.gz FIEFUTLSNLZAGA-UHFFFAOYSA-N 1 1 520.424 5.202 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000146089409 562838266 /nfs/dbraw/zinc/83/82/66/562838266.db2.gz JXNAGSCGTVRAMA-UHFFFAOYSA-N 1 1 518.596 6.134 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000146089409 562838267 /nfs/dbraw/zinc/83/82/67/562838267.db2.gz JXNAGSCGTVRAMA-UHFFFAOYSA-N 1 1 518.596 6.134 1 0 KKAFMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccc5)C5CC5)cc43)cc1)C2 ZINC000146872372 562838891 /nfs/dbraw/zinc/83/88/91/562838891.db2.gz IYBGHBZUXSMOKI-VBYFIUKGSA-N 1 1 506.650 6.115 1 0 KKAFMO CO[C@H]1CN(c2nc(-c3c4c(ccc3C)n[nH]c4C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1[NH+](C)C ZINC000146989388 562839022 /nfs/dbraw/zinc/83/90/22/562839022.db2.gz CHAJUOPMJHESDM-VMPREFPWSA-N 1 1 553.755 5.396 1 0 KKAFMO CCN(c1cc(-c2ccc(C[N@H+]3CC[C@@H](F)C3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000147060533 562839052 /nfs/dbraw/zinc/83/90/52/562839052.db2.gz KSWLTLQBXNTQPH-MUUNZHRXSA-N 1 1 574.741 5.446 1 0 KKAFMO COc1ccc(NC(=O)c2ccc(Cl)c(Nc3ncnc4cnc(N5CCC[N@@H+](C)CC5)nc43)c2)cc1C(F)(F)F ZINC000148064667 562840082 /nfs/dbraw/zinc/84/00/82/562840082.db2.gz UAJAYUZTLWGQGG-UHFFFAOYSA-N 1 1 587.006 5.238 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2ccn3C)C1 ZINC000148606528 562841495 /nfs/dbraw/zinc/84/14/95/562841495.db2.gz YUOQDCRTZDLQDD-QHCPKHFHSA-N 1 1 510.078 5.500 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CC[N@@H+](Cc2cccc3c2CCN3C)C1 ZINC000148607289 562841524 /nfs/dbraw/zinc/84/15/24/562841524.db2.gz LQJLPHKCTDJNTM-QHCPKHFHSA-N 1 1 512.094 5.000 1 0 KKAFMO C[C@H](CCCc1ccc(F)cc1)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@@H+](Cc2ccccc2)CC1 ZINC000148778824 562841765 /nfs/dbraw/zinc/84/17/65/562841765.db2.gz NNWHHZWGFMXAIM-DNQXCXABSA-N 1 1 513.697 8.124 1 0 KKAFMO C[NH+](C)CC(=O)Nc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524943 562843761 /nfs/dbraw/zinc/84/37/61/562843761.db2.gz TVTLGOIVRRCYMP-YTTGMZPUSA-N 1 1 706.688 5.022 1 0 KKAFMO CC[NH+]1CCN(c2c(F)cccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606287 562847910 /nfs/dbraw/zinc/84/79/10/562847910.db2.gz SKOJQVCTPDDCCR-CYEXUTLASA-N 1 1 678.919 5.818 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CCCC5)c2CO)cc(Nc2ccc(C3CC[NH+](C4COC4)CC3)cn2)c1=O ZINC000164266349 562849542 /nfs/dbraw/zinc/84/95/42/562849542.db2.gz IBWBIFGSNGIJTN-UHFFFAOYSA-N 1 1 669.823 5.544 1 0 KKAFMO Cc1cnc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn12 ZINC000167020187 562850614 /nfs/dbraw/zinc/85/06/14/562850614.db2.gz RYHINOVPVSNHAE-UHFFFAOYSA-N 1 1 512.621 5.460 1 0 KKAFMO CC(C)[NH+]1CCC(C(=O)Nc2cc(Oc3ccc4c(c3)nc(Nc3cccc(C(C)(C)C)c3)n4C)ccn2)CC1 ZINC000167132045 562850653 /nfs/dbraw/zinc/85/06/53/562850653.db2.gz XTXLNRXRPGKTRM-UHFFFAOYSA-N 1 1 540.712 6.861 1 0 KKAFMO COc1ccccc1-c1ccc(CCNC(=O)c2ccc3c(c2)[C@@]2(C)CC[N@@H+](CC4CC4)[C@@H](C3)[C@@H]2C)cc1 ZINC000169291250 562851891 /nfs/dbraw/zinc/85/18/91/562851891.db2.gz GGAPOKLXWIOMRA-UENJDZAYSA-N 1 1 508.706 6.269 1 0 KKAFMO Cc1nc(C)c(-c2nnc(SCCC[N@H+]3CC[C@@H]4C[C@@]4(c4ccc(C(F)(F)F)cc4)CC3)n2C)s1 ZINC000169297732 562852573 /nfs/dbraw/zinc/85/25/73/562852573.db2.gz HIVHEOCGLZASLB-HYBUGGRVSA-N 1 1 521.678 6.110 1 0 KKAFMO O=C(OCc1cn([C@@H]2C[N@H+](CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169300363 562852809 /nfs/dbraw/zinc/85/28/09/562852809.db2.gz CXQUFXAIHBRRMW-PFBJBMPXSA-N 1 1 509.050 5.218 1 0 KKAFMO CC(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000169300828 562852836 /nfs/dbraw/zinc/85/28/36/562852836.db2.gz SIZIBPAHPIUMOL-KEKPKEOLSA-N 1 1 536.713 5.421 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1OC ZINC000169301439 562852907 /nfs/dbraw/zinc/85/29/07/562852907.db2.gz WKMZLMAXSGDHJM-IXCJQBJRSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1OC ZINC000169301439 562852908 /nfs/dbraw/zinc/85/29/08/562852908.db2.gz WKMZLMAXSGDHJM-IXCJQBJRSA-N 1 1 544.692 5.269 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCCc4ccccc43)n2)CC1 ZINC000169323818 562857160 /nfs/dbraw/zinc/85/71/60/562857160.db2.gz KFZGMPRLIYMHNN-UHFFFAOYSA-N 1 1 592.151 6.787 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CCc4ccccc4C3)n2)CC1 ZINC000169323828 562857168 /nfs/dbraw/zinc/85/71/68/562857168.db2.gz QYFFGSUYCSFEIR-UHFFFAOYSA-N 1 1 592.151 6.265 1 0 KKAFMO CC[NH+]1CCN(c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000169323780 562857174 /nfs/dbraw/zinc/85/71/74/562857174.db2.gz WLXCWEKFTTUUIF-UHFFFAOYSA-N 1 1 586.531 7.099 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(Cl)s1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338652 562860320 /nfs/dbraw/zinc/86/03/20/562860320.db2.gz OEEJRZAZQZJLAB-JFAKZQSWSA-N 1 1 528.114 5.239 1 0 KKAFMO CC(C)c1ccc(-c2nc3c(s2)C[N@H+]([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cc1 ZINC000169343642 562861212 /nfs/dbraw/zinc/86/12/12/562861212.db2.gz FAHHQUTXDREWOP-DNOBIOAJSA-N 1 1 509.626 5.138 1 0 KKAFMO C[C@@H]([N@H+]1CCc2sc(-c3ccc(Cl)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344446 562861334 /nfs/dbraw/zinc/86/13/34/562861334.db2.gz BKWFKRJIKWEUSE-PUAOIOHZSA-N 1 1 501.002 5.273 1 0 KKAFMO CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)[C@@H](C)C[N@H+](C)CC3)ncc1Cl ZINC000169345257 562861567 /nfs/dbraw/zinc/86/15/67/562861567.db2.gz RMBJAPLSOZTGDA-KRWDZBQOSA-N 1 1 500.068 5.391 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(=O)cc2C)cc1F ZINC000169350730 562862956 /nfs/dbraw/zinc/86/29/56/562862956.db2.gz JYBQEMYHVMILOJ-UHFFFAOYSA-N 1 1 707.681 6.401 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](C2CCCC2)C1=O ZINC000169371778 562864807 /nfs/dbraw/zinc/86/48/07/562864807.db2.gz KKFBTFCVHZOBSO-SQHAQQRYSA-N 1 1 502.655 5.258 1 0 KKAFMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000169372566 562864857 /nfs/dbraw/zinc/86/48/57/562864857.db2.gz UCTGXUBCYYWFLY-VSGBNLITSA-N 1 1 524.661 5.310 1 0 KKAFMO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH]c3cc(C(=O)NCC(F)(F)F)c(N4CCC(F)CC4)cc3[nH+]2)c1Cl ZINC000169700879 562867732 /nfs/dbraw/zinc/86/77/32/562867732.db2.gz ZHPHADOBEQQPMO-UHFFFAOYSA-N 1 1 617.475 6.506 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[N@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)C[C@@H]1c1ccccc1 ZINC000169703606 562868860 /nfs/dbraw/zinc/86/88/60/562868860.db2.gz FKKPCVOHLPWGCG-SJHOIFEDSA-N 1 1 561.686 5.413 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[N@@H+](Cc2ccc3cc4c(cc3n2)C[C@@]2(C4)c3cccnc3NC2=O)C[C@@H]1c1ccccc1 ZINC000169703606 562868861 /nfs/dbraw/zinc/86/88/61/562868861.db2.gz FKKPCVOHLPWGCG-SJHOIFEDSA-N 1 1 561.686 5.413 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000195395880 562871731 /nfs/dbraw/zinc/87/17/31/562871731.db2.gz RZZCRJFYHDAULL-HFVNIMEJSA-N 1 1 548.722 6.970 1 0 KKAFMO C[NH+]1CCc2cc(O)c3cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc4c(c2O3)OCO4)CC[N@@H+]1C ZINC000195459515 562871931 /nfs/dbraw/zinc/87/19/31/562871931.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000195459515 562871932 /nfs/dbraw/zinc/87/19/32/562871932.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000195459515 562871933 /nfs/dbraw/zinc/87/19/33/562871933.db2.gz KLAOLTDJIRTAEJ-SXOMAYOGSA-N 1 1 578.665 6.268 1 0 KKAFMO O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(C[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1 ZINC000195969210 562872427 /nfs/dbraw/zinc/87/24/27/562872427.db2.gz MOHLSWKFSCMURH-DHUJRADRSA-N 1 1 675.786 5.167 1 0 KKAFMO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H]([N@H+]1CC[C@H](F)C1)CC2 ZINC000199680623 562873015 /nfs/dbraw/zinc/87/30/15/562873015.db2.gz KWNAEWYQYPOIBQ-RCSBWOJUSA-N 1 1 555.543 5.387 1 0 KKAFMO O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H]([N@H+]1CC[C@H](F)C1)CC2 ZINC000199680596 562873045 /nfs/dbraw/zinc/87/30/45/562873045.db2.gz KWNAEWYQYPOIBQ-DDZLNHKNSA-N 1 1 555.543 5.387 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C[C@H](C)C1 ZINC000199802386 562873118 /nfs/dbraw/zinc/87/31/18/562873118.db2.gz MWNALDOEJJOWMF-PKOBYXMFSA-N 1 1 529.641 5.628 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4nc5ccccc5s4)c3c2)C[C@H](C)C1 ZINC000199802386 562873119 /nfs/dbraw/zinc/87/31/19/562873119.db2.gz MWNALDOEJJOWMF-PKOBYXMFSA-N 1 1 529.641 5.628 1 0 KKAFMO CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000201531402 562873526 /nfs/dbraw/zinc/87/35/26/562873526.db2.gz SZUYKWJBTMCMES-SFHVURJKSA-N 1 1 520.008 6.059 1 0 KKAFMO CCCC(=O)c1cnn(-c2ccc(NC(=O)c3cn(CC(=O)N4CC[NH+](C)CC4)c4ccc(C(F)(F)F)cc34)cc2)c1C ZINC000203555492 562874027 /nfs/dbraw/zinc/87/40/27/562874027.db2.gz VHLIJHNUMGWBJU-UHFFFAOYSA-N 1 1 594.638 5.163 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)ncnc2Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000203685651 562874067 /nfs/dbraw/zinc/87/40/67/562874067.db2.gz FLBNHSJGJQDKOU-UHFFFAOYSA-N 1 1 548.043 5.389 1 0 KKAFMO C[NH+]1CCC(n2cc(Nc3c(C(=O)C(C)(C)C)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)CC1 ZINC000203989094 562874294 /nfs/dbraw/zinc/87/42/94/562874294.db2.gz ZHKQBMMFKGCFLE-UHFFFAOYSA-N 1 1 536.051 6.836 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C)c4[C@@H]4C[C@@H]([N@@H+](C)C(C)C)CCO4)cc2OCC3)n(C(C)C)n1 ZINC000204422849 562874435 /nfs/dbraw/zinc/87/44/35/562874435.db2.gz VVYWQZGWGMFFKQ-CUNXSJBXSA-N 1 1 544.704 5.051 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnc(C)n4[C@H]4CCC[N@H+](C(C)C)C4)cc2OCC3)n(C(C)C)n1 ZINC000204428299 562874519 /nfs/dbraw/zinc/87/45/19/562874519.db2.gz DSQJCJALPOUQLS-QHCPKHFHSA-N 1 1 514.678 5.308 1 0 KKAFMO CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC000219359607 562878138 /nfs/dbraw/zinc/87/81/38/562878138.db2.gz KBMPAIAXPCAIHA-FQEVSTJZSA-N 1 1 534.035 6.272 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221772005 562879223 /nfs/dbraw/zinc/87/92/23/562879223.db2.gz RGWQEKHIOXGCNJ-MOHJPFBDSA-N 1 1 522.674 5.907 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2nnn(-c3ccccc3C(F)(F)F)c2C)cc1F ZINC000222195424 562879796 /nfs/dbraw/zinc/87/97/96/562879796.db2.gz OPZFRGMIMMLJME-UHFFFAOYSA-N 1 1 693.702 6.351 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)SCC(=O)Nc1ccc(Br)cc1 ZINC000222390625 562879808 /nfs/dbraw/zinc/87/98/08/562879808.db2.gz NYQKWDVXXVLEGH-JBENSDGMSA-N 1 1 768.840 8.075 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638457 562882463 /nfs/dbraw/zinc/88/24/63/562882463.db2.gz RCIMAYJLHGXJSS-RVGQZVGJSA-N 1 1 509.137 5.127 1 0 KKAFMO Clc1cc2nc(Cc3ccc(Br)cc3)n(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c2cc1Cl ZINC000299828827 562884634 /nfs/dbraw/zinc/88/46/34/562884634.db2.gz IZXQYYWCCAQUAK-HTAPYJJXSA-N 1 1 507.303 6.961 1 0 KKAFMO CCCCCCOC(=O)CCC(=O)N1CC[NH+](CCCOc2cc3c(cc2OC)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000299831055 562885462 /nfs/dbraw/zinc/88/54/62/562885462.db2.gz XTJSOIZJMFHXET-UHFFFAOYSA-N 1 1 630.161 5.991 1 0 KKAFMO CC(C)(C)c1ccc(NC(=O)c2cn(CCC[NH+]3CCOCC3)c3ccc(C(C)(C)C)cc3c2=O)cc1 ZINC000299834318 562886428 /nfs/dbraw/zinc/88/64/28/562886428.db2.gz LEKUXGLGLJHJRE-UHFFFAOYSA-N 1 1 503.687 5.571 1 0 KKAFMO CC(C)(C)C[N@H+]1CCC[C@H]1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1 ZINC000299835241 562886819 /nfs/dbraw/zinc/88/68/19/562886819.db2.gz WNPYNZDVDUMJBN-HKBQPEDESA-N 1 1 606.786 9.455 1 0 KKAFMO Cc1ccc2c(NS(=O)(=O)c3ccccc3Cl)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000299836231 562887059 /nfs/dbraw/zinc/88/70/59/562887059.db2.gz MXNISZSSQGUZMA-HZCBDIJESA-N 1 1 615.159 6.929 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1F ZINC000299838965 562887996 /nfs/dbraw/zinc/88/79/96/562887996.db2.gz PDIUNUOUUJEXNT-UHFFFAOYSA-N 1 1 675.717 6.227 1 0 KKAFMO CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(C[N@@H+](C)CCc3ccccc3)cc2)c(O)cc1O ZINC000299839339 562888170 /nfs/dbraw/zinc/88/81/70/562888170.db2.gz XVSUNACWJLYZAA-UHFFFAOYSA-N 1 1 525.649 6.566 1 0 KKAFMO CS(=O)(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CC[C@H](NC(=O)c3cccc4ccccc43)CC1)CC2 ZINC000299845543 562889503 /nfs/dbraw/zinc/88/95/03/562889503.db2.gz BQFKTGZILBPMOY-PGWJBFNOSA-N 1 1 504.696 5.023 1 0 KKAFMO CC[N@H+]1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)CC[C@H]2C[C@H]4[C@@H]1[C@H]2OCc1ccccc1 ZINC000299845983 562889587 /nfs/dbraw/zinc/88/95/87/562889587.db2.gz MMQFJHNBGAFZRG-DZDSDNEZSA-N 1 1 527.749 6.075 1 0 KKAFMO O=c1c(-c2ccccc2)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1 ZINC000299854601 562891403 /nfs/dbraw/zinc/89/14/03/562891403.db2.gz ANBNUSDRGUTSIT-UHFFFAOYSA-N 1 1 525.052 5.832 1 0 KKAFMO Cc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(Cl)cc34)CC2)c(=O)n2ccccc12 ZINC000299857640 562892292 /nfs/dbraw/zinc/89/22/92/562892292.db2.gz OFQIAYCTEQQROT-UHFFFAOYSA-N 1 1 539.079 6.141 1 0 KKAFMO COc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(Cl)cc43)CC2)c(=O)n2ccccc12 ZINC000299857663 562892316 /nfs/dbraw/zinc/89/23/16/562892316.db2.gz OMBFGDFIVPUVQV-UHFFFAOYSA-N 1 1 555.078 5.841 1 0 KKAFMO O=c1c(-c2ccccc2F)c2ccccn2c(=O)n1CCCC[N@@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000299858419 562892481 /nfs/dbraw/zinc/89/24/81/562892481.db2.gz RJRFRDSDIKJJQA-UHFFFAOYSA-N 1 1 526.587 5.457 1 0 KKAFMO COc1ccccc1-c1c(=O)n(CCCC[N@@H+]2CC=C(c3c[nH]c4ccc(Br)cc43)CC2)c(=O)n2ccccc12 ZINC000299858801 562892553 /nfs/dbraw/zinc/89/25/53/562892553.db2.gz UJTGIMVZSCWDJZ-UHFFFAOYSA-N 1 1 599.529 5.950 1 0 KKAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc([C@H](C)[NH+]5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C ZINC000299859144 562892597 /nfs/dbraw/zinc/89/25/97/562892597.db2.gz HQCQFKQGMPBYGP-HQXRPOMGSA-N 1 1 534.660 5.537 1 0 KKAFMO Cc1ccc(N(CCC[N@@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2C)C(=O)c2ccc(F)cc2)cc1Cl ZINC000299859464 562892714 /nfs/dbraw/zinc/89/27/14/562892714.db2.gz XTAWWFMNDKGXAZ-JOCHJYFZSA-N 1 1 512.044 6.170 1 0 KKAFMO O=c1ccc2ccc(OCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)cc2o1 ZINC000299863222 562893810 /nfs/dbraw/zinc/89/38/10/562893810.db2.gz OXKYZMPZZYQADV-UHFFFAOYSA-N 1 1 526.681 5.109 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccccc12 ZINC000299869481 562895325 /nfs/dbraw/zinc/89/53/25/562895325.db2.gz USINGHGVMDUYQA-IEFDIXSJSA-N 1 1 573.693 5.172 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870701 562895496 /nfs/dbraw/zinc/89/54/96/562895496.db2.gz WTJKCICBNUJUCD-IEFDIXSJSA-N 1 1 608.138 5.826 1 0 KKAFMO O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870704 562895578 /nfs/dbraw/zinc/89/55/78/562895578.db2.gz WTJKCICBNUJUCD-YCNHBXJWSA-N 1 1 608.138 5.826 1 0 KKAFMO CCCn1ccc(=[NH+]c2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccc(N)cc54)cc3)cc2N)cc1 ZINC000377848924 562896496 /nfs/dbraw/zinc/89/64/96/562896496.db2.gz JWVSSJAMGAPEKH-UHFFFAOYSA-N 1 1 545.691 6.144 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cccc(OC)c2O1 ZINC000473081249 562896619 /nfs/dbraw/zinc/89/66/19/562896619.db2.gz BAGZBXHIYGKWKZ-MHZLTWQESA-N 1 1 558.038 5.413 1 0 KKAFMO COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3[N@@H+](C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085182 562896929 /nfs/dbraw/zinc/89/69/29/562896929.db2.gz VOXGFSUNUJCBDG-FTJBHMTQSA-N 1 1 570.483 7.107 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085277 562896960 /nfs/dbraw/zinc/89/69/60/562896960.db2.gz WIZSLSNPFHOGDJ-NDEPHWFRSA-N 1 1 620.935 6.557 1 0 KKAFMO CN1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH+]ccc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000473087946 562897236 /nfs/dbraw/zinc/89/72/36/562897236.db2.gz GUJKXMUSIYADBM-UHFFFAOYSA-N 1 1 617.146 6.375 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NC(=O)Nc4ccccc4)cc3CC[N@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088053 562897245 /nfs/dbraw/zinc/89/72/45/562897245.db2.gz HQTIHJAAPQTVCG-SSEXGKCCSA-N 1 1 564.686 5.806 1 0 KKAFMO COc1ccc(C[C@@H]2c3ccc(NC(=O)Nc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000473088053 562897246 /nfs/dbraw/zinc/89/72/46/562897246.db2.gz HQTIHJAAPQTVCG-SSEXGKCCSA-N 1 1 564.686 5.806 1 0 KKAFMO Cc1ccn2c(CN3CC[NH+](Cc4c(-c5ccccc5)nc5nc(C)ccn45)CC3)c(-c3ccccc3)nc2n1 ZINC000473091470 562897680 /nfs/dbraw/zinc/89/76/80/562897680.db2.gz YMHMSLZOYPOASI-UHFFFAOYSA-N 1 1 528.664 5.041 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(C(F)(F)F)cc3)c(=O)n2C)cc1F ZINC000473108880 562898437 /nfs/dbraw/zinc/89/84/37/562898437.db2.gz PMXBXUBZBFDFCX-UHFFFAOYSA-N 1 1 722.740 6.260 1 0 KKAFMO COc1cc2oc(-c3cccc(OCCCCCC[N@@H+](C)Cc4ccccc4)c3)cc(=O)c2c(OC)c1OC ZINC000473115927 562899093 /nfs/dbraw/zinc/89/90/93/562899093.db2.gz VUHPTSJKLJDGGT-UHFFFAOYSA-N 1 1 531.649 6.557 1 0 KKAFMO COc1cc2oc(-c3cccc(OCCCC[N@@H+](C)Cc4ccccc4)c3)cc(=O)c2c(OC)c1OC ZINC000473117307 562899189 /nfs/dbraw/zinc/89/91/89/562899189.db2.gz YKTNUNROYNPDRV-UHFFFAOYSA-N 1 1 503.595 5.777 1 0 KKAFMO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(C(=S)NCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473134411 562900515 /nfs/dbraw/zinc/90/05/15/562900515.db2.gz CBCUBJDIPGSPNG-SANMLTNESA-N 1 1 513.629 5.908 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473135418 562900690 /nfs/dbraw/zinc/90/06/90/562900690.db2.gz ICGHMQHSQKDWOL-UHFFFAOYSA-N 1 1 699.748 6.394 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473135418 562900691 /nfs/dbraw/zinc/90/06/91/562900691.db2.gz ICGHMQHSQKDWOL-UHFFFAOYSA-N 1 1 699.748 6.394 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473135557 562900749 /nfs/dbraw/zinc/90/07/49/562900749.db2.gz JNNLOWPEDUXZCE-UHFFFAOYSA-N 1 1 687.859 6.672 1 0 KKAFMO COc1cc2c(cc1OC)C[N@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473135557 562900750 /nfs/dbraw/zinc/90/07/50/562900750.db2.gz JNNLOWPEDUXZCE-UHFFFAOYSA-N 1 1 687.859 6.672 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473135557 562900751 /nfs/dbraw/zinc/90/07/51/562900751.db2.gz JNNLOWPEDUXZCE-UHFFFAOYSA-N 1 1 687.859 6.672 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccccc1C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000473136221 562900939 /nfs/dbraw/zinc/90/09/39/562900939.db2.gz ZNUQOEFQWALHAF-XOSCKEEYSA-N 1 1 501.667 5.049 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccc(OC)cc3)[C@@H]2C1 ZINC000473136637 562901096 /nfs/dbraw/zinc/90/10/96/562901096.db2.gz TWRGSFQMYKPGBO-OUXBUPKRSA-N 1 1 536.701 6.780 1 0 KKAFMO COCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000473147646 562901410 /nfs/dbraw/zinc/90/14/10/562901410.db2.gz FTWLHZZOIPWOOS-IADCTJSHSA-N 1 1 573.591 5.269 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@@H+]5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152113 562901787 /nfs/dbraw/zinc/90/17/87/562901787.db2.gz HUFWBIPWZUHEBJ-IGKWTDBASA-N 1 1 564.126 5.975 1 0 KKAFMO COCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncsc3c2)C(C)C)nn1 ZINC000473165347 562902948 /nfs/dbraw/zinc/90/29/48/562902948.db2.gz BFNJAXKMPJHXHW-DCFHFQCYSA-N 1 1 579.620 5.331 1 0 KKAFMO C[C@@]([NH2+]Cc1ccc2ncsc2c1)(c1cn([C@@H](CCS(C)(=O)=O)C(=O)COc2c(F)c(F)cc(F)c2F)nn1)C1CCCC1 ZINC000473170820 562903213 /nfs/dbraw/zinc/90/32/13/562903213.db2.gz RSSMYFQRFUEXTN-ZTOMLWHTSA-N 1 1 653.724 5.263 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000473179773 562903485 /nfs/dbraw/zinc/90/34/85/562903485.db2.gz WBGAGQYLUBFTDF-STZQEDGTSA-N 1 1 542.507 5.966 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000473179773 562903486 /nfs/dbraw/zinc/90/34/86/562903486.db2.gz WBGAGQYLUBFTDF-STZQEDGTSA-N 1 1 542.507 5.966 1 0 KKAFMO CC[NH+](CC)CCO[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473183237 562903583 /nfs/dbraw/zinc/90/35/83/562903583.db2.gz RGJUUNZYAYLVAA-HZCBDIJESA-N 1 1 544.523 6.620 1 0 KKAFMO CC[N@H+](C)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473183400 562903597 /nfs/dbraw/zinc/90/35/97/562903597.db2.gz ZUASHZYIOMWUQG-IRJFHVNHSA-N 1 1 500.470 6.461 1 0 KKAFMO CC[N@@H+](C)C[C@H]1CC[C@H](Nc2c(C(C)=O)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473183400 562903598 /nfs/dbraw/zinc/90/35/98/562903598.db2.gz ZUASHZYIOMWUQG-IRJFHVNHSA-N 1 1 500.470 6.461 1 0 KKAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CCCC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197772 562903699 /nfs/dbraw/zinc/90/36/99/562903699.db2.gz FEGZQXXZJULZGR-LBZQVFOQSA-N 1 1 540.535 7.241 1 0 KKAFMO O=C([O-])CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C1CCCCCCCCC1 ZINC000473215515 562904148 /nfs/dbraw/zinc/90/41/48/562904148.db2.gz VWFOEDSWDKHSHL-HOSLJWMQSA-N 1 1 520.762 7.099 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCCCCCCC1 ZINC000473215515 562904149 /nfs/dbraw/zinc/90/41/49/562904149.db2.gz VWFOEDSWDKHSHL-HOSLJWMQSA-N 1 1 520.762 7.099 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@@H]1c1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCCCCCC1 ZINC000473215515 562904150 /nfs/dbraw/zinc/90/41/50/562904150.db2.gz VWFOEDSWDKHSHL-HOSLJWMQSA-N 1 1 520.762 7.099 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccccc3)c(=O)n2C)cc1F ZINC000474603785 562905240 /nfs/dbraw/zinc/90/52/40/562905240.db2.gz CVPJDUIWFUECRL-UHFFFAOYSA-N 1 1 641.700 5.326 1 0 KKAFMO CCOC(=O)CCCCCCOc1ccc2c(c1)CC[N@@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608987 562905484 /nfs/dbraw/zinc/90/54/84/562905484.db2.gz NEUPPLFOBVIXPQ-YTTGMZPUSA-N 1 1 602.772 6.055 1 0 KKAFMO CCOC(=O)CCCCCCOc1ccc2c(c1)CC[N@H+](CC(=O)NCc1ccccc1)[C@H]2Cc1ccc(OC)c(OC)c1 ZINC000474608987 562905485 /nfs/dbraw/zinc/90/54/85/562905485.db2.gz NEUPPLFOBVIXPQ-YTTGMZPUSA-N 1 1 602.772 6.055 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(C)n(-c3ccc(F)c(F)c3)c(=O)n2C)cc1F ZINC000474609646 562905581 /nfs/dbraw/zinc/90/55/81/562905581.db2.gz RWEHIWZVWCPBHB-UHFFFAOYSA-N 1 1 677.680 5.604 1 0 KKAFMO Fc1cccc(COc2ccc([NH+]=C3NC=N[C@H]4C=C(c5cccc(N6CCOCC6)c5)S[C@H]34)cc2Cl)c1 ZINC000474609924 562905778 /nfs/dbraw/zinc/90/57/78/562905778.db2.gz XISMJZPTIYZMMN-LSYYVWMOSA-N 1 1 549.071 6.272 1 0 KKAFMO COc1ccc(-c2nc(CN3CC[NH+](Cc4cc5c6ccccc6n(C)c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4n(C)c32)cc1 ZINC000653710257 562908105 /nfs/dbraw/zinc/90/81/05/562908105.db2.gz HWEIOHCNEKWZBS-UHFFFAOYSA-N 1 1 686.860 8.435 1 0 KKAFMO c1ccc(Cn2c3ccccc3c3cc(CN4CC[NH+](Cc5cc6c7ccccc7n(Cc7ccccc7)c6cn5)CC4)ncc32)cc1 ZINC000653714828 562908438 /nfs/dbraw/zinc/90/84/38/562908438.db2.gz SINPUEZWMDEARX-UHFFFAOYSA-N 1 1 626.808 8.107 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3cc(COc4cccc5cccnc54)nn3)cc1)CC2 ZINC000653719086 562908673 /nfs/dbraw/zinc/90/86/73/562908673.db2.gz JLTUAKAHAAACPD-UHFFFAOYSA-N 1 1 521.621 5.013 1 0 KKAFMO Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(N2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000653725361 562909043 /nfs/dbraw/zinc/90/90/43/562909043.db2.gz IILKKEJGEAWNLW-UHFFFAOYSA-N 1 1 514.555 5.626 1 0 KKAFMO CCCOc1cc(OCCCCCC[NH3+])cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1 ZINC000653727967 562909275 /nfs/dbraw/zinc/90/92/75/562909275.db2.gz CKWMQEHOKHQQEY-UHFFFAOYSA-N 1 1 642.775 5.174 1 0 KKAFMO CCOC(=O)c1c(-c2ccccc2)cn2c1c(-c1ccc(C[NH+]3CCC(c4nc5ccc(F)cc5[nH]4)CC3)cc1)nc1ccccc12 ZINC000653729596 562909405 /nfs/dbraw/zinc/90/94/05/562909405.db2.gz OXWJQPZKMJPLPM-UHFFFAOYSA-N 1 1 623.732 8.393 1 0 KKAFMO CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000653745144 562910330 /nfs/dbraw/zinc/91/03/30/562910330.db2.gz PNNSALNUDQAFTJ-UHFFFAOYSA-N 1 1 617.168 10.041 1 0 KKAFMO Cc1ccc2occ(CN(C)CC[N@@H+](C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2c1 ZINC000653786029 562912404 /nfs/dbraw/zinc/91/24/04/562912404.db2.gz WWKLYGMPPWLCEC-UHFFFAOYSA-N 1 1 533.594 6.628 1 0 KKAFMO COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C[NH+]5CCN(C)CC5)cc4)cc32)cc1Cl ZINC000653792950 562912764 /nfs/dbraw/zinc/91/27/64/562912764.db2.gz GMCUDVAXOWQRGR-UHFFFAOYSA-N 1 1 532.048 5.427 1 0 KKAFMO CN1CC[NH+](Cc2ccc(NC(=O)Nc3ccc4ncnc(Nc5cccc(C(F)(F)F)c5)c4c3)cc2)CC1 ZINC000653793021 562912785 /nfs/dbraw/zinc/91/27/85/562912785.db2.gz WAITURAKXSMTEB-UHFFFAOYSA-N 1 1 535.574 5.784 1 0 KKAFMO Cn1c(SCCC[N@@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 ZINC000653799685 562913368 /nfs/dbraw/zinc/91/33/68/562913368.db2.gz PMZOPKCHYGDQPO-JOCHJYFZSA-N 1 1 529.588 5.712 1 0 KKAFMO Cn1c(SCCC[N@H+]2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)nnc1-c1ccc(-c2ncco2)cc1 ZINC000653799685 562913369 /nfs/dbraw/zinc/91/33/69/562913369.db2.gz PMZOPKCHYGDQPO-JOCHJYFZSA-N 1 1 529.588 5.712 1 0 KKAFMO Cc1[nH+]c2cc(Nc3nc(Nc4ccc(F)cc4)nc(-c4ccc(Cl)cc4)n3)ccc2n1Cc1ccccc1 ZINC000653803564 562913527 /nfs/dbraw/zinc/91/35/27/562913527.db2.gz BIPAKNCFINWKKL-UHFFFAOYSA-N 1 1 536.014 7.525 1 0 KKAFMO C[N@@H+](CCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830184 562914536 /nfs/dbraw/zinc/91/45/36/562914536.db2.gz AIQDEPYUQBAQFT-UHFFFAOYSA-N 1 1 604.747 7.862 1 0 KKAFMO C[N@@H+](CCCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1 ZINC000653830247 562914548 /nfs/dbraw/zinc/91/45/48/562914548.db2.gz XLSDMIVWGMAJHD-UHFFFAOYSA-N 1 1 639.192 8.516 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c([O-])c(OC)cc3cc[n+](C)c(c31)C2 ZINC000085506031 565130361 /nfs/dbraw/zinc/13/03/61/565130361.db2.gz JBCHKQLKJGBYDT-MUUNZHRXSA-O 1 1 605.711 6.656 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c([O-])c(OC)cc3cc[n+](C)c(c31)C2 ZINC000085506031 565130366 /nfs/dbraw/zinc/13/03/66/565130366.db2.gz JBCHKQLKJGBYDT-MUUNZHRXSA-O 1 1 605.711 6.656 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3[N@@H+](C)CC2)CCN1C ZINC000085508975 565133021 /nfs/dbraw/zinc/13/30/21/565133021.db2.gz DPLLCJFNXPKFPB-URLMMPGGSA-N 1 1 620.746 7.046 1 0 biogenic,in-vitro KKAFMO COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](OCCc2cc[nH+]c(N)c2)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592936 565148989 /nfs/dbraw/zinc/14/89/89/565148989.db2.gz OXBIHWBHMCUCLH-RBUHJZQESA-N 1 1 604.744 5.840 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CC[N@H+]1C ZINC000085849252 565170495 /nfs/dbraw/zinc/17/04/95/565170495.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CC[N@@H+]1C ZINC000085849252 565170501 /nfs/dbraw/zinc/17/05/01/565170501.db2.gz KTAONUHTYCZKBS-FQLXRVMXSA-N 1 1 608.735 6.859 1 0 biogenic,in-vitro KKAFMO COc1cc2c(cc1O)[C@H]1CN(C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[N@H+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173561 /nfs/dbraw/zinc/17/35/61/565173561.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 1 1 636.789 6.169 1 0 biogenic,in-vitro KKAFMO COc1cc2c(cc1O)[C@H]1CN(C)[C@@H]2c2cc(OC)c(OC)c(Cc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4Cc3ccc(O)cc3)c2C1 ZINC000095485889 565173566 /nfs/dbraw/zinc/17/35/66/565173566.db2.gz MPVKUZABYUVRAI-NSQYKDBYSA-N 1 1 636.789 6.169 1 0 biogenic,in-vitro KKAFMO COc1cc(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc3ccccc3c2)Cc2ccc(O)c(OC[NH2+]C[C@H](C)O)c2)ccc1O ZINC000085632319 291970498 /nfs/dbraw/zinc/97/04/98/291970498.db2.gz KEWMGYJJTOEJMD-NEKZFRCMSA-N 1 1 665.807 5.503 1 0 biogenic,in-vitro KKAFMO COc1ccc2c(c1)[C@H](OCCc1cc[nH+]c(N)c1)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592982 291980562 /nfs/dbraw/zinc/98/05/62/291980562.db2.gz FHUQDOOVIMLMEI-KPLXGGORSA-N 1 1 532.637 5.045 1 0 biogenic,in-vitro KKAFMO CC(C)[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)Cc1ccccc1 ZINC000003042239 561681471 /nfs/dbraw/zinc/68/14/71/561681471.db2.gz ONDNVZRUMABNQX-UHFFFAOYSA-N 1 1 540.104 6.149 1 0 KKAFMO COc1ccc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3ccoc3C(C)C)cc2)cc1OC ZINC000003787682 561682434 /nfs/dbraw/zinc/68/24/34/561682434.db2.gz NUNWHRUPOCOTJZ-UHFFFAOYSA-N 1 1 501.645 5.196 1 0 KKAFMO COc1cc(CC[N@@H+](C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC ZINC000003915038 561684650 /nfs/dbraw/zinc/68/46/50/561684650.db2.gz GJEPQFFTPWRSOJ-UHFFFAOYSA-N 1 1 580.747 5.865 1 0 KKAFMO CC(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C ZINC000003931507 561687519 /nfs/dbraw/zinc/68/75/19/561687519.db2.gz ORBIOMYKKPXZOT-VMPREFPWSA-N 1 1 523.762 5.600 1 0 KKAFMO CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c3c2)o1 ZINC000002007399 561680508 /nfs/dbraw/zinc/68/05/08/561680508.db2.gz PMNXVLOADVXDDY-UHFFFAOYSA-N 1 1 528.634 5.347 1 0 KKAFMO COc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000003956206 561690901 /nfs/dbraw/zinc/69/09/01/561690901.db2.gz DWXZKZCKLAHOOY-QHCPKHFHSA-N 1 1 500.483 5.861 1 0 KKAFMO 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)CNC(=O)OC(C)(C)C ZINC000004995243 561695547 /nfs/dbraw/zinc/69/55/47/561695547.db2.gz AVDIGXKFDNTSGD-LKFSIGMXSA-N 1 1 637.818 5.707 1 0 KKAFMO C[NH+]1CCc2cc(O)c3cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CC[N@@H+]1C ZINC000005888491 561699944 /nfs/dbraw/zinc/69/99/44/561699944.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(O)cc2CC[N@H+]1C)O4)OCO3 ZINC000005888491 561699945 /nfs/dbraw/zinc/69/99/45/561699945.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 1 1 578.665 6.268 1 0 KKAFMO CN1CCc2cc3c(c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(O)cc2CC[N@@H+]1C)O4)OCO3 ZINC000005888491 561699947 /nfs/dbraw/zinc/69/99/47/561699947.db2.gz KLAOLTDJIRTAEJ-RRPNLBNLSA-N 1 1 578.665 6.268 1 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(C(F)(F)F)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585240 561705874 /nfs/dbraw/zinc/70/58/74/561705874.db2.gz GILJITCPTQRDDJ-BIDWXGPBSA-N 1 1 603.084 8.229 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](CC2CCCCC2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586095 561705930 /nfs/dbraw/zinc/70/59/30/561705930.db2.gz FPLVWQKJWBMJCK-BIDWXGPBSA-N 1 1 541.135 7.590 3 0 KKAFMO COC(=O)c1ccc(C23CC4(C2)[C@H](C[N@@H+](Cc2ccc(-c5ccccc5)cc2)[C@@H]4c2ccccc2)[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586115 561705971 /nfs/dbraw/zinc/70/59/71/561705971.db2.gz VDADFPWGIVKDSN-OXVBVIIPSA-N 1 1 611.185 8.877 3 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2 ZINC000013781690 561729468 /nfs/dbraw/zinc/72/94/68/561729468.db2.gz QQVFLDPVNBJVOR-GDLZYMKVSA-N 1 1 540.770 6.027 1 0 KKAFMO COc1cc(OC)c([C@H](CC[NH+]2CCOCC2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000013813931 561732015 /nfs/dbraw/zinc/73/20/15/561732015.db2.gz VGVZYDZLIPELFD-RUZDIDTESA-N 1 1 528.649 5.397 3 0 KKAFMO O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)[N@H+]3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013860003 561734448 /nfs/dbraw/zinc/73/44/48/561734448.db2.gz RHNOFZVTGNOXAN-ZTFYXODMSA-N 1 1 527.668 7.009 1 0 KKAFMO COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2[nH]cc[nH+]2)c1Cl ZINC000014963223 561748988 /nfs/dbraw/zinc/74/89/88/561748988.db2.gz IMKBPDVOEPDKGC-UHFFFAOYSA-N 1 1 565.870 5.976 1 0 KKAFMO COc1cc(OC)c([C@H](CC[N@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545685 561755849 /nfs/dbraw/zinc/75/58/49/561755849.db2.gz DIIOKAPUKRNPAJ-YIXXDRMTSA-N 1 1 540.704 6.797 3 0 KKAFMO COc1cc(OC)c([C@@H](CC[N@H+]2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2oc(=O)cc(-c3ccccc3)c12 ZINC000017545682 561755909 /nfs/dbraw/zinc/75/59/09/561755909.db2.gz DIIOKAPUKRNPAJ-KCWPFWIISA-N 1 1 540.704 6.797 3 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017654042 561757235 /nfs/dbraw/zinc/75/72/35/561757235.db2.gz ZTMNNQKTIOUXNE-ORKTZOGASA-N 1 1 577.612 9.413 1 0 KKAFMO COc1ccc([C@H](CC[NH+]2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(OC)cc2)cc1 ZINC000017655107 561757927 /nfs/dbraw/zinc/75/79/27/561757927.db2.gz PBFJDRPERMLIIX-UIOOFZCWSA-N 1 1 547.648 5.016 1 0 KKAFMO Fc1ccc(C(OCC[N@H+]2CC[C@H]3CC[C@@H](C2)N3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000019365805 561758460 /nfs/dbraw/zinc/75/84/60/561758460.db2.gz XUZRYWIVJZMYFM-WDYNHAJCSA-N 1 1 501.621 6.291 1 0 KKAFMO Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000019365805 561758462 /nfs/dbraw/zinc/75/84/62/561758462.db2.gz XUZRYWIVJZMYFM-WDYNHAJCSA-N 1 1 501.621 6.291 1 0 KKAFMO Fc1ccc(C(OCCN2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2cc3ccccc3[nH]2)c2ccc(F)cc2)cc1 ZINC000019365805 561758464 /nfs/dbraw/zinc/75/84/64/561758464.db2.gz XUZRYWIVJZMYFM-WDYNHAJCSA-N 1 1 501.621 6.291 1 0 KKAFMO C[NH+]1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC(C)(C)C)nc3n2)CC1 ZINC000021289517 561758806 /nfs/dbraw/zinc/75/88/06/561758806.db2.gz BUUXCZKMEAGSSK-UHFFFAOYSA-N 1 1 559.546 5.358 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)NC4CCCCC4)nc3n2)CC1 ZINC000021289430 561758814 /nfs/dbraw/zinc/75/88/14/561758814.db2.gz CLVSAAPONJRSGJ-UHFFFAOYSA-N 1 1 571.557 5.502 1 0 KKAFMO O[C@@H](CCN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000022032967 561758893 /nfs/dbraw/zinc/75/88/93/561758893.db2.gz DEEUPPNPQSCODX-MHZLTWQESA-N 1 1 509.488 5.296 1 0 KKAFMO C[NH+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6ccccc6)cc5)c4c3)o2)CC1 ZINC000022446407 561759108 /nfs/dbraw/zinc/75/91/08/561759108.db2.gz ZBPYXLDIAWFMKL-UHFFFAOYSA-N 1 1 505.622 5.960 1 0 KKAFMO CN1CC[NH+](Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6ccccc6)cc5)c4c3)o2)CC1 ZINC000022446407 561759110 /nfs/dbraw/zinc/75/91/10/561759110.db2.gz ZBPYXLDIAWFMKL-UHFFFAOYSA-N 1 1 505.622 5.960 1 0 KKAFMO FC(F)(F)c1cc(COC[C@H](c2ccccc2)[NH+]2CCN(Cc3ccccn3)CC2)cc(C(F)(F)F)c1 ZINC000022926999 561759715 /nfs/dbraw/zinc/75/97/15/561759715.db2.gz CUTMHNXVJPFDHF-RUZDIDTESA-N 1 1 523.521 6.195 1 0 KKAFMO Cc1c(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)sc1CN1CC[NH+](C)CC1 ZINC000023359290 561762211 /nfs/dbraw/zinc/76/22/11/561762211.db2.gz XNZLOUVGIOARBF-UHFFFAOYSA-N 1 1 551.927 6.269 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC([N@H+]2CCN([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 ZINC000026182406 561771937 /nfs/dbraw/zinc/77/19/37/561771937.db2.gz KCBPRDRJOWCGOP-SVBPBHIXSA-N 1 1 544.183 6.920 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@@H+]([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 ZINC000026182406 561771939 /nfs/dbraw/zinc/77/19/39/561771939.db2.gz KCBPRDRJOWCGOP-SVBPBHIXSA-N 1 1 544.183 6.920 1 0 KKAFMO Cc1cccc(C)c1C(=O)N1CCC(N2CC[N@H+]([C@@H](C)c3ccc(Cc4cccc(Cl)c4)cc3)[C@@H](C)C2)CC1 ZINC000026182406 561771941 /nfs/dbraw/zinc/77/19/41/561771941.db2.gz KCBPRDRJOWCGOP-SVBPBHIXSA-N 1 1 544.183 6.920 1 0 KKAFMO CCCC(=O)Nc1ccc(-c2cc3n(c2C[N@@H+](C)CCc2ccccn2)c(=O)c(C(=O)OC(CC)CC)cn3Cc2ccccc2F)cc1 ZINC000026272149 561777442 /nfs/dbraw/zinc/77/74/42/561777442.db2.gz FYVPNPLKRVWBFI-UHFFFAOYSA-N 1 1 665.810 7.109 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000026273498 561777623 /nfs/dbraw/zinc/77/76/23/561777623.db2.gz MAWFLIXGSFCFQL-SSEXGKCCSA-N 1 1 559.694 8.363 1 0 KKAFMO CCCc1c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCC(N5C(=O)OCc6ccccc65)CC4)c(OC)c3)CC2)ccc[n+]1[O-] ZINC000026281199 561778996 /nfs/dbraw/zinc/77/89/96/561778996.db2.gz ZFXYABBFSXSNNG-UHFFFAOYSA-N 1 1 614.743 5.086 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@H+](C)Cc3ccccc3)n2c1=O ZINC000026287835 561780087 /nfs/dbraw/zinc/78/00/87/561780087.db2.gz KHLIIQUWXQWLKD-UHFFFAOYSA-N 1 1 651.783 6.922 1 0 KKAFMO CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2nc(-c3ccc(NC(=O)C(C)C)cc3)c(C[N@@H+](C)Cc3ccccc3)n2c1=O ZINC000026287835 561780088 /nfs/dbraw/zinc/78/00/88/561780088.db2.gz KHLIIQUWXQWLKD-UHFFFAOYSA-N 1 1 651.783 6.922 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCCCCCNc1cc[nH+]c2cc(Cl)ccc12)Cc1ccccc1 ZINC000026488291 561792919 /nfs/dbraw/zinc/79/29/19/561792919.db2.gz GDNLJZRJGMOUGG-UHFFFAOYSA-N 1 1 558.147 7.905 1 0 KKAFMO COc1ccccc1N1CC[NH+](CCCCc2ccc3c(c2)COC(=O)N3CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000026573916 561798729 /nfs/dbraw/zinc/79/87/29/561798729.db2.gz WIUSLLLTFQPYHM-UHFFFAOYSA-N 1 1 628.789 6.031 1 0 KKAFMO C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)[NH2+]1 ZINC000026577733 561802226 /nfs/dbraw/zinc/80/22/26/561802226.db2.gz AWGCWPDDAIECKI-ZIAGYGMSSA-N 1 1 558.156 6.154 1 0 KKAFMO C[N@@H+](Cc1ccccc1)C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578545 561803578 /nfs/dbraw/zinc/80/35/78/561803578.db2.gz GUOKNTMJTLPMSI-RUZDIDTESA-N 1 1 557.587 6.420 1 0 KKAFMO C[N@H+](Cc1ccccc1)C[C@@H](CCN1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026578545 561803580 /nfs/dbraw/zinc/80/35/80/561803580.db2.gz GUOKNTMJTLPMSI-RUZDIDTESA-N 1 1 557.587 6.420 1 0 KKAFMO CCN(C[C@@H](CC[NH+]1CCC2(CS(=O)(=O)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000026578916 561803928 /nfs/dbraw/zinc/80/39/28/561803928.db2.gz QLWQXUNYTZTCEO-XMMPIXPASA-N 1 1 621.652 5.999 1 0 KKAFMO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000026716258 561814160 /nfs/dbraw/zinc/81/41/60/561814160.db2.gz AGPJNLXSJLVUTM-IBGZPJMESA-N 1 1 513.088 5.497 1 0 KKAFMO O=C(C[NH+]1CCCCC1)Nc1cc(COC(=O)c2ccccc2)cc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000026721765 561815316 /nfs/dbraw/zinc/81/53/16/561815316.db2.gz WKFUGSCWMWHPNQ-UHFFFAOYSA-N 1 1 529.040 6.413 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823467 561821474 /nfs/dbraw/zinc/82/14/74/561821474.db2.gz WUHUVZJYMLYIBB-OJDZSJEKSA-N 1 1 518.742 5.585 1 0 KKAFMO C[N@@H+](CCCN1C(=S)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000026836384 561824484 /nfs/dbraw/zinc/82/44/84/561824484.db2.gz UMIAUEYAPOVSMU-NDEPHWFRSA-N 1 1 558.810 6.492 1 0 KKAFMO CCC[N@@H+](CCc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1)[C@@H]1CCc2c(O)cccc2C1 ZINC000026965642 561829894 /nfs/dbraw/zinc/82/98/94/561829894.db2.gz GUYDMNDOMIQYML-GDLZYMKVSA-N 1 1 713.856 7.992 1 0 KKAFMO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[N@H+]1CCC[C@H]1COc1ccc(C=C3SC(=O)NC3=O)cc1)O2 ZINC000026988059 561832128 /nfs/dbraw/zinc/83/21/28/561832128.db2.gz YZKDSEWVOOJDTJ-ZNWXTPNYSA-N 1 1 522.667 5.268 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996444 561833220 /nfs/dbraw/zinc/83/32/20/561833220.db2.gz AAUOKFRTADXFAI-NOWQQFBNSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996444 561833223 /nfs/dbraw/zinc/83/32/23/561833223.db2.gz AAUOKFRTADXFAI-NOWQQFBNSA-N 1 1 707.941 6.224 1 0 KKAFMO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc21)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998182 561833730 /nfs/dbraw/zinc/83/37/30/561833730.db2.gz QDLKZCSBLHDQJF-JPWVNMMBSA-N 1 1 703.994 6.716 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1c4nc(-c5ccccc5)nc(-c5ccccc5)c4C[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000027108133 561840741 /nfs/dbraw/zinc/84/07/41/561840741.db2.gz SRMUVNYIIOIOPC-URFQBADOSA-N 1 1 529.640 5.215 1 0 KKAFMO CC[C@H](C[C@H](CC[NH+]1CCC(N(CC)C(=O)OCc2ccccc2)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027110091 561841428 /nfs/dbraw/zinc/84/14/28/561841428.db2.gz LOLWRZCPZJOLKK-XDFJSJKPSA-N 1 1 576.803 6.926 1 0 KKAFMO Cc1c[nH+]c(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc1NC[C@H]1CCCO1 ZINC000027193056 561843885 /nfs/dbraw/zinc/84/38/85/561843885.db2.gz NMYAIEGIYTUKQX-WJOKGBTCSA-N 1 1 635.853 7.759 1 0 KKAFMO C=C1[NH2+]C(=C)C(C(=O)OCC)[C@H](c2cccc(NC(=O)NCCCN3CCN(c4ccc(Cl)cc4)CC3)c2)C1C(=O)OC ZINC000027209307 561846637 /nfs/dbraw/zinc/84/66/37/561846637.db2.gz KPMCWTJACSWVKC-OOVLPZSHSA-N 1 1 610.155 5.485 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccc(Br)cc1 ZINC000027209368 561846794 /nfs/dbraw/zinc/84/67/94/561846794.db2.gz VTLTXYQXSCPKFW-ICYKMPLBSA-N 1 1 584.501 6.861 1 0 KKAFMO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCCCc1ccccc1 ZINC000027209484 561846798 /nfs/dbraw/zinc/84/67/98/561846798.db2.gz RBCQCVSMIQCOMN-XFBWMNOSSA-N 1 1 533.659 6.878 1 0 KKAFMO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[N@H+]2CCCc1ccc(Br)cc1 ZINC000027209370 561846853 /nfs/dbraw/zinc/84/68/53/561846853.db2.gz VTLTXYQXSCPKFW-CRNKYVSFSA-N 1 1 584.501 6.861 1 0 KKAFMO COc1cc2c(cc1OCCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@@H+]1C2 ZINC000027306433 561849732 /nfs/dbraw/zinc/84/97/32/561849732.db2.gz QJQCMSZFVHZDGQ-AWCRTANDSA-N 1 1 665.791 5.628 1 0 KKAFMO COc1cc2c(cc1OCCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCC[N@H+]1C2 ZINC000027306433 561849734 /nfs/dbraw/zinc/84/97/34/561849734.db2.gz QJQCMSZFVHZDGQ-AWCRTANDSA-N 1 1 665.791 5.628 1 0 KKAFMO C[N@@H+](CCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)CC1(SN=O)CCCCC1 ZINC000027323708 561853067 /nfs/dbraw/zinc/85/30/67/561853067.db2.gz LVBUIZBIXJEOSS-UHFFFAOYSA-N 1 1 552.568 8.042 1 0 KKAFMO CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(C[N@@H+](C)CCc3ccccn3)n2c1=O ZINC000027326126 561853715 /nfs/dbraw/zinc/85/37/15/561853715.db2.gz JWRZHINGGASFEC-UHFFFAOYSA-N 1 1 650.799 6.293 1 0 KKAFMO C[C@@H](c1c[nH]c2ccccc21)[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2Cl)OCO3)C1)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC000027421194 561857635 /nfs/dbraw/zinc/85/76/35/561857635.db2.gz XWGIRFFCAHGQSB-FLTDCMPJSA-N 1 1 682.262 5.006 1 0 KKAFMO O[C@H](COc1cccc2c1ccnc2Sc1ccccc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027518656 561862534 /nfs/dbraw/zinc/86/25/34/561862534.db2.gz CHVBRBCMRRHUFT-LJAQVGFWSA-N 1 1 561.751 6.533 1 0 KKAFMO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)C[C@@H]1C ZINC000027518853 561862656 /nfs/dbraw/zinc/86/26/56/561862656.db2.gz JWRNDENHFBRQCM-ROUUACIJSA-N 1 1 559.460 5.408 1 0 KKAFMO O[C@@H](CSc1ncnc2[nH]cnc21)C[NH+]1CCN(C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)CC1 ZINC000027519784 561863308 /nfs/dbraw/zinc/86/33/08/561863308.db2.gz BMCNIFMHVQTIKB-QGZVFWFLSA-N 1 1 598.387 5.827 1 0 KKAFMO COC(=O)N1CC[NH+]([C@@H]2Cc3ccc(NC(=O)c4cccc(C)c4-c4ccc(C(F)(F)F)cc4)cc3C2)CC1 ZINC000027525348 561866015 /nfs/dbraw/zinc/86/60/15/561866015.db2.gz NGBACBJFDKYOER-RUZDIDTESA-N 1 1 537.582 5.784 1 0 KKAFMO COC(=O)C1=C(C)N=C(C)N(CCCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547765 561867234 /nfs/dbraw/zinc/86/72/34/561867234.db2.gz AOIKUDXNCODUKV-GDLZYMKVSA-N 1 1 540.655 5.188 1 0 KKAFMO O=C(Nc1ccc(CCCc2c(CO)c(CO)c3n2CCC3)cc1)c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000027548810 561867451 /nfs/dbraw/zinc/86/74/51/561867451.db2.gz LGEMAICKYDUBMZ-UHFFFAOYSA-N 1 1 546.671 6.138 1 0 KKAFMO C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CC[NH+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734802 561881760 /nfs/dbraw/zinc/88/17/60/561881760.db2.gz GVPPLEUEJYSEOK-HXUWFJFHSA-N 1 1 632.564 5.647 1 0 KKAFMO Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCC[N@@H+](CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1 ZINC000027739670 561882369 /nfs/dbraw/zinc/88/23/69/561882369.db2.gz PWOQHTKOSWRHKO-XMMPIXPASA-N 1 1 591.728 5.039 1 0 KKAFMO Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1 ZINC000027873313 561888426 /nfs/dbraw/zinc/88/84/26/561888426.db2.gz ATQAKLGDHJQRTO-SXOMAYOGSA-N 1 1 559.776 5.508 1 0 KKAFMO Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CC[N@H+](C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1 ZINC000027873313 561888427 /nfs/dbraw/zinc/88/84/27/561888427.db2.gz ATQAKLGDHJQRTO-SXOMAYOGSA-N 1 1 559.776 5.508 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3[nH]c(CO)nc3c2)c1 ZINC000027899013 561890686 /nfs/dbraw/zinc/89/06/86/561890686.db2.gz XJADYTYHZGFVJS-WPCLDFDBSA-N 1 1 631.865 7.435 1 0 KKAFMO Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)C[NH2+]CCc2ccc3nc[nH]c3c2)c1 ZINC000027982096 561891843 /nfs/dbraw/zinc/89/18/43/561891843.db2.gz ZURGVSINFPSAAI-WPCLDFDBSA-N 1 1 601.839 7.942 1 0 KKAFMO C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CNc1ccc([NH+]2CCCCC2)cc1 ZINC000028001285 561894766 /nfs/dbraw/zinc/89/47/66/561894766.db2.gz PUVIOAPORHOQCE-IRPSRAIASA-N 1 1 528.697 5.521 1 0 KKAFMO CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017729 561897722 /nfs/dbraw/zinc/89/77/22/561897722.db2.gz BUHHUODYGDXLAO-XXSKFNENSA-N 1 1 642.860 7.103 1 0 KKAFMO CCc1cc(CCc2ccccc2)n(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1 ZINC000028009262 561896071 /nfs/dbraw/zinc/89/60/71/561896071.db2.gz QCJIDJDKLOGYDO-BTLFPPEZSA-N 1 1 582.833 6.617 1 0 KKAFMO CCn1nc(-c2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028010804 561896375 /nfs/dbraw/zinc/89/63/75/561896375.db2.gz KJLMBMNGYISETQ-BEJSXWRTSA-N 1 1 554.779 6.499 1 0 KKAFMO CCCCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028011905 561896526 /nfs/dbraw/zinc/89/65/26/561896526.db2.gz XKTMBPJXKQPVLC-CVZYHWGHSA-N 1 1 596.860 7.203 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028015158 561897101 /nfs/dbraw/zinc/89/71/01/561897101.db2.gz MXCQYIXLBGSZRW-LWKLBADKSA-N 1 1 568.806 6.422 1 0 KKAFMO CCn1nc(Cc2ccccc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@](C)(C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016658 561897490 /nfs/dbraw/zinc/89/74/90/561897490.db2.gz VNPRRWYEJITHNB-HWCFGDHISA-N 1 1 560.758 6.027 1 0 KKAFMO O=C([O-])[C@@H](C1CCCCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3n[nH]cc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1 ZINC000028019641 561898152 /nfs/dbraw/zinc/89/81/52/561898152.db2.gz GJXUXVVFUGSMMQ-JUERCWOXSA-N 1 1 566.790 6.418 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2OC)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028020660 561898455 /nfs/dbraw/zinc/89/84/55/561898455.db2.gz IBYSMUQVMPGPNX-HKBQPEDESA-N 1 1 566.720 5.822 1 0 KKAFMO CCn1nc(Cc2cccc(F)c2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028088086 561899381 /nfs/dbraw/zinc/89/93/81/561899381.db2.gz MZQIEEBUCHJUJU-NNYJQHGCSA-N 1 1 564.721 5.776 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4ccc(OCC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028087293 561899414 /nfs/dbraw/zinc/89/94/14/561899414.db2.gz BYGHXMKCHHHFAS-RKCOTYCJSA-N 1 1 658.781 6.968 1 0 KKAFMO CCn1nc(Cc2cccc3ccccc32)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092389 561900124 /nfs/dbraw/zinc/90/01/24/561900124.db2.gz WAFABTWJGIOLMS-JYIZODLMSA-N 1 1 610.818 7.180 1 0 KKAFMO CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1C[C@H](C[NH+]2CCC(c3cc(Cc4cccc5ccccc54)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028100447 561901549 /nfs/dbraw/zinc/90/15/49/561901549.db2.gz JMOOJQQUXGNGBN-ZJYLSAKPSA-N 1 1 610.818 7.180 1 0 KKAFMO CCc1cn2ccccc2c1S(=O)(=O)c1ccc(OCCC[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000028105098 561902177 /nfs/dbraw/zinc/90/21/77/561902177.db2.gz WAPWAAXGLQLAKH-UHFFFAOYSA-N 1 1 536.694 5.295 1 0 KKAFMO CN(C(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CC[N@@H+](CCCc3ccc(Cl)cc3)C2)C1 ZINC000028128408 561905294 /nfs/dbraw/zinc/90/52/94/561905294.db2.gz JTXBXFTVOCSXTB-CONSDPRKSA-N 1 1 574.169 6.304 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc4cccnc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028131199 561905675 /nfs/dbraw/zinc/90/56/75/561905675.db2.gz RDSIIPUBKKQZFV-QFQXNSOFSA-N 1 1 512.481 5.726 1 0 KKAFMO CO[C@@H]1C[N@H+](C2CCN(C(=O)c3nccc4ccccc43)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000028134839 561906464 /nfs/dbraw/zinc/90/64/64/561906464.db2.gz NRRVTSCGKUQBLL-QFQXNSOFSA-N 1 1 512.481 5.726 1 0 KKAFMO CN(C(=O)N1CC[C@@H](N2Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3C2=O)C1)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000028136728 561906713 /nfs/dbraw/zinc/90/67/13/561906713.db2.gz TYCHPBQYNABPSC-LOYHVIPDSA-N 1 1 590.690 6.161 1 0 KKAFMO CCCC[N@H+]1CC[C@@H](N(C)C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C2)C1 ZINC000028137368 561906968 /nfs/dbraw/zinc/90/69/68/561906968.db2.gz UTAPFVCSIYSFAD-CLJLJLNGSA-N 1 1 530.635 5.445 1 0 KKAFMO CC(C)ONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028240848 561910392 /nfs/dbraw/zinc/91/03/92/561910392.db2.gz KEINCOUPCJLBLZ-UHFFFAOYSA-N 1 1 695.792 7.301 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(CC(C)C)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028242179 561910495 /nfs/dbraw/zinc/91/04/95/561910495.db2.gz OGNOFGYQGNFIMU-UHFFFAOYSA-N 1 1 589.708 6.515 1 0 KKAFMO COc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2OC)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028247929 561910864 /nfs/dbraw/zinc/91/08/64/561910864.db2.gz LPPWHYRLXJRBKM-UHFFFAOYSA-N 1 1 639.724 6.857 1 0 KKAFMO Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCC[N@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)cc2)cc1 ZINC000028371227 561918351 /nfs/dbraw/zinc/91/83/51/561918351.db2.gz VKHAZLNFXPDJLK-WRSOAMKZSA-N 1 1 529.702 6.954 1 0 KKAFMO COc1cc2c(cc1OCCCOc1ccc(-c3nc4ccc(N5CC[NH+](C)CC5)cc4[nH]3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000028377165 561919448 /nfs/dbraw/zinc/91/94/48/561919448.db2.gz AQHPQTMEIVSAKL-VWLOTQADSA-N 1 1 594.716 5.159 1 0 KKAFMO O=C(CC[NH+]1CCOCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2O)cc1 ZINC000028389545 561921917 /nfs/dbraw/zinc/92/19/17/561921917.db2.gz WRJADHIKMKMBGY-UHFFFAOYSA-N 1 1 604.050 6.385 1 0 KKAFMO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccccc4I)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028455290 561923403 /nfs/dbraw/zinc/92/34/03/561923403.db2.gz MCXZGWCFYZYQIW-YTTGMZPUSA-N 1 1 735.623 5.037 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1ccnc2ccccc21 ZINC000028465532 561926172 /nfs/dbraw/zinc/92/61/72/561926172.db2.gz KBCNGWODBYJUSG-NRFANRHFSA-N 1 1 511.497 5.648 1 0 KKAFMO O=C(NC[C@@H]1CCC[N@H+](C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C1)c1cccc2cccnc21 ZINC000028473848 561927502 /nfs/dbraw/zinc/92/75/02/561927502.db2.gz BJNIWMAHXDJWJS-NRFANRHFSA-N 1 1 511.497 5.648 1 0 KKAFMO Clc1ccc(-n2cncn2)c(Cc2nc3c(ccnc3NCC[C@@H]3CCCC[N@H+]3Cc3ccccc3)o2)c1 ZINC000028528031 561932654 /nfs/dbraw/zinc/93/26/54/561932654.db2.gz ANKIJLVYTUKGJM-DEOSSOPVSA-N 1 1 528.060 5.904 1 0 KKAFMO O=C(NC[C@H]1CCC[N@H+](C2CCN(Cc3cc(Cl)ccc3Cl)CC2)C1)c1ccc2ncccc2c1 ZINC000028476840 561928410 /nfs/dbraw/zinc/92/84/10/561928410.db2.gz QCVWQWXJPXRDNC-HXUWFJFHSA-N 1 1 511.497 5.648 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CC[C@]3(c4cccc(OC(F)(F)F)c4)C[C@H]23)CC1 ZINC000028572439 561940013 /nfs/dbraw/zinc/94/00/13/561940013.db2.gz IBFYJOJEMNPWGW-AVPJRLCVSA-N 1 1 569.043 5.969 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 ZINC000028702904 561947470 /nfs/dbraw/zinc/94/74/70/561947470.db2.gz SSLRKYCBEPQPOB-CCNQEERUSA-N 1 1 732.816 8.520 1 0 KKAFMO CC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028703996 561948105 /nfs/dbraw/zinc/94/81/05/561948105.db2.gz FEHOZFOZMBPRSW-DAORKYKSSA-N 1 1 564.614 7.596 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@@](CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 ZINC000028704070 561948221 /nfs/dbraw/zinc/94/82/21/561948221.db2.gz NHWLZHAUUGGYKT-JBNUINKBSA-N 1 1 540.645 7.106 1 0 KKAFMO COC[C@@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@H]([N@H+]2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 ZINC000028704090 561948292 /nfs/dbraw/zinc/94/82/92/561948292.db2.gz PBLHODZBJXXWDD-JHYPHSFXSA-N 1 1 530.606 5.953 1 0 KKAFMO Clc1ccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4ccc(Cl)cc4)c3)ccn2)cc1 ZINC000028707575 561950064 /nfs/dbraw/zinc/95/00/64/561950064.db2.gz ATTHGFVAAHKHBA-HNRBIFIRSA-N 1 1 515.488 6.966 1 0 KKAFMO COc1cc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)ccn2)cc(OC)c1OC ZINC000028707550 561950104 /nfs/dbraw/zinc/95/01/04/561950104.db2.gz SZXUJNXXESUELF-HNRBIFIRSA-N 1 1 626.754 5.711 1 0 KKAFMO COc1cccc(-c2cc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccnc(-c4cccc(OC)c4)c3)ccn2)c1 ZINC000028707555 561950125 /nfs/dbraw/zinc/95/01/25/561950125.db2.gz MUSWRKUJYWYWJO-HNRBIFIRSA-N 1 1 506.650 5.677 1 0 KKAFMO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccccc4NC(=O)c4cnc5ccccc5c4)cc3)CC2)cc1OC ZINC000028714007 561954366 /nfs/dbraw/zinc/95/43/66/561954366.db2.gz LYPHFRXCVAZTEC-UHFFFAOYSA-N 1 1 601.707 6.079 1 0 KKAFMO c1ccc(C(CCCCN2CC[NH+](CCCC[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)c2ccccc2)cc1 ZINC000028816376 561964020 /nfs/dbraw/zinc/96/40/20/561964020.db2.gz QHAZNMQKEAZESL-LHEWISCISA-N 1 1 588.836 8.093 1 0 KKAFMO C[C@H]1OC(c2ccccc2)(c2ccccc2)OC[C@H]1CN1CC[NH+](CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816394 561964059 /nfs/dbraw/zinc/96/40/59/561964059.db2.gz NGGXTXNCMMOGIG-FHPVIJFVSA-N 1 1 574.809 7.559 1 0 KKAFMO C[C@@H]1OC(c2ccccc2)(c2ccccc2)OC[C@@H]1CN1CC[NH+](CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000028816385 561964071 /nfs/dbraw/zinc/96/40/71/561964071.db2.gz NGGXTXNCMMOGIG-SHUZPENHSA-N 1 1 574.809 7.559 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)ccn32)n1)c1ccccc1 ZINC000028822161 561966695 /nfs/dbraw/zinc/96/66/95/561966695.db2.gz QTRBCEDLRVZPSR-VXKWHMMOSA-N 1 1 551.670 5.679 1 0 KKAFMO C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)C)ccn32)n1)c1ccccc1 ZINC000028822161 561966696 /nfs/dbraw/zinc/96/66/96/561966696.db2.gz QTRBCEDLRVZPSR-VXKWHMMOSA-N 1 1 551.670 5.679 1 0 KKAFMO CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1c1ccccc1 ZINC000028824685 561969884 /nfs/dbraw/zinc/96/98/84/561969884.db2.gz RMWDIPRGXUWYAE-RPBOFIJWSA-N 1 1 526.565 6.979 1 0 KKAFMO CC[NH+]1CCN(C(=O)OC2([C@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879696 561976533 /nfs/dbraw/zinc/97/65/33/561976533.db2.gz BPHSGFNDDBHOCL-LOSJGSFVSA-N 1 1 568.086 5.209 1 0 KKAFMO CC[NH+]1CCN(C(=O)OC2([C@@H]3CCC[C@@H](c4cc(F)cc(F)c4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000028879690 561976563 /nfs/dbraw/zinc/97/65/63/561976563.db2.gz BPHSGFNDDBHOCL-DQEYMECFSA-N 1 1 568.086 5.209 1 0 KKAFMO COc1ccncc1-n1c(=O)c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(C)n1C ZINC000028897803 561979372 /nfs/dbraw/zinc/97/93/72/561979372.db2.gz RWGXMUHOOIXWAL-UHFFFAOYSA-N 1 1 610.105 5.169 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(Cl)cc2)n1C ZINC000028897729 561979378 /nfs/dbraw/zinc/97/93/78/561979378.db2.gz SKOIKTGETGFVMV-UHFFFAOYSA-N 1 1 613.536 6.419 1 0 KKAFMO Cc1c(C[N@@H+](CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccc(O)cc2)n1C ZINC000028897734 561979408 /nfs/dbraw/zinc/97/94/08/561979408.db2.gz KQZVHXDSIRAXSF-UHFFFAOYSA-N 1 1 595.090 5.471 1 0 KKAFMO O=C1NC(=Cc2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000028899279 561979640 /nfs/dbraw/zinc/97/96/40/561979640.db2.gz ZVJUIIFILZVRAC-SJIPCVTESA-N 1 1 544.655 5.894 1 0 KKAFMO CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C[N@@H+](C)C[C@@H](C)c3ccco3)sc21 ZINC000028901679 561980077 /nfs/dbraw/zinc/98/00/77/561980077.db2.gz UNYJGAONQYGWJT-GOSISDBHSA-N 1 1 512.075 5.885 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(C3=CC[N@@H+](CC(C)C)CC3)n2)s1 ZINC000028961183 561984097 /nfs/dbraw/zinc/98/40/97/561984097.db2.gz JHEUFKXLXSJPHC-UHFFFAOYSA-N 1 1 567.637 7.268 1 0 KKAFMO CC(=O)c1sc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C[N@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975177 561986409 /nfs/dbraw/zinc/98/64/09/561986409.db2.gz ULFGYOICMCABPV-SONWIMMPSA-N 1 1 587.762 5.495 1 0 KKAFMO C[C@H]1C[N@@H+](CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 ZINC000029040093 561990438 /nfs/dbraw/zinc/99/04/38/561990438.db2.gz STSDXEDJWCUXPS-LASKTHCNSA-N 1 1 564.614 7.453 1 0 KKAFMO CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(C(F)(F)F)cc2F)CC1 ZINC000029043094 561991888 /nfs/dbraw/zinc/99/18/88/561991888.db2.gz JOPLEQJQVLGYIT-GKRYNVPLSA-N 1 1 610.136 7.305 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049347 561993995 /nfs/dbraw/zinc/99/39/95/561993995.db2.gz UJLIZNBTYSCBBF-CDZUIXILSA-N 1 1 553.106 7.094 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(C(C)C)cc2)N1CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000029049520 561994001 /nfs/dbraw/zinc/99/40/01/561994001.db2.gz UMQRZRZFTLDGQG-WEZIJMHWSA-N 1 1 567.133 7.484 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4cc5nc(N(C)C)oc5cc4CC3)n2C)n1 ZINC000029126902 561999207 /nfs/dbraw/zinc/99/92/07/561999207.db2.gz YZVLQPHHXCJUBM-UHFFFAOYSA-N 1 1 527.698 5.129 1 0 KKAFMO O=C1Nc2ccccc2[C@]12[N@@H+]1CCC[C@H]1[C@H](c1ccc(Cl)cc1)[C@@]21CC[C@@H]2c3ccccc3N[C@H]2C1=O ZINC000029126963 561999282 /nfs/dbraw/zinc/99/92/82/561999282.db2.gz IZTNHWMAUPLTML-POZRDHEVSA-N 1 1 510.037 5.676 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3CCc4ccc5oc(C(F)(F)C(F)(F)F)nc5c4CC3)n2C)n1 ZINC000029127199 561999642 /nfs/dbraw/zinc/99/96/42/561999642.db2.gz YJTUMJAALUNJJT-UHFFFAOYSA-N 1 1 602.633 6.717 1 0 KKAFMO C[C@H]1C[N@H+]([C@@H]2CC[C@]3(CCN(Cc4cc(F)cc(C(F)(F)F)c4)C3=O)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128136 562000568 /nfs/dbraw/zinc/00/05/68/562000568.db2.gz GZGXEOPUVQVMJO-JJOWMTMRSA-N 1 1 512.591 6.422 1 0 KKAFMO CC[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)Cc4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130305 562002401 /nfs/dbraw/zinc/00/24/01/562002401.db2.gz YWZCKVAHVJWALI-UHFFFAOYSA-N 1 1 582.647 6.498 1 0 KKAFMO C[C@H](CC[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2cccn2)cc(-n2cccn2)c1 ZINC000029130151 562002408 /nfs/dbraw/zinc/00/24/08/562002408.db2.gz USWHNYCYCAKUDH-VWNXMTODSA-N 1 1 515.637 5.052 1 0 KKAFMO COc1ccc([C@@H](c2cccs2)c2ccc(OC[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000029130399 562002540 /nfs/dbraw/zinc/00/25/40/562002540.db2.gz VGQVERFTHHEIEQ-GMCHKSTQSA-N 1 1 528.718 5.494 1 0 KKAFMO COc1c(C)c(Cc2ccc(CC(=O)N(CCNc3cc[nH+]c4cc(Cl)ccc34)C(C)C)cc2)c(OC)c2ccccc21 ZINC000029135174 562004504 /nfs/dbraw/zinc/00/45/04/562004504.db2.gz KWBCHMOBMATTAY-UHFFFAOYSA-N 1 1 596.171 7.849 1 0 KKAFMO CN(C[C@@H](CCN1CCC2(CC1)[NH2+]CCc1ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000029334570 562014190 /nfs/dbraw/zinc/01/41/90/562014190.db2.gz JVIZOQMXVALTOM-AREMUKBSSA-N 1 1 536.547 6.376 1 0 KKAFMO O=C(CN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)S[C@@H]1c1ccc(Cl)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000029389142 562016921 /nfs/dbraw/zinc/01/69/21/562016921.db2.gz SNNJMVVLDDWSAV-LHXZUMEBSA-N 1 1 655.648 5.070 1 0 KKAFMO O=C(C[C@H]1S[C@H](c2ccc(C(F)(F)F)cc2C(F)(F)F)N(CC(=O)NCCC[NH+]2CCOCC2)C1=O)NCc1cccc2ccccc21 ZINC000029391954 562017535 /nfs/dbraw/zinc/01/75/35/562017535.db2.gz HVPNNRDBKPWWGS-DLFZDVPBSA-N 1 1 696.714 5.365 1 0 KKAFMO CC[N@@H+](CCCCc1ccncc1)CCc1c2cc(C(C)(C)C(=O)N3C4CCC3CC4)ccc2[nH]c1-c1cc(C)cc(C)c1 ZINC000029416556 562022981 /nfs/dbraw/zinc/02/29/81/562022981.db2.gz SJLYYRRWCXHKFC-UHFFFAOYSA-N 1 1 590.856 8.165 1 0 KKAFMO CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)[NH2+]Cc3cc(Cl)cc(Cl)c3)CC2)c2ccccc21 ZINC000029488510 562028987 /nfs/dbraw/zinc/02/89/87/562028987.db2.gz ZBCUXUXOFUUEKE-MHZLTWQESA-N 1 1 602.584 5.008 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)CCC3)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029555097 562031961 /nfs/dbraw/zinc/03/19/61/562031961.db2.gz XYVHGSPNHFSKDW-SSEXGKCCSA-N 1 1 532.706 5.773 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2cc(OC)cc(OC)c2)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029556629 562032224 /nfs/dbraw/zinc/03/22/24/562032224.db2.gz DYHQEOVEHIOOKX-LJAQVGFWSA-N 1 1 552.693 5.302 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@]2(C(C)C)Sc3ccccc3N(C)C2=O)c1 ZINC000029559037 562032641 /nfs/dbraw/zinc/03/26/41/562032641.db2.gz IKLCHMLRANLYKN-JGCGQSQUSA-N 1 1 578.731 5.824 1 0 KKAFMO COc1ccc(OCCCC[N@@H+](C)CCOc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029562967 562033706 /nfs/dbraw/zinc/03/37/06/562033706.db2.gz YLNVCIXBNIKTSY-WJOKGBTCSA-N 1 1 596.746 5.701 1 0 KKAFMO COc1ccc(OCCC[N@@H+](C)CCOc2ccc3c(c2)OCO3)c([C@@H]2Sc3ccccc3N(C)C2=S)c1 ZINC000029563584 562033789 /nfs/dbraw/zinc/03/37/89/562033789.db2.gz HFVUTJSHZQSUHO-NDEPHWFRSA-N 1 1 552.718 5.814 1 0 KKAFMO CN1CC[NH+](CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NC(=O)Nc4ccc(C(F)(F)F)cc4)nc3n2)CC1 ZINC000029565018 562034187 /nfs/dbraw/zinc/03/41/87/562034187.db2.gz PFCYMLKAPXNHFU-UHFFFAOYSA-N 1 1 633.506 6.711 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000033825592 562037740 /nfs/dbraw/zinc/03/77/40/562037740.db2.gz DCBMRRIKIZOMGP-UHFFFAOYSA-N 1 1 520.555 5.976 1 0 KKAFMO O=C1c2ccccc2S[C@@H](c2c(Cl)cccc2Cl)N1CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000035091171 562044775 /nfs/dbraw/zinc/04/47/75/562044775.db2.gz BVFMWFBPXXDDKN-VWLOTQADSA-N 1 1 514.865 7.554 1 0 KKAFMO C[C@@H](O)[C@H](CC[N@H+]1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034804355 562043174 /nfs/dbraw/zinc/04/31/74/562043174.db2.gz LRBSYXWKXPQNJU-FSKFMFSLSA-N 1 1 554.575 6.034 1 0 KKAFMO C[NH+]1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Br)c3ccccc32)CC1 ZINC000036089440 562046897 /nfs/dbraw/zinc/04/68/97/562046897.db2.gz DYZYHGICPUCIEO-UHFFFAOYSA-N 1 1 524.850 5.225 1 0 KKAFMO C[NH+]1CCN(C2=Nc3ccccc3N(NC(=O)c3cc(F)ccc3C(F)(F)F)c3ccc(Cl)cc32)CC1 ZINC000036089475 562047061 /nfs/dbraw/zinc/04/70/61/562047061.db2.gz KRULJODHDPRKER-UHFFFAOYSA-N 1 1 531.941 5.620 1 0 KKAFMO CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2c1 ZINC000036176894 562049342 /nfs/dbraw/zinc/04/93/42/562049342.db2.gz SMWFHLHWOOWYAP-UHFFFAOYSA-N 1 1 514.678 5.481 1 0 KKAFMO c1ccc(COc2ccc3c(c2)[nH]nc3-c2nc3ccc(N4CCC([NH+]5CCCCC5)CC4)cc3[nH]2)cc1 ZINC000036176928 562049352 /nfs/dbraw/zinc/04/93/52/562049352.db2.gz VDSFUPFAWFPWHF-UHFFFAOYSA-N 1 1 506.654 6.140 1 0 KKAFMO COc1ccc(Oc2ccc3[nH]nc(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)cc1 ZINC000036241942 562052133 /nfs/dbraw/zinc/05/21/33/562052133.db2.gz MDIHGDNYULKXLQ-UHFFFAOYSA-N 1 1 522.653 6.362 1 0 KKAFMO CC[C@H](C)[C@H]([NH2+]CCN)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 ZINC000036285604 562054379 /nfs/dbraw/zinc/05/43/79/562054379.db2.gz HXYRJQCIJOWCGS-QYBDOPJKSA-N 1 1 559.504 5.929 1 0 KKAFMO C[N@@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324249 562055396 /nfs/dbraw/zinc/05/53/96/562055396.db2.gz FLLDRPOJCLGUHA-KHUIQGCPSA-N 1 1 514.510 5.766 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccc(F)cc2)c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000036331624 562056711 /nfs/dbraw/zinc/05/67/11/562056711.db2.gz NMBVHMVJAAEVJA-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO CCOC(=O)c1cn(Cc2ccc(F)cc2)c2sc(-c3ccc(OC)cc3)c(C[N@@H+](C)Cc3ccccc3)c2c1=O ZINC000036331624 562056712 /nfs/dbraw/zinc/05/67/12/562056712.db2.gz NMBVHMVJAAEVJA-UHFFFAOYSA-N 1 1 570.686 6.735 1 0 KKAFMO CN(C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@@H]1CC[N@H+](C2CCC(C)(C)CC2)C1 ZINC000036351486 562058548 /nfs/dbraw/zinc/05/85/48/562058548.db2.gz GETZJGVTPRSRQI-URLMMPGGSA-N 1 1 584.727 6.614 1 0 KKAFMO CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H]([N@@H+](C)CCCC3CCCCC3)C2)C1 ZINC000036351591 562058611 /nfs/dbraw/zinc/05/86/11/562058611.db2.gz YZQZQKIYXFIBBS-JSOSNVBQSA-N 1 1 598.754 7.005 1 0 KKAFMO CCC(=O)Nc1cccc([C@@]23C[C@@H]2[C@H](N(CCC[NH+]2CCN(C)CC2)C(=O)Nc2ccc(F)c(Cl)c2)CC3)c1 ZINC000036351622 562058853 /nfs/dbraw/zinc/05/88/53/562058853.db2.gz BDVXIJYOMPKSRZ-UCVANPEUSA-N 1 1 556.126 5.419 1 0 KKAFMO CCCCCc1cc(=O)oc2c1c(OC)cc(OC)c2[C@H](CC[N@H+]1CCC[C@H](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000038146587 562065297 /nfs/dbraw/zinc/06/52/97/562065297.db2.gz WGQCVUUUJSQMIV-WIOPSUGQSA-N 1 1 581.750 6.823 3 0 KKAFMO C[C@H]1C[N@@H+](CCCc2ccccc2)[C@@H]2C[C@@H](NC(=O)C3(c4ccccc4)CCC3)C[C@@]1(c1cccc(O)c1)C2 ZINC000038147766 562065554 /nfs/dbraw/zinc/06/55/54/562065554.db2.gz FFSVHQSMPSUXFC-CFCKTANGSA-N 1 1 522.733 6.374 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@@H](C(C)C)C[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150636 562066312 /nfs/dbraw/zinc/06/63/12/562066312.db2.gz RGFNFGSQVBRRIT-CCNCKIRNSA-N 1 1 564.767 6.058 1 0 KKAFMO CC(C)CC[N@H+]1CC[C@H](C)C[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150652 562066455 /nfs/dbraw/zinc/06/64/55/562066455.db2.gz GRZGPYMYCGWTKZ-RNCAPKPVSA-N 1 1 536.713 5.421 1 0 KKAFMO CC(C)CC[N@H+]1CCC[C@H](C)[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C ZINC000038150649 562066467 /nfs/dbraw/zinc/06/64/67/562066467.db2.gz SIZIBPAHPIUMOL-RNCAPKPVSA-N 1 1 536.713 5.421 1 0 KKAFMO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000038457295 562071993 /nfs/dbraw/zinc/07/19/93/562071993.db2.gz CCXDRJAINCWDAQ-NHCUHLMSSA-N 1 1 520.901 5.708 1 0 KKAFMO COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@](C)(CCCCc4ccccc4)C[C@@H]4[C@@H](C2)[N@H+](CC2CCC2)CC[C@]314 ZINC000040368863 562073220 /nfs/dbraw/zinc/07/32/20/562073220.db2.gz BEOPGQZLRRYYIV-LLGCZPIVSA-N 1 1 501.711 5.925 1 0 KKAFMO C[C@H](O)CNC(=O)C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040395450 562074423 /nfs/dbraw/zinc/07/44/23/562074423.db2.gz RKTACIMPZTWTHT-AVKCZOBUSA-N 1 1 523.504 6.145 1 0 KKAFMO Cc1ccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000040584943 562078404 /nfs/dbraw/zinc/07/84/04/562078404.db2.gz VOVWYRPVUVLZTL-UKTHLTGXSA-N 1 1 517.501 5.841 1 0 KKAFMO C[N@@H+](CCCCCCCOc1ccc(-c2oc3ccccc3c2C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000040879977 562082432 /nfs/dbraw/zinc/08/24/32/562082432.db2.gz HBYBQDJZTXGWDU-UHFFFAOYSA-N 1 1 531.696 8.792 1 0 KKAFMO CN1CC[NH+](Cc2ccc(Nc3nc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4s3)cc2)CC1 ZINC000042805350 562089192 /nfs/dbraw/zinc/08/91/92/562089192.db2.gz ANGBZYNNANAOBU-UHFFFAOYSA-N 1 1 590.128 6.692 1 0 KKAFMO C[N@H+](CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)CCC1c2ccccc2-c2ccccc21 ZINC000040897426 562083166 /nfs/dbraw/zinc/08/31/66/562083166.db2.gz MOJUGRLTBSXVQD-UHFFFAOYSA-N 1 1 508.493 6.167 1 0 KKAFMO COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[NH2+]CC2)N(C)CC4 ZINC000095485898 560061921 /nfs/dbraw/zinc/06/19/21/560061921.db2.gz DYGNICRHRUENKM-WUFINQPMSA-N 1 1 594.708 6.517 1 0 biogenic,in-vitro KKAFMO C[C@@H]1CCC[N@H+]1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br ZINC000043079503 562645782 /nfs/dbraw/zinc/64/57/82/562645782.db2.gz VLJYRARAGISBAK-CQSZACIVSA-N 1 1 516.299 5.109 1 0 KKAFMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCN(Cc3ccc4c(c3)OCO4)C[C@H]2C)cc1)c1ccc(Br)cc1 ZINC000043079725 562645831 /nfs/dbraw/zinc/64/58/31/562645831.db2.gz KYIFZXJUWBRQGE-RTWAWAEBSA-N 1 1 550.497 5.375 1 0 KKAFMO COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(C[N@H+]2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043397010 562648176 /nfs/dbraw/zinc/64/81/76/562648176.db2.gz HBQUUZVSFQDTPW-HKBQPEDESA-N 1 1 555.744 6.949 1 0 KKAFMO O=C(Nc1ccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000044005133 562651396 /nfs/dbraw/zinc/65/13/96/562651396.db2.gz VRGCBLCNWHWXFW-BVAGGSTKSA-N 1 1 584.602 6.267 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCC[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000044031779 562651608 /nfs/dbraw/zinc/65/16/08/562651608.db2.gz XXFVLRQBOFTRPY-YRNVUSSQSA-N 1 1 586.391 7.230 1 0 KKAFMO Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000044304952 562653320 /nfs/dbraw/zinc/65/33/20/562653320.db2.gz LTQUYIDRVVZZIM-UHFFFAOYSA-N 1 1 577.696 6.480 1 0 KKAFMO Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(C[NH+]5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3ccn12 ZINC000044304952 562653321 /nfs/dbraw/zinc/65/33/21/562653321.db2.gz LTQUYIDRVVZZIM-UHFFFAOYSA-N 1 1 577.696 6.480 1 0 KKAFMO COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH2+][C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000044305562 562653501 /nfs/dbraw/zinc/65/35/01/562653501.db2.gz ZETVLYHFBVWEKQ-VSGBNLITSA-N 1 1 592.692 6.532 1 0 KKAFMO NC(=O)C1(c2ccc(OC(F)(F)F)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000044404547 562656455 /nfs/dbraw/zinc/65/64/55/562656455.db2.gz RDTPBXFTWBKENH-WEWIIKPSSA-N 1 1 549.420 7.032 1 0 KKAFMO O=C([O-])[C@@H](CC1CCC1)[N@H+]1C[C@H](C[NH+]2CCC(c3[nH]c(Cc4ccccc4)nc3Cl)CC2)[C@@H](c2ccccc2)C1 ZINC000044418284 562657270 /nfs/dbraw/zinc/65/72/70/562657270.db2.gz YMDOMKSTYDVLJM-ZGIBFIJWSA-N 1 1 561.170 6.192 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(C[N@H+]2CC[C@H](c3c[nH]c4ccccc43)[C@@H](O)C2)CC1 ZINC000045167452 562658029 /nfs/dbraw/zinc/65/80/29/562658029.db2.gz IBMGAYKORIZRPI-YZLCULJHSA-N 1 1 526.508 6.013 1 0 KKAFMO C[N@H+]1CCc2cc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c(N3CCCCC3)cc2CC1 ZINC000045167882 562658098 /nfs/dbraw/zinc/65/80/98/562658098.db2.gz WCYXCHVZMPSMEI-UHFFFAOYSA-N 1 1 516.132 5.890 1 0 KKAFMO CCCCC[N@H+]1CCCC[C@@H](NS(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000045210386 562659272 /nfs/dbraw/zinc/65/92/72/562659272.db2.gz LAADWCKHEFLRPP-JOCHJYFZSA-N 1 1 511.610 5.281 1 0 KKAFMO O=C1COc2ccccc2N1C/C=C(\C[NH+]1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000045228992 562659513 /nfs/dbraw/zinc/65/95/13/562659513.db2.gz ZABJSMPRCYSMKL-FSJBWODESA-N 1 1 507.461 6.682 1 0 KKAFMO C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc13 ZINC000045260831 562660044 /nfs/dbraw/zinc/66/00/44/562660044.db2.gz YGDGBZQTGCWFHN-BGWNEDDSSA-N 1 1 502.396 5.590 1 0 in-vivo KKAFMO O=C(Nc1cccc(F)c1)N[C@H]1CC[N@@H+](CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000045229948 562659597 /nfs/dbraw/zinc/65/95/97/562659597.db2.gz UMVQRVFLSLPAEH-BDTNDASRSA-N 1 1 521.464 5.419 1 0 KKAFMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000045301246 562660490 /nfs/dbraw/zinc/66/04/90/562660490.db2.gz IWPQMTNIXGGYJA-UHFFFAOYSA-N 1 1 512.519 6.847 1 0 KKAFMO Cc1ccc(NC(=O)N2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1C ZINC000045302215 562660580 /nfs/dbraw/zinc/66/05/80/562660580.db2.gz GWPHXQKLCCCAPJ-FMIVXFBMSA-N 1 1 531.528 6.150 1 0 KKAFMO CC(C)Oc1cccc(-c2ccc(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)C3)s2)c1 ZINC000045302198 562660586 /nfs/dbraw/zinc/66/05/86/562660586.db2.gz FTQVYVFAAPRQJU-OAQYLSRUSA-N 1 1 516.629 6.863 1 0 KKAFMO CCCC[NH2+]Cc1ccc(-c2nc(CN(Cc3ccc(Cl)c(Cl)c3)C(=O)CN(C)C)cs2)cc1 ZINC000045302264 562660599 /nfs/dbraw/zinc/66/05/99/562660599.db2.gz OXPDKZGJEZORIM-UHFFFAOYSA-N 1 1 519.542 6.097 1 0 KKAFMO O=C(NCc1cccnc1)[C@@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000045335135 562661321 /nfs/dbraw/zinc/66/13/21/562661321.db2.gz PJMJHPZVQONGOY-JGCGQSQUSA-N 1 1 516.645 5.593 1 0 KKAFMO O=S(=O)(c1ccc(C(F)(F)F)cc1)N(CCC[NH+]1CCN(c2ccccc2)CC1)CC1CCCCC1 ZINC000045370326 562662206 /nfs/dbraw/zinc/66/22/06/562662206.db2.gz VTKYRAJUGURCGT-UHFFFAOYSA-N 1 1 523.665 5.489 1 0 KKAFMO O=S(=O)(c1ccc2ccccc2c1)N(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1 ZINC000045372252 562662255 /nfs/dbraw/zinc/66/22/55/562662255.db2.gz LSGJWSJZDUYGNN-UHFFFAOYSA-N 1 1 523.718 5.762 1 0 KKAFMO Cc1ccc(CNC(=O)/C=C\C(=O)N2CCC[N@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000045373268 562662274 /nfs/dbraw/zinc/66/22/74/562662274.db2.gz DJTKGWCOGVBRHI-PAWAISHBSA-N 1 1 502.058 5.145 1 0 KKAFMO Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1cccc(CC[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000048307334 562662940 /nfs/dbraw/zinc/66/29/40/562662940.db2.gz BZORWBBHTKRSGC-VWLOTQADSA-N 1 1 546.202 6.547 1 0 KKAFMO COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4cc(F)c(Cl)cc4[nH]3)cc2)CC1 ZINC000048308866 562663139 /nfs/dbraw/zinc/66/31/39/562663139.db2.gz RGIHCZSIYUNICX-UHFFFAOYSA-N 1 1 556.469 5.627 1 0 KKAFMO COc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2)CC1 ZINC000048308866 562663140 /nfs/dbraw/zinc/66/31/40/562663140.db2.gz RGIHCZSIYUNICX-UHFFFAOYSA-N 1 1 556.469 5.627 1 0 KKAFMO Cc1ccc2c(cccc2-c2nnc(SCCC[N@H+]3C[C@@H]4C[C@]4(c4ccc(C(F)(F)F)cc4)C3)n2C)n1 ZINC000049032727 562663358 /nfs/dbraw/zinc/66/33/58/562663358.db2.gz AWJOAMPQOUEKCN-KDYSTLNUSA-N 1 1 523.628 6.113 1 0 KKAFMO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c(O)c3)c(-c3ccncc3)nn21 ZINC000049034354 562663501 /nfs/dbraw/zinc/66/35/01/562663501.db2.gz FBURAFZZOWGKPS-GOTSBHOMSA-N 1 1 506.585 5.171 1 0 KKAFMO C[NH2+][C@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C ZINC000049087537 562664317 /nfs/dbraw/zinc/66/43/17/562664317.db2.gz LTOXVPHAHSNJRZ-GDLZYMKVSA-N 1 1 517.460 6.066 1 0 KKAFMO CCC[N@@H+](CCc1ccccc1)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000049089954 562664461 /nfs/dbraw/zinc/66/44/61/562664461.db2.gz KZOTYEIWOWOSFS-UHFFFAOYSA-N 1 1 503.012 7.177 1 0 KKAFMO O=c1cc(NCC[C@@H](C[NH2+]Cc2ccoc2)NCc2cc(Br)cc(Br)c2)[nH]c2ccccc12 ZINC000049605183 562665483 /nfs/dbraw/zinc/66/54/83/562665483.db2.gz QHBVPWFGGHOXDI-NRFANRHFSA-N 1 1 574.317 5.396 1 0 KKAFMO C[C@@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605386 562665786 /nfs/dbraw/zinc/66/57/86/562665786.db2.gz HNSGUCXPDVWMRV-PZGXJGMVSA-N 1 1 562.076 5.814 1 0 KKAFMO C[C@H](Cc1ccc(OCCN2CCN(c3cccc(Cl)c3)CC2)cc1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000049605387 562665820 /nfs/dbraw/zinc/66/58/20/562665820.db2.gz HNSGUCXPDVWMRV-KPURRNSFSA-N 1 1 562.076 5.814 1 0 KKAFMO O=C(NCCCC[N@@H+]1CC=C(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605404 562665833 /nfs/dbraw/zinc/66/58/33/562665833.db2.gz RDFLMJLBUTUTTJ-UHFFFAOYSA-N 1 1 602.741 8.339 1 0 KKAFMO CN1CC[NH+](CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4c(c3)OCO4)c2)CC1 ZINC000049605926 562666432 /nfs/dbraw/zinc/66/64/32/562666432.db2.gz GIZGRLHRWPQQSV-UHFFFAOYSA-N 1 1 696.668 5.330 1 0 KKAFMO 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)N(C)CC4 ZINC000049613940 562666476 /nfs/dbraw/zinc/66/64/76/562666476.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 1 1 692.853 8.105 1 0 KKAFMO 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)N(C)CC4 ZINC000049613940 562666477 /nfs/dbraw/zinc/66/64/77/562666477.db2.gz SEZSVIXXXGJDLP-AJQTZOPKSA-N 1 1 692.853 8.105 1 0 KKAFMO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)cc2)cc1 ZINC000049625858 562666867 /nfs/dbraw/zinc/66/68/67/562666867.db2.gz ROZDJEIFFBNNNA-UHFFFAOYSA-N 1 1 535.591 6.609 1 0 KKAFMO CCN1CCN(c2cccc3c2CN([C@H](CCC[NH2+]Cc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049694502 562669417 /nfs/dbraw/zinc/66/94/17/562669417.db2.gz NMPBLSGROAKOMM-HHHXNRCGSA-N 1 1 548.753 5.174 1 0 KKAFMO O=C(Nc1ccc(I)cc1)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@H+](CC1CC1)CC3 ZINC000049694534 562669437 /nfs/dbraw/zinc/66/94/37/562669437.db2.gz NPYVOXBQYYFMIU-VXQMPNGUSA-N 1 1 541.477 6.404 1 0 KKAFMO CN1CC[NH+](CCCOc2ccc3c(c2)sc2nc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)cn32)CC1 ZINC000049694945 562669971 /nfs/dbraw/zinc/66/99/71/562669971.db2.gz DTOKHNAODOAINH-UHFFFAOYSA-N 1 1 587.750 6.162 1 0 KKAFMO C[C@H]1C[C@@H](N2CCN(c3ncc(C(=O)NCc4ccc(Cl)c(Cl)c4)cc3Cl)CC2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000049695105 562670198 /nfs/dbraw/zinc/67/01/98/562670198.db2.gz PRPPWWOPQVJUNZ-CPJSRVTESA-N 1 1 621.440 6.800 1 0 KKAFMO CN1CC[NH+](CCCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2Cc2ccccc2)CC1 ZINC000049710286 562671626 /nfs/dbraw/zinc/67/16/26/562671626.db2.gz CULCANJXXJMRLI-UHFFFAOYSA-N 1 1 578.601 6.991 1 0 KKAFMO CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049722630 562672268 /nfs/dbraw/zinc/67/22/68/562672268.db2.gz QNEYCAYMNPOGEH-NJHZRGNWSA-N 1 1 583.630 6.567 1 0 KKAFMO C[NH+]1CCN(CCCSc2ccc3c(c2)ncn3-c2cc(OCc3ccccc3C(F)(F)F)c(C(N)=O)s2)CC1 ZINC000049722649 562672313 /nfs/dbraw/zinc/67/23/13/562672313.db2.gz NFGXQLQAGRDMGZ-UHFFFAOYSA-N 1 1 589.709 5.513 1 0 KKAFMO C[N@H+]1CCC[C@@H]1CCNC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049722691 562672354 /nfs/dbraw/zinc/67/23/54/562672354.db2.gz WMOFZJZCOQWBCG-GJZUVCINSA-N 1 1 546.539 6.035 1 0 KKAFMO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000049722683 562672407 /nfs/dbraw/zinc/67/24/07/562672407.db2.gz ZXDZRWVVWOZSKJ-UHFFFAOYSA-N 1 1 524.572 5.230 1 0 KKAFMO C[N@@H+]1CCC[C@@H](Oc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049722922 562672684 /nfs/dbraw/zinc/67/26/84/562672684.db2.gz NCIIFETZTIKMAX-HXUWFJFHSA-N 1 1 541.877 6.232 1 0 KKAFMO C[N@H+]1CCC[C@@H](Oc2cc3c(cc2Br)CCN3C(=O)Nc2ccc(-c3ccncc3)c(Cl)c2)C1 ZINC000049722922 562672685 /nfs/dbraw/zinc/67/26/85/562672685.db2.gz NCIIFETZTIKMAX-HXUWFJFHSA-N 1 1 541.877 6.232 1 0 KKAFMO CCOc1ccc(C2CCN(CC[NH+]3CCC(NC(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)CC3)CC2)c(OCC2CC2)c1 ZINC000049723074 562672927 /nfs/dbraw/zinc/67/29/27/562672927.db2.gz KFNCBVSVZGMARL-UHFFFAOYSA-N 1 1 649.798 7.634 1 0 KKAFMO CC(C)(C)c1ccc(OC(=O)c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CC[N@@H+](Cc4ccc(O)cc4)C3)cc2)cc1 ZINC000049744933 562673512 /nfs/dbraw/zinc/67/35/12/562673512.db2.gz CIPFNSORHWWFGG-NHZFLZHXSA-N 1 1 650.776 5.738 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccc(Cl)cc3s2)cc1 ZINC000049757145 562675611 /nfs/dbraw/zinc/67/56/11/562675611.db2.gz WMBJPWPAQLGSFL-UHFFFAOYSA-N 1 1 575.138 6.328 1 0 KKAFMO O=C1C=C(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)/C(=C/c2ccc(Cl)cc2)O1 ZINC000049763091 562676825 /nfs/dbraw/zinc/67/68/25/562676825.db2.gz IYBBNEKINANDHX-NTFVMDSBSA-N 1 1 529.467 6.909 1 0 KKAFMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1OC(=O)c1ccc(Br)cc1)c2NC(C)(C)CC(C)(C)C ZINC000049766385 562677055 /nfs/dbraw/zinc/67/70/55/562677055.db2.gz PFBVQKPUFHATHA-UHFFFAOYSA-N 1 1 534.498 7.918 1 0 KKAFMO CC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)[NH2+]Cc2ccc3ncccc3c2)nn1 ZINC000049766622 562677118 /nfs/dbraw/zinc/67/71/18/562677118.db2.gz BJXIWHVMUJFWQV-BTYSJIOQSA-N 1 1 557.592 6.033 1 0 KKAFMO CC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)([NH2+]Cc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049767800 562677712 /nfs/dbraw/zinc/67/77/12/562677712.db2.gz NEHUYZJMIALMLY-DFHRPNOPSA-N 1 1 543.565 5.643 1 0 KKAFMO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc2ccccc2n1-c1cc(NCCC[NH+]2CCN(C)CC2)ncn1 ZINC000049775547 562679125 /nfs/dbraw/zinc/67/91/25/562679125.db2.gz YGTYIGUWQYTZMS-UHFFFAOYSA-N 1 1 643.718 6.188 1 0 KKAFMO Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCC[NH+]4CCN(C(=O)c5cccn5C)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777059 562679580 /nfs/dbraw/zinc/67/95/80/562679580.db2.gz GEIAIWAMZLASTE-PMERELPUSA-N 1 1 639.866 5.557 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000049777795 562680531 /nfs/dbraw/zinc/68/05/31/562680531.db2.gz BMGSGSGMLBHZCA-RZBOESAMSA-N 1 1 556.531 5.123 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CCCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049780964 562682470 /nfs/dbraw/zinc/68/24/70/562682470.db2.gz GLZYPKCZMYVDDL-WPLJCJQWSA-N 1 1 607.739 5.168 1 0 KKAFMO CCn1cc(-c2ccnc3[nH]c(-c4ccc(C[NH+]5CCOCC5)cc4)cc32)c(-c2ccc(NC(=O)N(C)C)cc2)n1 ZINC000049784089 562683440 /nfs/dbraw/zinc/68/34/40/562683440.db2.gz FKLCPPPITVKULK-UHFFFAOYSA-N 1 1 549.679 5.706 1 0 KKAFMO CCOC(=O)c1cc2cc(Nc3ncnc4cc(OC)c(OCCC[N@H+]5CCCC[C@H]5C)cc43)ccc2s1 ZINC000049802941 562686012 /nfs/dbraw/zinc/68/60/12/562686012.db2.gz ZQJHBBLMLRMQIY-LJQANCHMSA-N 1 1 534.682 6.417 1 0 KKAFMO COC(=O)c1ccc(C(=O)Nc2ccc(CC[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000049841541 562688485 /nfs/dbraw/zinc/68/84/85/562688485.db2.gz WDTJXSRPRRUIIV-UHFFFAOYSA-N 1 1 644.728 6.144 1 0 KKAFMO FC(F)(F)c1cccc(C[N@@H+](CCCOc2n[nH]c3ccccc32)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000049867477 562689521 /nfs/dbraw/zinc/68/95/21/562689521.db2.gz JFYYICQUPIPHLA-UHFFFAOYSA-N 1 1 564.051 8.338 1 0 KKAFMO O=C1NCN(c2ccccc2)C12CC[NH+](CCC[C@]1(c3ccc(Cl)c(Cl)c3)CCN(Cc3ccco3)C1)CC2 ZINC000049881468 562690800 /nfs/dbraw/zinc/69/08/00/562690800.db2.gz JEFCMVCLMZSGMS-PMERELPUSA-N 1 1 567.561 5.939 1 0 KKAFMO CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3NC(=O)C[NH+](C)C)ncn2)s1 ZINC000049888652 562691347 /nfs/dbraw/zinc/69/13/47/562691347.db2.gz PXLFKRWJLYGHNX-UHFFFAOYSA-N 1 1 530.532 5.023 1 0 KKAFMO COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](Nc5cc[nH+]c6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000049889110 562691800 /nfs/dbraw/zinc/69/18/00/562691800.db2.gz LTNHWFVTXHMYCW-KHCJXHKASA-N 1 1 667.287 8.000 1 0 KKAFMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H](c1cc2ccccc2o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000049917628 562693716 /nfs/dbraw/zinc/69/37/16/562693716.db2.gz FHUJCSUZNVCZCB-XIFFEERXSA-N 1 1 583.654 7.216 1 0 KKAFMO CC[N@H+]1CC[C@@H](N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C1 ZINC000049917866 562694061 /nfs/dbraw/zinc/69/40/61/562694061.db2.gz WDQWQNOQDURTBH-SSEXGKCCSA-N 1 1 691.766 8.381 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000049917907 562694125 /nfs/dbraw/zinc/69/41/25/562694125.db2.gz LROQIJZEUPRJEP-AWGFCZPBSA-N 1 1 557.444 6.208 1 0 KKAFMO O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000049917938 562694190 /nfs/dbraw/zinc/69/41/90/562694190.db2.gz OVOQKPVGHPMAAO-OAQYLSRUSA-N 1 1 531.600 5.148 1 0 KKAFMO O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000049917978 562694290 /nfs/dbraw/zinc/69/42/90/562694290.db2.gz ZWCDCZKDHKRCSM-OAQYLSRUSA-N 1 1 537.648 5.528 1 0 KKAFMO CCOC(=O)c1ccc(NC(=O)NCCC[C@@H]2CCC[N@@H+](CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000049918037 562694306 /nfs/dbraw/zinc/69/43/06/562694306.db2.gz GDAOTXGABVHAOU-BQHRQADXSA-N 1 1 617.618 6.784 1 0 KKAFMO CC(C)c1cc(Oc2c(I)cc(CCCc3[nH]cc[nH+]3)cc2I)ccc1O ZINC000049918152 562694478 /nfs/dbraw/zinc/69/44/78/562694478.db2.gz SCBQVOHQNMDQQP-UHFFFAOYSA-N 1 1 588.227 6.416 1 0 KKAFMO CCn1nc(C2CC[NH+](C[C@H]3C[N@H+]([C@@H](C(=O)[O-])C4CCCCC4)C[C@@H]3c3ccccc3)CC2)cc1Cc1ccccc1 ZINC000053132157 562696311 /nfs/dbraw/zinc/69/63/11/562696311.db2.gz ILBDFKGQNFCVSY-LWKLBADKSA-N 1 1 568.806 6.422 1 0 KKAFMO CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CC[NH+](Cc1csc(-c3ccccc3)n1)CC2 ZINC000053243875 562696863 /nfs/dbraw/zinc/69/68/63/562696863.db2.gz UVHALJBNIXPOQC-VWLOTQADSA-N 1 1 508.732 5.242 1 0 KKAFMO C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CC[NH+]5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl ZINC000058564059 562699395 /nfs/dbraw/zinc/69/93/95/562699395.db2.gz OENQIJZSDDCZNC-LJQANCHMSA-N 1 1 577.110 5.175 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000058566739 562699500 /nfs/dbraw/zinc/69/95/00/562699500.db2.gz IHCFTGHARRXKNR-NEEKEDPPSA-N 1 1 532.681 5.521 1 0 KKAFMO CCCCNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000058566739 562699501 /nfs/dbraw/zinc/69/95/01/562699501.db2.gz IHCFTGHARRXKNR-NEEKEDPPSA-N 1 1 532.681 5.521 1 0 KKAFMO O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CC[N@H+](CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058609283 562701022 /nfs/dbraw/zinc/70/10/22/562701022.db2.gz ZTGKKBRUYNYCNY-GBESFXJTSA-N 1 1 572.364 6.586 1 0 KKAFMO Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccc(-c5ccccc5)cc4)CC[C@@]4(O)[C@@H](C2)[N@@H+](CC2CC2)CC[C@]314 ZINC000058615842 562701047 /nfs/dbraw/zinc/70/10/47/562701047.db2.gz OZBNFFZIMBTLAB-RVUODFHMSA-N 1 1 509.646 5.209 1 0 KKAFMO O=C(Cc1ccccc1)Nc1cccc(-c2nc3c(ncnc3N3C[C@H]4CC[N@@H+](Cc5ccccc5)[C@H]4C3)o2)c1 ZINC000058655355 562701343 /nfs/dbraw/zinc/70/13/43/562701343.db2.gz ZMWYPHJRULTAQZ-VPUSJEBWSA-N 1 1 530.632 5.177 1 0 KKAFMO COc1cc(OC)c([C@H](CC[N@H+]2CCC[C@H](C)C2)c2ccc3c(c2)OCO3)c2oc(=O)cc(-c3ccccc3)c12 ZINC000059744891 562702187 /nfs/dbraw/zinc/70/21/87/562702187.db2.gz RCSPFHBAQYBMER-XUZZJYLKSA-N 1 1 541.644 6.460 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@@H]3c2ccccc2)c1 ZINC000059796528 562702351 /nfs/dbraw/zinc/70/23/51/562702351.db2.gz MMKSWHUGCQHRDI-FSOZDLKISA-N 1 1 500.642 6.557 3 0 KKAFMO COC(=O)c1cccc(C23CC4(C2)[C@H](C[N@@H+](Cc2cccnc2)[C@@H]4c2ccccc2)[C@H]3c2ccccc2)c1 ZINC000059796529 562702356 /nfs/dbraw/zinc/70/23/56/562702356.db2.gz MMKSWHUGCQHRDI-OETVIHDQSA-N 1 1 500.642 6.557 3 0 KKAFMO FC(F)(F)c1ccc(C[N@H+]2C[C@@H]3[C@@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955098 562702466 /nfs/dbraw/zinc/70/24/66/562702466.db2.gz WRZDNNNWRDBIAE-ZCGWPHLNSA-N 1 1 509.615 8.394 3 0 aggregator KKAFMO CCOc1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000062213081 562704419 /nfs/dbraw/zinc/70/44/19/562704419.db2.gz XOKQXPCDCRWFMF-AREMUKBSSA-N 1 1 505.634 5.778 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064436809 562705222 /nfs/dbraw/zinc/70/52/22/562705222.db2.gz KESJHBITHJMSMQ-SFTDATJTSA-N 1 1 516.584 5.033 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1cc(F)c(-c2ccnc3c(-c4ccc(F)c5n[nH]cc54)c(-c4ccncc4)nn32)c(F)c1 ZINC000064447732 562705421 /nfs/dbraw/zinc/70/54/21/562705421.db2.gz IOXPBXUNYNTKQK-OALUTQOASA-N 1 1 552.564 5.312 1 0 KKAFMO CC[N@@H+]1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448349 562705483 /nfs/dbraw/zinc/70/54/83/562705483.db2.gz BQNPHGJXMWFRFI-UJOZJXIWSA-N 1 1 592.747 7.162 1 0 KKAFMO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3C)ccc1-c1ccnc2c(-c3ccc(F)c4n[nH]cc43)c(-c3ccncc3)nn21 ZINC000064448393 562705525 /nfs/dbraw/zinc/70/55/25/562705525.db2.gz GTMBWPYOKDFCNH-VXKWHMMOSA-N 1 1 530.611 5.342 1 0 KKAFMO S=C(NCCCNc1ccnc2cc(Cl)ccc21)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000064448860 562705578 /nfs/dbraw/zinc/70/55/78/562705578.db2.gz GPPMMXAHQWHZEW-UHFFFAOYSA-N 1 1 513.498 5.858 1 0 KKAFMO C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4cccc5n[nH]cc54)c(-c4ccncc4)nn32)cc1C(F)(F)F ZINC000064453801 562705641 /nfs/dbraw/zinc/70/56/41/562705641.db2.gz FVDQTDWBXKAMSI-SFTDATJTSA-N 1 1 566.591 5.913 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)c2ncnn2C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000064512786 562706284 /nfs/dbraw/zinc/70/62/84/562706284.db2.gz UELIGXHMBSCNLD-REUBFRLUSA-N 1 1 624.220 6.895 1 0 KKAFMO Cc1nc(C(C)(C)[C@@H]2CC3(CCN(C(=O)[C@@H]4C[N@H+](C(C)(C)C)C[C@H]4c4ccc(F)cc4F)CC3)c3cc(Cl)c(C)cc32)no1 ZINC000064513596 562706407 /nfs/dbraw/zinc/70/64/07/562706407.db2.gz OJRQPZOLXCDUKG-ZRRKCSAHSA-N 1 1 625.204 7.457 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2CC[C@@]3(C2)CCCc2cc(Br)ccc23)n1C ZINC000064514026 562706504 /nfs/dbraw/zinc/70/65/04/562706504.db2.gz LJOIJDZCFSDRBE-HSZRJFAPSA-N 1 1 502.482 5.003 1 0 KKAFMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000064548772 562707931 /nfs/dbraw/zinc/70/79/31/562707931.db2.gz WOARFNLDHSQISN-MUUNZHRXSA-N 1 1 550.728 6.269 1 0 KKAFMO Cc1ncoc1-c1nnc(SCCC[N@H+]2CC[C@@]3(C2)CCCc2ccc(Br)cc23)n1C ZINC000064549469 562708075 /nfs/dbraw/zinc/70/80/75/562708075.db2.gz MKRKVCYLRHDJLG-HSZRJFAPSA-N 1 1 502.482 5.003 1 0 KKAFMO Clc1cccc(N2CC[NH+](CCCNc3nc4ccccc4c(NCc4ccco4)n3)CC2)c1Cl ZINC000066112976 562712161 /nfs/dbraw/zinc/71/21/61/562712161.db2.gz QQQAIZMWNCCTNQ-UHFFFAOYSA-N 1 1 511.457 5.766 1 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@H]1CN1C(=S)NC[C@@H]1CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123114 562712408 /nfs/dbraw/zinc/71/24/08/562712408.db2.gz HIXUNFAFDDRQIW-CUPIEXAXSA-N 1 1 626.037 6.955 3 0 KKAFMO CC(C)Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066136292 562713062 /nfs/dbraw/zinc/71/30/62/562713062.db2.gz GWCAQZNWHULOSU-UHFFFAOYSA-N 1 1 521.727 5.004 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Cc3ccccc3)cccc2C1=O ZINC000066147792 562713555 /nfs/dbraw/zinc/71/35/55/562713555.db2.gz PXBFCTWQJKAISQ-RCUDDFTLSA-N 1 1 591.752 5.887 3 0 KKAFMO CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[N@@H+](Cc3ccccc3)C(C)C)cc2)cc1 ZINC000066167023 562714199 /nfs/dbraw/zinc/71/41/99/562714199.db2.gz PGSAXCJWCDSMCF-XMMPIXPASA-N 1 1 521.727 5.319 1 0 KKAFMO CN(C[C@@H]1CCCC[N@H+]1C)c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2 ZINC000066252070 562714637 /nfs/dbraw/zinc/71/46/37/562714637.db2.gz JYLAXWCUPMUZAQ-NRFANRHFSA-N 1 1 593.620 6.179 1 0 KKAFMO CC(C)(C)OC(=O)N1CC[NH+](CCCCOc2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000066259233 562715206 /nfs/dbraw/zinc/71/52/06/562715206.db2.gz ACVBHAXUSHPNLT-UHFFFAOYSA-N 1 1 526.722 5.489 1 0 KKAFMO C[NH+]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260040 562715425 /nfs/dbraw/zinc/71/54/25/562715425.db2.gz FXFWLGLXQDHULE-UHFFFAOYSA-N 1 1 551.539 5.010 1 0 KKAFMO COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@H]([NH+](C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000068245477 562716080 /nfs/dbraw/zinc/71/60/80/562716080.db2.gz NXIWKVKEGODGND-DEOSSOPVSA-N 1 1 622.648 5.317 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](CN(C)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000068249399 562716224 /nfs/dbraw/zinc/71/62/24/562716224.db2.gz PASMKWHBPPXXIM-HFVNIMEJSA-N 1 1 542.749 6.007 1 0 KKAFMO COc1ccc(C[N@@H+](C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46C(=O)C[C@]23C)CC[C@@H]2N=C(C(C)C)SC[C@@]52C)cc1 ZINC000071281628 562716680 /nfs/dbraw/zinc/71/66/80/562716680.db2.gz JNQCYAPDXOOPBU-SGOUQRLHSA-N 1 1 606.917 7.254 1 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)C1(c2ccccc2)CCN(C(=O)C(C)(C)C)CC1 ZINC000071281524 562716687 /nfs/dbraw/zinc/71/66/87/562716687.db2.gz LCKPDYGWOISVFA-ZVBBVAIHSA-N 1 1 526.725 5.688 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)Nc2cccc(Cl)c2)cc1 ZINC000071296465 562717547 /nfs/dbraw/zinc/71/75/47/562717547.db2.gz JPWYVAROSPOSCT-BKMJKUGQSA-N 1 1 524.061 5.446 1 0 KKAFMO COc1ccc([C@H]2C[N@@H+](CCc3ccc(OC)c(OC)c3)C[C@@H]2CNC(=O)c2cccc(Cl)c2)cc1 ZINC000071316031 562717786 /nfs/dbraw/zinc/71/77/86/562717786.db2.gz IHXFHHOZRJEQBX-JYFHCDHNSA-N 1 1 509.046 5.054 1 0 KKAFMO CC(C)(C)c1[nH]c2c(cc(C(C)(C)C)cc2C(C)(C)C)c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc1ccccc1 ZINC000071316280 562717903 /nfs/dbraw/zinc/71/79/03/562717903.db2.gz VGDFCPGJKLCUFL-VMPREFPWSA-N 1 1 631.910 5.037 1 0 KKAFMO C[N@@H+](CC[C@H](F)CN1CCN(c2cccc(Cl)c2Cl)CC1)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000071330137 562719107 /nfs/dbraw/zinc/71/91/07/562719107.db2.gz KROSHEKWTTXFGB-DEOSSOPVSA-N 1 1 512.500 6.547 1 0 KKAFMO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331593 562719321 /nfs/dbraw/zinc/71/93/21/562719321.db2.gz WLNIVNVJKHJSOQ-FECOFQHFSA-N 1 1 577.899 7.421 1 0 KKAFMO C[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 ZINC000071333192 562719415 /nfs/dbraw/zinc/71/94/15/562719415.db2.gz VKSAXUHKZPMTJY-QSOCIONNSA-N 1 1 544.989 6.393 1 0 KKAFMO CCCc1nc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3Cl)CC2)cn1-c1ccc(Cl)cc1 ZINC000072105267 562720764 /nfs/dbraw/zinc/72/07/64/562720764.db2.gz YQLGOHFFIFDRCQ-UHFFFAOYSA-N 1 1 534.919 5.727 1 0 KKAFMO CCNC(=O)C(C)(C)[C@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072108921 562721504 /nfs/dbraw/zinc/72/15/04/562721504.db2.gz JKQLGKAFSYTJQH-REUBFRLUSA-N 1 1 614.221 6.951 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@H]2C(C)(C)C(=O)N(C)C)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110401 562721763 /nfs/dbraw/zinc/72/17/63/562721763.db2.gz ACNLYDWIFLWOSO-ZRRKCSAHSA-N 1 1 614.221 6.903 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2C[C@@H]3C[C@H]2CO3)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110312 562721789 /nfs/dbraw/zinc/72/17/89/562721789.db2.gz NHYXEQOGARNXDQ-YYWDGOAHSA-N 1 1 668.269 6.814 1 0 KKAFMO Cc1cc2c(cc1Cl)C1(C[C@@H]2C(C)(C)C(=O)N2CCC2)CCN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1 ZINC000072110364 562721804 /nfs/dbraw/zinc/72/18/04/562721804.db2.gz WUYZSYUIADONLK-GKRYNVPLSA-N 1 1 626.232 7.047 1 0 KKAFMO CC(=O)N(C)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110428 562721826 /nfs/dbraw/zinc/72/18/26/562721826.db2.gz OHBGZKGQZMYAOO-YIKNKFAXSA-N 1 1 614.221 7.045 1 0 KKAFMO CCNC(=O)C(C)(C)[C@@H]1CC2(CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)c2cc(Cl)c(C)cc21 ZINC000072110876 562721833 /nfs/dbraw/zinc/72/18/33/562721833.db2.gz JKQLGKAFSYTJQH-ZRRKCSAHSA-N 1 1 614.221 6.951 1 0 KKAFMO COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000072113428 562722391 /nfs/dbraw/zinc/72/23/91/562722391.db2.gz UXNWJLXUFSAETJ-IOWSJCHKSA-N 1 1 595.571 6.108 1 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072126825 562725435 /nfs/dbraw/zinc/72/54/35/562725435.db2.gz XBNMMIUYLLSXQW-TWUWCHPWSA-N 1 1 636.598 5.155 3 0 KKAFMO COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072126825 562725436 /nfs/dbraw/zinc/72/54/36/562725436.db2.gz XBNMMIUYLLSXQW-TWUWCHPWSA-N 1 1 636.598 5.155 3 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127732 562725868 /nfs/dbraw/zinc/72/58/68/562725868.db2.gz IXGXEPVYDMHUEI-BQYLNSIHSA-N 1 1 742.068 6.465 3 0 KKAFMO CC(C)C[C@@H](C[N@H+]1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128619 562726100 /nfs/dbraw/zinc/72/61/00/562726100.db2.gz LAZZTJJMWPLAFV-KWRMZWAXSA-N 1 1 692.052 6.562 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000072128753 562726278 /nfs/dbraw/zinc/72/62/78/562726278.db2.gz TXGYYWCQXDVHML-PQDHALMWSA-N 1 1 634.699 6.855 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(F)c2)CCN(C(=O)c2c(F)ccc(NS(C)(=O)=O)c2F)CC1 ZINC000072128831 562726312 /nfs/dbraw/zinc/72/63/12/562726312.db2.gz JBKRYXZRSADYOU-FITHBNAOSA-N 1 1 679.809 6.566 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128789 562726352 /nfs/dbraw/zinc/72/63/52/562726352.db2.gz ZMTRPPZPJFXNFP-CUPIEXAXSA-N 1 1 680.041 6.331 3 0 KKAFMO Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000072129821 562726452 /nfs/dbraw/zinc/72/64/52/562726452.db2.gz LRWZYUPRBGDZAM-ULJKERAFSA-N 1 1 714.254 7.097 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134884 562727383 /nfs/dbraw/zinc/72/73/83/562727383.db2.gz GSEAIWAWPQWVOK-WISKXVKBSA-N 1 1 730.057 6.233 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072135821 562727611 /nfs/dbraw/zinc/72/76/11/562727611.db2.gz YEAPJXOMCGCQBF-WISKXVKBSA-N 1 1 670.005 6.129 3 0 KKAFMO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000072136882 562728200 /nfs/dbraw/zinc/72/82/00/562728200.db2.gz LQNDJDYMUQINEC-WISKXVKBSA-N 1 1 670.005 6.129 3 0 KKAFMO Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072138339 562728743 /nfs/dbraw/zinc/72/87/43/562728743.db2.gz NOKGHPUTVAEQCP-SPWOZAQASA-N 1 1 696.043 6.663 3 0 KKAFMO COc1ccc(NC(=O)O[C@@H](C)[C@@H]2C[N@@H+]3CCc4c5cc(-c6ccc(OC)cc6)ccc5[nH]c4[C@@H]3C[C@@H]2N(C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000072139545 562728960 /nfs/dbraw/zinc/72/89/60/562728960.db2.gz FPMQIAHNVZSGRK-SVZJEEEDSA-N 1 1 703.840 7.950 3 0 KKAFMO COc1ccc(NC(=O)O[C@@H](C)[C@@H]2C[N@H+]3CCc4c5cc(-c6ccc(OC)cc6)ccc5[nH]c4[C@@H]3C[C@@H]2N(C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000072139545 562728961 /nfs/dbraw/zinc/72/89/61/562728961.db2.gz FPMQIAHNVZSGRK-SVZJEEEDSA-N 1 1 703.840 7.950 3 0 KKAFMO CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCC[N@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000072141174 562729301 /nfs/dbraw/zinc/72/93/01/562729301.db2.gz OHMGRBKOZJFUJS-GJBCSVNNSA-N 1 1 642.036 6.660 3 0 KKAFMO O=C(c1ccc(Cl)cc1)N(CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)C(=O)c1ccc(Cl)cc1 ZINC000072141683 562729411 /nfs/dbraw/zinc/72/94/11/562729411.db2.gz PTDGAWLCRMPGIX-UHFFFAOYSA-N 1 1 537.447 5.256 1 0 KKAFMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000072173235 562730848 /nfs/dbraw/zinc/73/08/48/562730848.db2.gz MDBJKEVTZVRTPR-KDXMTYKHSA-N 1 1 547.696 5.537 1 0 KKAFMO O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173261 562730869 /nfs/dbraw/zinc/73/08/69/562730869.db2.gz ARAUTCYYUOPIHD-RLDRVVDPSA-N 1 1 647.048 5.590 1 0 KKAFMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2)C1CCCCC1 ZINC000072173611 562731074 /nfs/dbraw/zinc/73/10/74/562731074.db2.gz RQRVPWMXIXVSBD-UHFFFAOYSA-N 1 1 548.152 7.036 1 0 KKAFMO CC[N@@H+](Cc1ccncc1)Cc1cccc(-c2ccc(CC[NH2+]CCc3ccc([O-])c4[nH]c(=O)sc43)cc2)c1 ZINC000073197804 562735481 /nfs/dbraw/zinc/73/54/81/562735481.db2.gz LVCVCTIAAMQWIR-UHFFFAOYSA-N 1 1 538.717 5.754 1 0 KKAFMO C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@H]2CCC[N@@H+](CCOc3cccc(-c4ccccc4)c3)C2)C1=O ZINC000073199725 562736010 /nfs/dbraw/zinc/73/60/10/562736010.db2.gz XWWBOYDUGHVMQG-ZEQRLZLVSA-N 1 1 526.633 5.201 1 0 KKAFMO COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4Cc3ccc(O)cc3)[C@H](C2)N1C ZINC000073274173 562737212 /nfs/dbraw/zinc/73/72/12/562737212.db2.gz WQYVZFLXYIOFCT-AYQJTBPPSA-N 1 1 638.761 6.523 1 0 KKAFMO O=C(OCC1=CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000073389842 562738583 /nfs/dbraw/zinc/73/85/83/562738583.db2.gz ZAZGMTKMFFNBAG-MUUNZHRXSA-N 1 1 522.645 5.231 1 0 KKAFMO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2cccc(Cl)c2)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082140801 562739608 /nfs/dbraw/zinc/73/96/08/562739608.db2.gz RRTHUXAZNUOCHY-WJOKGBTCSA-N 1 1 659.605 5.898 1 0 KKAFMO O=C([C@H]1CNCC(=O)N1c1ccc(CCCOc2c(F)ccc(F)c2F)cc1)N(Cc1cc(CC[NH2+]CC(F)F)ccc1Cl)C1CC1 ZINC000082149279 562739715 /nfs/dbraw/zinc/73/97/15/562739715.db2.gz DVIJKGHPXHCHMH-GDLZYMKVSA-N 1 1 679.130 5.662 1 0 KKAFMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc3c(c2C(C)C)CC[C@H]2C(C)(C)CCC[C@]32C)CC1 ZINC000082155568 562740569 /nfs/dbraw/zinc/74/05/69/562740569.db2.gz ZRYSKVYZNMILIT-VFKUOZEOSA-N 1 1 548.812 6.801 1 0 KKAFMO CCOc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc3c(c2C(C)C)CC[C@H]2C(C)(C)CCC[C@]32C)CC1 ZINC000082155564 562740580 /nfs/dbraw/zinc/74/05/80/562740580.db2.gz ZRYSKVYZNMILIT-GFPVVPEVSA-N 1 1 548.812 6.801 1 0 KKAFMO O=C1C[C@H](NCCC[NH2+][C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196880 562742820 /nfs/dbraw/zinc/74/28/20/562742820.db2.gz XJPIHZDMMXEDHA-BQBZGAKWSA-N 1 1 662.061 6.384 1 0 KKAFMO CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CC[NH+](C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595489 562743580 /nfs/dbraw/zinc/74/35/80/562743580.db2.gz DYCREHHMIKZXHW-LEFKNYOOSA-N 1 1 626.764 6.629 1 0 KKAFMO Cc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)NCCCCCCCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000084603249 562744154 /nfs/dbraw/zinc/74/41/54/562744154.db2.gz JAHLECOUHIQGMD-UHFFFAOYSA-N 1 1 592.832 6.905 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084617260 562744847 /nfs/dbraw/zinc/74/48/47/562744847.db2.gz ZFTVPSJPUDCIHD-LJQANCHMSA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@@H](C)C3)ns2)n1 ZINC000084617260 562744848 /nfs/dbraw/zinc/74/48/48/562744848.db2.gz ZFTVPSJPUDCIHD-LJQANCHMSA-N 1 1 623.709 5.668 1 0 KKAFMO Cc1cc(C2CCN(C(=O)[C@@H]3C[N@H+](C(C)(C)C)C[C@H]3c3ccc(F)cc3F)CC2)n(-c2ccc(C)c(Cl)c2)n1 ZINC000084618025 562744996 /nfs/dbraw/zinc/74/49/96/562744996.db2.gz ZNXQGTBBKARIEB-IZZNHLLZSA-N 1 1 555.113 6.641 1 0 KKAFMO Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c(Nc2cc(C[N@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632647 562745588 /nfs/dbraw/zinc/74/55/88/562745588.db2.gz VSDJQVBNLIHGKB-SFHVURJKSA-N 1 1 538.685 5.258 1 0 KKAFMO Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c(Nc2cc(C[N@@H+]3CCC[C@H](C)C3)ns2)n1 ZINC000084632647 562745589 /nfs/dbraw/zinc/74/55/89/562745589.db2.gz VSDJQVBNLIHGKB-SFHVURJKSA-N 1 1 538.685 5.258 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2cccc3ccccc32)/C(=C/c2cccc3ccccc23)C1 ZINC000084670040 562748160 /nfs/dbraw/zinc/74/81/60/562748160.db2.gz KNVRDGWTVXRYGM-QNLLLTNSSA-N 1 1 664.809 9.899 1 0 KKAFMO C[C@H](c1ccccc1)[N@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670395 562748245 /nfs/dbraw/zinc/74/82/45/562748245.db2.gz BXEHYDYEJHQFHL-XVIGSOJZSA-N 1 1 668.024 9.553 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670395 562748246 /nfs/dbraw/zinc/74/82/46/562748246.db2.gz BXEHYDYEJHQFHL-XVIGSOJZSA-N 1 1 668.024 9.553 1 0 KKAFMO O=C(CN1CCCC1)Nc1ccc(-n2cc(-c3ccc4ccc(-c5cn(-c6ccc(NC(=O)C[NH+]7CCCC7)cc6)nn5)cc4c3)nn2)cc1 ZINC000084688338 562749195 /nfs/dbraw/zinc/74/91/95/562749195.db2.gz YEWJKHPMDVIGCJ-UHFFFAOYSA-N 1 1 666.790 5.404 1 0 KKAFMO CC(C)[N@@H+](C)[C@@H]1CC[C@H](N2CC[C@@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690061 562749474 /nfs/dbraw/zinc/74/94/74/562749474.db2.gz HGGQOKYQEVUFKC-VTKNMLBTSA-N 1 1 576.685 5.249 1 0 KKAFMO CC[N@@H+](C(C)C)[C@@H]1CC[C@H](N2CC[C@H](c3nc4c(cccc4C(F)(F)F)[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000084690062 562749480 /nfs/dbraw/zinc/74/94/80/562749480.db2.gz PWPZLEJFRYZEQC-PLVHLFARSA-N 1 1 590.712 5.639 1 0 KKAFMO O[C@@](Cn1cncn1)(C[N@@H+](CCCOc1ccc(Br)cc1)Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000084706900 562750010 /nfs/dbraw/zinc/75/00/10/562750010.db2.gz DYDKUOPDSUSUNV-HHHXNRCGSA-N 1 1 575.429 5.317 1 0 KKAFMO Cc1ccc(C[N@@H+](CCCOc2ccc(Br)cc2)C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 ZINC000084706906 562750018 /nfs/dbraw/zinc/75/00/18/562750018.db2.gz NMAPRFKGBGQHBH-NDEPHWFRSA-N 1 1 571.466 5.486 1 0 KKAFMO COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000084712709 562750816 /nfs/dbraw/zinc/75/08/16/562750816.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 1 1 664.799 7.035 1 0 KKAFMO COc1ccc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)[N@@H+](C)CC4)c2c1-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000084712709 562750817 /nfs/dbraw/zinc/75/08/17/562750817.db2.gz KBEXONGJLNVSDE-SVBPBHIXSA-N 1 1 664.799 7.035 1 0 KKAFMO C[C@H](c1ccccc1)[N@@H+]1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724576 562751183 /nfs/dbraw/zinc/75/11/83/562751183.db2.gz HNULYTNKPUHCGU-HMUOYXPCSA-N 1 1 564.689 7.592 1 0 KKAFMO COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2C=C[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000084884073 562753119 /nfs/dbraw/zinc/75/31/19/562753119.db2.gz DAGRHBYUCYVLNY-WDYNHAJCSA-N 1 1 536.503 6.041 1 0 KKAFMO Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CC[N@H+](CCCCCCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2 ZINC000095538448 562754775 /nfs/dbraw/zinc/75/47/75/562754775.db2.gz DERHYILBHUKLGL-VMPBLTEISA-N 1 1 810.805 6.531 1 0 in-vivo KKAFMO CC(C)C[N@@H+](Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000095540241 562755587 /nfs/dbraw/zinc/75/55/87/562755587.db2.gz LOMAZTFGYVJFGL-WINTZHOJSA-N 1 1 812.939 8.358 1 0 KKAFMO O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C2=[NH+]CCS2)CC1 ZINC000095551998 562760550 /nfs/dbraw/zinc/76/05/50/562760550.db2.gz LAHDHWHQCAYOMU-UHFFFAOYSA-N 1 1 745.818 7.742 1 0 KKAFMO Fc1cc([C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)c2ccc(Cl)cc2)ccc1C[NH+]1CCCC1 ZINC000095555497 562761559 /nfs/dbraw/zinc/76/15/59/562761559.db2.gz FYYHDKQPTNFAPC-HHHXNRCGSA-N 1 1 513.966 7.843 1 0 KKAFMO Nc1sc(-c2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556225 562761696 /nfs/dbraw/zinc/76/16/96/562761696.db2.gz FNQCXAQRTNNRHC-UHFFFAOYSA-N 1 1 556.946 7.511 1 0 KKAFMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)NCc1ccc(Cl)cc1 ZINC000095557039 562761926 /nfs/dbraw/zinc/76/19/26/562761926.db2.gz HVOHLZRJSNDUAD-QJKWIJLYSA-N 1 1 664.312 7.384 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095566273 562764843 /nfs/dbraw/zinc/76/48/43/562764843.db2.gz PKQAAOKAAVIVOG-YIIHMFSRSA-N 1 1 694.789 5.246 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095566317 562764889 /nfs/dbraw/zinc/76/48/89/562764889.db2.gz UEDLRIRBQUSIHX-URCPOSBSSA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095566423 562764939 /nfs/dbraw/zinc/76/49/39/562764939.db2.gz AOGINIYPPPQZNW-CQKZLPGDSA-N 1 1 702.856 5.546 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095566846 562765303 /nfs/dbraw/zinc/76/53/03/562765303.db2.gz RBOAJFBNHJWMOW-DOKVQHETSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095566902 562765363 /nfs/dbraw/zinc/76/53/63/562765363.db2.gz IXNRSUPNSZLJQC-AODHNJGLSA-N 1 1 700.840 6.670 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567054 562765485 /nfs/dbraw/zinc/76/54/85/562765485.db2.gz HOPYMWLRLXEYET-KFDAFQGLSA-N 1 1 708.816 5.175 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)CCCCCC(=O)Nc3ccccc3N)cccc2C1=O ZINC000095567557 562765937 /nfs/dbraw/zinc/76/59/37/562765937.db2.gz IFLLFBGKWUQYRJ-CNIZKOLKSA-N 1 1 721.899 6.941 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2CC1=O ZINC000095567902 562766184 /nfs/dbraw/zinc/76/61/84/562766184.db2.gz UEDLRIRBQUSIHX-FNFPNEPISA-N 1 1 642.675 5.359 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568025 562766214 /nfs/dbraw/zinc/76/62/14/562766214.db2.gz TWOWYTAAZQEFAQ-NPPPIGHJSA-N 1 1 634.802 6.568 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568234 562766417 /nfs/dbraw/zinc/76/64/17/562766417.db2.gz MLNWPGCJBNVZPL-BCWKHWSNSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568234 562766418 /nfs/dbraw/zinc/76/64/18/562766418.db2.gz MLNWPGCJBNVZPL-BCWKHWSNSA-N 1 1 706.265 5.327 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095568332 562766526 /nfs/dbraw/zinc/76/65/26/562766526.db2.gz CMTIPOGQFXEGCZ-AZAGJHQNSA-N 1 1 655.840 5.321 1 0 KKAFMO CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)C[N@H+]3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095568350 562766579 /nfs/dbraw/zinc/76/65/79/562766579.db2.gz VFZKAXWKAPYYIB-BSUMSBOOSA-N 1 1 748.075 6.724 3 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095568589 562766732 /nfs/dbraw/zinc/76/67/32/562766732.db2.gz FGZYRMRERWZGKV-YHGPEZAFSA-N 1 1 614.665 5.710 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2Oc3c(NC(=O)Nc4ccc(C(F)(F)F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095568591 562766754 /nfs/dbraw/zinc/76/67/54/562766754.db2.gz FGZYRMRERWZGKV-GGJMMHKRSA-N 1 1 614.665 5.710 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc(F)cc3)cccc2C1=O ZINC000095568871 562766917 /nfs/dbraw/zinc/76/69/17/562766917.db2.gz NPROPWLENAWEMC-RNDKRWLGSA-N 1 1 610.730 6.489 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3nc4ccccc4s3)cccc2C1=O ZINC000095568899 562767039 /nfs/dbraw/zinc/76/70/39/562767039.db2.gz QLYAZMSBNLAUET-JOUUIMRQSA-N 1 1 692.842 5.735 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095569801 562767707 /nfs/dbraw/zinc/76/77/07/562767707.db2.gz MNZYSAQRTSNRPQ-RNDKRWLGSA-N 1 1 664.224 6.285 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095569801 562767708 /nfs/dbraw/zinc/76/77/08/562767708.db2.gz MNZYSAQRTSNRPQ-RNDKRWLGSA-N 1 1 664.224 6.285 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C1=O ZINC000095570192 562768003 /nfs/dbraw/zinc/76/80/03/562768003.db2.gz WPPOVSPAEBFYOJ-ISVMRZDUSA-N 1 1 652.748 6.204 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095570975 562768700 /nfs/dbraw/zinc/76/87/00/562768700.db2.gz UIWHTZIAIXNFGN-XLCATFGMSA-N 1 1 718.880 6.249 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095571036 562768706 /nfs/dbraw/zinc/76/87/06/562768706.db2.gz ILXAKKDOMJRPPA-RXEHIIAQSA-N 1 1 624.562 5.285 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095571121 562768781 /nfs/dbraw/zinc/76/87/81/562768781.db2.gz VYACBIYDVUCBDQ-BIALHBOASA-N 1 1 641.017 5.800 1 0 KKAFMO CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095571249 562768865 /nfs/dbraw/zinc/76/88/65/562768865.db2.gz DZGZFXRKNSZUSK-MKGJDZFWSA-N 1 1 573.738 5.285 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095571206 562768900 /nfs/dbraw/zinc/76/89/00/562768900.db2.gz WZRJGOIAGUHCGN-FSQFJQELSA-N 1 1 653.529 7.008 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O ZINC000095571461 562769070 /nfs/dbraw/zinc/76/90/70/562769070.db2.gz XHCFGJIATIGRMD-JQASONJCSA-N 1 1 650.780 5.517 1 0 KKAFMO CN(CCCCCCCC[N@@H+](C)Cc1ccccc1)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O ZINC000095573564 562769736 /nfs/dbraw/zinc/76/97/36/562769736.db2.gz QSCUQGSALNRSCA-UHFFFAOYSA-N 1 1 559.758 7.308 1 0 KKAFMO COc1cc2nc(Nc3ccc(S(C)(=O)=O)cc3)nc(N3CC[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)c2cc1OC ZINC000095586269 562773886 /nfs/dbraw/zinc/77/38/86/562773886.db2.gz KODPGXXJIKNGCP-RPWUZVMVSA-N 1 1 573.719 5.037 1 0 KKAFMO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc4c(c3)scc4[S@](C)=O)c(-c3ccncc3)[nH]2)cc1 ZINC000095589129 562774830 /nfs/dbraw/zinc/77/48/30/562774830.db2.gz RENJVVIMBVMZFF-PGUFJCEWSA-N 1 1 502.665 5.698 1 0 KKAFMO Cc1cc(N2CCN(C)CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(C)cc(N5CC[NH+](C)CC5)n4)cc3)cc2)n1 ZINC000095594325 562776430 /nfs/dbraw/zinc/77/64/30/562776430.db2.gz AQCPIRFDWIJTBW-UHFFFAOYSA-N 1 1 666.875 5.502 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598739 562777508 /nfs/dbraw/zinc/77/75/08/562777508.db2.gz VEPDEMYFDLWGKS-QVEDPAKJSA-N 1 1 699.842 5.283 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095599293 562777971 /nfs/dbraw/zinc/77/79/71/562777971.db2.gz LYMUYLCMDRKWKZ-KAUPTSPVSA-N 1 1 601.791 7.002 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)CCCCCC(=O)Nc3ccccc3N)cc2CC1=O ZINC000095599409 562778076 /nfs/dbraw/zinc/77/80/76/562778076.db2.gz STCNQGKHPZHYJD-SCZOVYFASA-N 1 1 711.826 6.096 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccncc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599875 562778408 /nfs/dbraw/zinc/77/84/08/562778408.db2.gz ZKPAWGOFKUDAFA-BWDKEVCWSA-N 1 1 685.788 6.672 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095599885 562778431 /nfs/dbraw/zinc/77/84/31/562778431.db2.gz BUVQCSUCFPTBFF-XNSHOJTPSA-N 1 1 572.750 6.216 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C1=O ZINC000095599924 562778444 /nfs/dbraw/zinc/77/84/44/562778444.db2.gz CHFYKRHHVBHPRB-SUCLBKFRSA-N 1 1 685.693 7.565 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600350 562778826 /nfs/dbraw/zinc/77/88/26/562778826.db2.gz XGMQKVJTWVADHD-MCYUDXQTSA-N 1 1 714.826 7.286 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095600528 562778946 /nfs/dbraw/zinc/77/89/46/562778946.db2.gz WSWWOBQXWOAKQJ-FLGDYYPQSA-N 1 1 637.608 6.018 1 0 KKAFMO 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)Cc3ccccc3)cc2C1=O ZINC000095600652 562779094 /nfs/dbraw/zinc/77/90/94/562779094.db2.gz KTOLAWMRFLMANX-WKOYJDCPSA-N 1 1 683.812 6.814 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)Nc4cccc5ccccc54)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600841 562779284 /nfs/dbraw/zinc/77/92/84/562779284.db2.gz KGUBXXXSQYSQMA-DDAOWKICSA-N 1 1 696.889 7.420 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095600963 562779365 /nfs/dbraw/zinc/77/93/65/562779365.db2.gz AFYWTTPVIQZCSA-BNGFFDTHSA-N 1 1 678.802 6.126 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O ZINC000095600984 562779388 /nfs/dbraw/zinc/77/93/88/562779388.db2.gz ORNNHAIJDBYIOA-CGQTXMLISA-N 1 1 590.592 5.793 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601295 562779549 /nfs/dbraw/zinc/77/95/49/562779549.db2.gz MDVGURPVGABTFV-SOTYFPCESA-N 1 1 610.711 5.565 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095601658 562779656 /nfs/dbraw/zinc/77/96/56/562779656.db2.gz FKTABSPDLVGIRZ-LXKQQKLJSA-N 1 1 710.872 7.140 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095601617 562779677 /nfs/dbraw/zinc/77/96/77/562779677.db2.gz KMMQDOVCDINFEJ-KAUPTSPVSA-N 1 1 657.833 5.869 1 0 KKAFMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095601957 562779835 /nfs/dbraw/zinc/77/98/35/562779835.db2.gz JULLQOCSFVORMO-JDJCDPLLSA-N 1 1 681.896 5.732 1 0 KKAFMO 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)c3ccccc3)cc2C1=O ZINC000095602405 562780042 /nfs/dbraw/zinc/78/00/42/562780042.db2.gz KVYNYDNSHYPGTF-GMERYBDXSA-N 1 1 669.785 6.885 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O ZINC000095602375 562780072 /nfs/dbraw/zinc/78/00/72/562780072.db2.gz NILCQTKEVAIMRT-NWWIOOOSSA-N 1 1 613.884 6.513 1 0 KKAFMO COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095602663 562780131 /nfs/dbraw/zinc/78/01/31/562780131.db2.gz JRHQODKPGBTKIY-CGQTXMLISA-N 1 1 614.665 5.710 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603051 562780348 /nfs/dbraw/zinc/78/03/48/562780348.db2.gz QMWRRMYICQUONI-FQWYTPLZSA-N 1 1 627.807 5.435 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095603454 562780544 /nfs/dbraw/zinc/78/05/44/562780544.db2.gz UFTUBZJHXRESLK-HOPFVHLTSA-N 1 1 724.723 6.861 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095604076 562780814 /nfs/dbraw/zinc/78/08/14/562780814.db2.gz PMSXCOZUFRLTET-VIPXIGFPSA-N 1 1 660.737 7.369 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)CC2CCCCC2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095604554 562781061 /nfs/dbraw/zinc/78/10/61/562781061.db2.gz PEUKOTPXCYQHOA-ZIZQKJAQSA-N 1 1 690.848 7.657 1 0 KKAFMO Oc1ccc(C[C@@H](C[N@H+]2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604542 562781063 /nfs/dbraw/zinc/78/10/63/562781063.db2.gz WOMGVMCAFXSGAU-SPWOZAQASA-N 1 1 696.043 6.663 3 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095605358 562781477 /nfs/dbraw/zinc/78/14/77/562781477.db2.gz RBOAJFBNHJWMOW-BWLKTWDLSA-N 1 1 684.800 7.277 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605414 562781533 /nfs/dbraw/zinc/78/15/33/562781533.db2.gz UFTUBZJHXRESLK-MEEIBLSFSA-N 1 1 724.723 6.861 1 0 KKAFMO C[NH+](C)CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)c1 ZINC000095605529 562781617 /nfs/dbraw/zinc/78/16/17/562781617.db2.gz HANZKDSBPBFJQB-XMMPIXPASA-N 1 1 507.594 5.202 1 0 KKAFMO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095605639 562781637 /nfs/dbraw/zinc/78/16/37/562781637.db2.gz ISGWUMSRLISZDA-IHLWBQKJSA-N 1 1 720.760 7.030 1 0 KKAFMO CCOc1ccc(Cc2cc(C3CC[NH+](C[C@H]4C[N@H+]([C@@H](C(=O)[O-])[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000095606418 562782058 /nfs/dbraw/zinc/78/20/58/562782058.db2.gz HBHXAVXLZKWCKM-PBFQYQTBSA-N 1 1 622.801 6.565 1 0 KKAFMO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cc2cnccc2s1)C[C@H](O)CN1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)s2)C[C@H]1C(=O)NCC(F)(F)F ZINC000095606783 562782424 /nfs/dbraw/zinc/78/24/24/562782424.db2.gz ANNUMOOPAZTSPK-PDUYYWEESA-N 1 1 828.379 6.064 1 0 KKAFMO O=C(CC[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000095614490 562786666 /nfs/dbraw/zinc/78/66/66/562786666.db2.gz KOAGFJSMKSODGC-XPUZFRJZSA-N 1 1 793.887 6.344 1 0 KKAFMO COc1cc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn32)n1 ZINC000095615148 562787141 /nfs/dbraw/zinc/78/71/41/562787141.db2.gz BOJLJYRVWHJBLQ-MKPDMIMOSA-N 1 1 744.847 7.819 1 0 KKAFMO CCc1cc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn43)n2)c(OC)cc1N1CCC([NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000095615196 562787166 /nfs/dbraw/zinc/78/71/66/562787166.db2.gz SKFDSQFYKXYVPS-UHFFFAOYSA-N 1 1 821.955 6.849 1 0 KKAFMO C[N@@H+](CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000095670061 562788246 /nfs/dbraw/zinc/78/82/46/562788246.db2.gz YWKQKXOEKQEVAI-WIOPSUGQSA-N 1 1 527.505 6.606 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)[N@@H+](Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688963 562788408 /nfs/dbraw/zinc/78/84/08/562788408.db2.gz JEZVAYALKLQWEA-ISTJGCCRSA-N 1 1 558.723 5.493 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@H+](Cc1cc(-c3ccccc3)on1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693633 562788525 /nfs/dbraw/zinc/78/85/25/562788525.db2.gz PSLHRRXQPKXPKM-IEOSBIPESA-N 1 1 548.684 5.086 1 0 KKAFMO CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)[N@@H+](Cc1cc(-c3ccccc3)on1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693633 562788526 /nfs/dbraw/zinc/78/85/26/562788526.db2.gz PSLHRRXQPKXPKM-IEOSBIPESA-N 1 1 548.684 5.086 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccccc3)cc2CC1=O ZINC000095782198 562789061 /nfs/dbraw/zinc/78/90/61/562789061.db2.gz RKGZPYZYFFYRHI-RYOMNGFGSA-N 1 1 606.767 6.279 1 0 KKAFMO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)OCc2ccccc2-c2ccccc2C1=O ZINC000095797999 562789164 /nfs/dbraw/zinc/78/91/64/562789164.db2.gz CRAILXCFJDOKOF-TVUFSCHNSA-N 1 1 548.727 6.511 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1cccc(SC(F)(F)F)c1 ZINC000095842786 562789427 /nfs/dbraw/zinc/78/94/27/562789427.db2.gz CYZMKOGILQUQRZ-UHFFFAOYSA-N 1 1 536.019 6.675 1 0 KKAFMO O=C(OCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000095842790 562789469 /nfs/dbraw/zinc/78/94/69/562789469.db2.gz KNIBZGLUNOLSGN-UHFFFAOYSA-N 1 1 555.000 6.630 1 0 KKAFMO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095853745 562789550 /nfs/dbraw/zinc/78/95/50/562789550.db2.gz YLCYRDPZGWCEPF-ISVMRZDUSA-N 1 1 631.770 5.646 1 0 KKAFMO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@@H+](C)Cc2cccc(C(=O)Nc3ccccc3N)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095867160 562789806 /nfs/dbraw/zinc/78/98/06/562789806.db2.gz WCXPCWVVNYKWAF-DXZWXPFGSA-N 1 1 659.831 6.170 1 0 KKAFMO C[C@H](CO)N1C[C@@H](C)[C@@H](C[N@@H+](C)Cc2cccc(O)c2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095869020 562789931 /nfs/dbraw/zinc/78/99/31/562789931.db2.gz DXNHWVNJBJSZGC-IQLGONJTSA-N 1 1 541.692 5.041 1 0 KKAFMO Cc1[nH]nc2nc(Nc3cc(C)c(C4CC[NH+]([C@@H]5CCS(=O)(=O)C5)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12 ZINC000096177934 562792548 /nfs/dbraw/zinc/79/25/48/562792548.db2.gz KIMNJAINAKNBNF-RUZDIDTESA-N 1 1 695.912 5.793 1 0 KKAFMO C[C@@H](Sc1cc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000096285940 562795963 /nfs/dbraw/zinc/79/59/63/562795963.db2.gz ZLRHPCBASMAWBT-OAHLLOKOSA-N 1 1 519.473 6.018 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)C[NH+]1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907740 562799195 /nfs/dbraw/zinc/79/91/95/562799195.db2.gz DUMWFMFWWQGRCL-XZJHWRHTSA-N 1 1 664.644 7.035 1 0 KKAFMO COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)C[NH+]1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907736 562799218 /nfs/dbraw/zinc/79/92/18/562799218.db2.gz IZDKLOCKHFWMCL-GPNASLBKSA-N 1 1 588.546 5.445 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@H+](C)[C@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908708 562799447 /nfs/dbraw/zinc/79/94/47/562799447.db2.gz ZEYRMSIQYBSOGW-KBVCYFDGSA-N 1 1 654.708 6.778 1 0 KKAFMO CC(C)C1=C(C(=O)N2[C@H](C)CC[C@H]2C(=O)N2CC[N@@H+](C)[C@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908708 562799448 /nfs/dbraw/zinc/79/94/48/562799448.db2.gz ZEYRMSIQYBSOGW-KBVCYFDGSA-N 1 1 654.708 6.778 1 0 KKAFMO O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(C[NH2+]CCN3CCOCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096909369 562799581 /nfs/dbraw/zinc/79/95/81/562799581.db2.gz CGZKASFDODJTRW-UHFFFAOYSA-N 1 1 733.836 5.959 1 0 KKAFMO COc1cc(Oc2cccc(C)c2)ccc1C(=O)N[C@H](C[N@H+]1CCN(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000096909587 562799588 /nfs/dbraw/zinc/79/95/88/562799588.db2.gz JOLILRFQTWUIAW-MUAVYFROSA-N 1 1 517.670 5.467 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1O ZINC000096910121 562799828 /nfs/dbraw/zinc/79/98/28/562799828.db2.gz UWUBMHUIGQQPRR-WXVAWEFUSA-N 1 1 503.643 5.164 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2O)c1 ZINC000096910127 562799886 /nfs/dbraw/zinc/79/98/86/562799886.db2.gz AAFKOXZJMUODRO-WXVAWEFUSA-N 1 1 503.643 5.164 1 0 KKAFMO Cc1cccc(Oc2ccc(C(=O)N[C@H](C[N@H+]3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2C)c1 ZINC000096910125 562799893 /nfs/dbraw/zinc/79/98/93/562799893.db2.gz GAVRUFCVOFAUMT-PWUYWRBVSA-N 1 1 501.671 5.766 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2nccc(-c3ccc(F)cc3F)n2)cc1F ZINC000096932301 562803367 /nfs/dbraw/zinc/80/33/67/562803367.db2.gz VCWOWUANEXJIDO-UHFFFAOYSA-N 1 1 645.638 6.263 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCN(C)CC1)nccc2Oc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)ccn2)cc1F ZINC000096932631 562803457 /nfs/dbraw/zinc/80/34/57/562803457.db2.gz JQESHMSPVFAHPG-UHFFFAOYSA-N 1 1 639.703 6.645 1 0 KKAFMO CN1CCN(CCC[NH2+]Cc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938538 562804495 /nfs/dbraw/zinc/80/44/95/562804495.db2.gz UPOKKAQGPFJERF-UHFFFAOYSA-N 1 1 541.540 5.184 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccccc1 ZINC000096939391 562804755 /nfs/dbraw/zinc/80/47/55/562804755.db2.gz QFIJRPPWZAIMLZ-SANMLTNESA-N 1 1 565.061 5.434 1 0 KKAFMO C[N@@H+](CCNc1ccnc2cc(Cl)ccc21)CCN1C(=O)C(CC(F)(F)F)=C[C@]1(O)CSc1ccc(Cl)cc1 ZINC000096939389 562804768 /nfs/dbraw/zinc/80/47/68/562804768.db2.gz NKPNQEOGFCIQAF-SANMLTNESA-N 1 1 599.506 6.087 1 0 KKAFMO CC(=O)N1CCc2c(nc(C)n2[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCN(C(=O)Nc2ccc(Cl)cc2)c2ccccc2)C1 ZINC000100076210 562806635 /nfs/dbraw/zinc/80/66/35/562806635.db2.gz MEEIOMOVAFXLEY-PKQPGRETSA-N 1 1 575.157 6.046 1 0 KKAFMO CCCCN(CC)C(=O)c1ccc(N(c2ccccc2)[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CCc2ccccc2)cc1 ZINC000100855453 562808260 /nfs/dbraw/zinc/80/82/60/562808260.db2.gz SVDXJNLRJICFPC-VZRBIBDDSA-N 1 1 509.738 7.325 1 0 KKAFMO COC(=O)[C@H](c1ccccc1)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193597 562809833 /nfs/dbraw/zinc/80/98/33/562809833.db2.gz DOKCTIDKDIKECV-AXMAENODSA-N 1 1 576.785 6.851 1 0 KKAFMO COC(=O)[C@H](c1cccc(C)c1C)N1CCC(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193603 562809923 /nfs/dbraw/zinc/80/99/23/562809923.db2.gz FJROMRAVXXGMPG-VZSQVBSCSA-N 1 1 604.839 7.468 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@@H+]5[C@H]23)C4)N1 ZINC000101892967 562812320 /nfs/dbraw/zinc/81/23/20/562812320.db2.gz BQIVPPWUXSHORF-XBYDVLEOSA-N 1 1 610.843 5.579 1 0 KKAFMO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](C2=C[C@@]3(O)CC/C=C\CCCC[NH+]4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCC[N@H+]5[C@H]23)C4)N1 ZINC000101892967 562812321 /nfs/dbraw/zinc/81/23/21/562812321.db2.gz BQIVPPWUXSHORF-XBYDVLEOSA-N 1 1 610.843 5.579 1 0 KKAFMO Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C)(CN(C)C(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000103227158 562817852 /nfs/dbraw/zinc/81/78/52/562817852.db2.gz SCNLACQHVSYICA-PJMCFOBISA-N 1 1 562.749 7.145 1 0 KKAFMO CCC[N@@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000103239349 562819313 /nfs/dbraw/zinc/81/93/13/562819313.db2.gz VQUKELFGZIHDQR-UHFFFAOYSA-N 1 1 532.628 6.092 1 0 KKAFMO CCC[N@@H+](Cc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000103239345 562819325 /nfs/dbraw/zinc/81/93/25/562819325.db2.gz QDGJGZABKMERAG-UHFFFAOYSA-N 1 1 520.739 6.371 1 0 KKAFMO C[NH+](C)CCN1CCN(C2=Nc3ccccc3[C@@H](CC(=O)NCc3ccccn3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000103240389 562819475 /nfs/dbraw/zinc/81/94/75/562819475.db2.gz FKWTWWTVDIYNOD-UUWRZZSWSA-N 1 1 587.772 5.183 1 0 KKAFMO Cc1ccc(C[N@@H+](C)Cc2ccccc2)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000103241209 562819561 /nfs/dbraw/zinc/81/95/61/562819561.db2.gz ZKEUVZANLIVPOD-UHFFFAOYSA-N 1 1 611.668 8.287 1 0 KKAFMO OC[C@H](O)C[N@H+]1[C@@H](CCc2ccc(Cl)cc2Cl)CCC[C@H]1CCc1ccc(Cl)cc1Cl ZINC000103297270 562824596 /nfs/dbraw/zinc/82/45/96/562824596.db2.gz QZTIHPDSTDDSTG-BHIFYINESA-N 1 1 505.313 6.442 1 0 KKAFMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)c(O)c1-3 ZINC000103298221 562824772 /nfs/dbraw/zinc/82/47/72/562824772.db2.gz QYSHFCPJVHYHPL-XMMPIXPASA-N 1 1 537.701 5.115 1 0 KKAFMO C[NH+](C)[C@@H]1CCN(c2ccc(Nc3c4cc(-c5cc(F)c(O)c(Cl)c5)ccc4ncc3S(C)(=O)=O)cn2)C1 ZINC000114036063 562827042 /nfs/dbraw/zinc/82/70/42/562827042.db2.gz RPSPACNZMNRZFL-LJQANCHMSA-N 1 1 556.063 5.082 1 0 KKAFMO C[NH2+][C@H]1CCN(c2ccc(Nc3c(C(C)=O)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc43)cn2)C1 ZINC000114038432 562827348 /nfs/dbraw/zinc/82/73/48/562827348.db2.gz HVDIRHNKXLIIAK-IBGZPJMESA-N 1 1 505.981 5.539 1 0 KKAFMO CCOc1ccccc1C[N@H+]1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099117 562827607 /nfs/dbraw/zinc/82/76/07/562827607.db2.gz FYBDLDRPZFWUMY-HSZRJFAPSA-N 1 1 501.067 5.407 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000114099113 562827664 /nfs/dbraw/zinc/82/76/64/562827664.db2.gz KSSVWQLBAPLEAC-MHZLTWQESA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000114099113 562827665 /nfs/dbraw/zinc/82/76/65/562827665.db2.gz KSSVWQLBAPLEAC-MHZLTWQESA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000114099115 562827667 /nfs/dbraw/zinc/82/76/67/562827667.db2.gz KSSVWQLBAPLEAC-HHHXNRCGSA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000114099115 562827668 /nfs/dbraw/zinc/82/76/68/562827668.db2.gz KSSVWQLBAPLEAC-HHHXNRCGSA-N 1 1 510.078 5.422 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101239 562827773 /nfs/dbraw/zinc/82/77/73/562827773.db2.gz GBELKCLUWOPVDY-MHZLTWQESA-N 1 1 524.105 5.432 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1C[N@@H+](Cc2cccc3ccn(C)c32)CCO1 ZINC000114101239 562827774 /nfs/dbraw/zinc/82/77/74/562827774.db2.gz GBELKCLUWOPVDY-MHZLTWQESA-N 1 1 524.105 5.432 1 0 KKAFMO CC(=O)Oc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114101159 562827823 /nfs/dbraw/zinc/82/78/23/562827823.db2.gz VICCPXIMFPISQJ-XMMPIXPASA-N 1 1 529.077 5.323 1 0 KKAFMO O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2)c1cccnc1 ZINC000114981064 562828631 /nfs/dbraw/zinc/82/86/31/562828631.db2.gz ZAPVWTHLWAWRAE-HHHXNRCGSA-N 1 1 547.080 6.032 1 0 KKAFMO O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)nc1)c1cccs1 ZINC000114983518 562828672 /nfs/dbraw/zinc/82/86/72/562828672.db2.gz DVQRBUZCOFJFNO-MHZLTWQESA-N 1 1 552.121 6.698 1 0 KKAFMO Cn1cc(-c2cc(F)cc(N3CCc4c5c(sc4C3=O)CC(C)(C)C5)c2CO)cc(Nc2ccc([C@@H]3CCC[N@H+]3C)cn2)c1=O ZINC000116055357 562829203 /nfs/dbraw/zinc/82/92/03/562829203.db2.gz IDITYFDOXWBOKM-NDEPHWFRSA-N 1 1 627.786 5.978 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC([N@@H+](C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789037 562830592 /nfs/dbraw/zinc/83/05/92/562830592.db2.gz JHUAOSPKENTLLI-IJCIRRAASA-N 1 1 618.262 8.070 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)[NH+]3CCOCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791962 562830615 /nfs/dbraw/zinc/83/06/15/562830615.db2.gz RSKLVMJITCOSKY-FLGDYYPQSA-N 1 1 549.111 6.598 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)NC3CC[NH2+]CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794616 562830620 /nfs/dbraw/zinc/83/06/20/562830620.db2.gz KHAYFXPJPHDPRJ-QNPLBBOQSA-N 1 1 562.154 6.607 1 0 KKAFMO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)[NH+]3CCN(C(C)=O)CC3)cc1)C(=O)C2 ZINC000118793368 562830627 /nfs/dbraw/zinc/83/06/27/562830627.db2.gz JVNRCKRWFKVINQ-KATKFWMUSA-N 1 1 576.137 6.040 1 0 KKAFMO CC[C@@H](C)Oc1cc2c(cc1OCC(=O)N1CC[NH+](C)CC1)CC(=O)N(c1ccc(OC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118800581 562830712 /nfs/dbraw/zinc/83/07/12/562830712.db2.gz NQDGYXBFKYQRNB-NBLPZQPVSA-N 1 1 592.136 5.357 1 0 KKAFMO COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)CN3CCC([NH+](C)C)CC3)cc1)C(=O)C2 ZINC000118799871 562830724 /nfs/dbraw/zinc/83/07/24/562830724.db2.gz FOWSNFVTTAEKAG-COOREUGTSA-N 1 1 590.208 6.944 1 0 KKAFMO CCCC[N@@H+](CC1C2CC3CC(C2)CC1C3)C[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118920132 562830940 /nfs/dbraw/zinc/83/09/40/562830940.db2.gz FJLYALXMWQKCRF-YKVMHPTMSA-N 1 1 523.846 7.504 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[N@@H+]2CC[C@@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993486 562832310 /nfs/dbraw/zinc/83/23/10/562832310.db2.gz PANUCCHSDROJBK-PDDLMNHVSA-N 1 1 533.680 5.466 1 0 KKAFMO Cc1ccc(NC(=O)c2ccc3c(c2)CC[C@H]3[N@H+]2CC[C@@H](N(C)C)C2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000138993486 562832311 /nfs/dbraw/zinc/83/23/11/562832311.db2.gz PANUCCHSDROJBK-PDDLMNHVSA-N 1 1 533.680 5.466 1 0 KKAFMO CCN1c2ccc(OCCC[N@@H+](CCc3cccnc3)Cc3ccccc3-c3cccnc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000139568404 562832614 /nfs/dbraw/zinc/83/26/14/562832614.db2.gz HUIYSGLQEYEPFI-UHFFFAOYSA-N 1 1 591.756 6.013 1 0 KKAFMO Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O ZINC000140570242 562833177 /nfs/dbraw/zinc/83/31/77/562833177.db2.gz BFYZNAOKDWKLBO-JYFHCDHNSA-N 1 1 584.683 5.616 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@H+](C2CCCC2)C1 ZINC000140843804 562833350 /nfs/dbraw/zinc/83/33/50/562833350.db2.gz WXDZHXSCSPJUOV-XMMPIXPASA-N 1 1 514.510 6.397 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@@H+](CC2CC2)C1 ZINC000140844177 562833371 /nfs/dbraw/zinc/83/33/71/562833371.db2.gz ZQTLLEQBUNKYFU-HSZRJFAPSA-N 1 1 500.483 5.864 1 0 KKAFMO C[N@H+]1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141859712 562833802 /nfs/dbraw/zinc/83/38/02/562833802.db2.gz LBGJNSVXUMNZLY-YBRZPMKISA-N 1 1 539.664 5.649 1 0 KKAFMO C[N@H+]1CCC[C@@H](Nc2nc3c([nH]2)c(Br)c(Br)c(Br)c3Br)CC1 ZINC000143507060 562835100 /nfs/dbraw/zinc/83/51/00/562835100.db2.gz LFKAYWNVUDQMMN-SSDOTTSWSA-N 1 1 559.926 5.509 1 0 KKAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5[C@H](C)C[N@H+](C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2 ZINC000144986166 562836846 /nfs/dbraw/zinc/83/68/46/562836846.db2.gz OQYLKJLEFFUOSP-AFYCESQPSA-N 1 1 547.703 5.644 1 0 KKAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@H+]5[C@H](C)CN(C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2 ZINC000144986166 562836847 /nfs/dbraw/zinc/83/68/47/562836847.db2.gz OQYLKJLEFFUOSP-AFYCESQPSA-N 1 1 547.703 5.644 1 0 KKAFMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@@H+]5[C@H](C)CN(C)C[C@@H]5C)cc4)n[nH]c3c1)C(=O)N2 ZINC000144986166 562836848 /nfs/dbraw/zinc/83/68/48/562836848.db2.gz OQYLKJLEFFUOSP-AFYCESQPSA-N 1 1 547.703 5.644 1 0 KKAFMO C[C@H]1CCC[N@H+]1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(N4CCOCC4)nc3)cc21 ZINC000145379085 562837073 /nfs/dbraw/zinc/83/70/73/562837073.db2.gz BDZXHJKZIBGYHE-QHCPKHFHSA-N 1 1 546.115 5.890 1 0 KKAFMO c1nc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)sc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000145538183 562837309 /nfs/dbraw/zinc/83/73/09/562837309.db2.gz OIXUNWKWSUQAGU-SANMLTNESA-N 1 1 514.651 5.523 1 0 KKAFMO COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-n4cc[nH+]c4C)cc3)n2-c2ccc(F)cc2)cc1OC ZINC000145802585 562837639 /nfs/dbraw/zinc/83/76/39/562837639.db2.gz GQNFXODOTWEOTN-UHFFFAOYSA-N 1 1 572.706 7.020 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@H+](Cc1cnc3ccccc3c1)CC2 ZINC000146068395 562838099 /nfs/dbraw/zinc/83/80/99/562838099.db2.gz KMVWVUJNPYIYKE-UHFFFAOYSA-N 1 1 518.596 6.134 1 0 KKAFMO CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)C[N@@H+](Cc1cnc3ccccc3c1)CC2 ZINC000146068395 562838100 /nfs/dbraw/zinc/83/81/00/562838100.db2.gz KMVWVUJNPYIYKE-UHFFFAOYSA-N 1 1 518.596 6.134 1 0 KKAFMO COc1cccc(F)c1C[N@@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786515 562839614 /nfs/dbraw/zinc/83/96/14/562839614.db2.gz YDTYYMZZBCKIOD-AJTFRIOCSA-N 1 1 538.627 5.198 1 0 KKAFMO COc1cccc(F)c1C[N@H+]1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)CC[C@@H]1C1CC1 ZINC000147786515 562839615 /nfs/dbraw/zinc/83/96/15/562839615.db2.gz YDTYYMZZBCKIOD-AJTFRIOCSA-N 1 1 538.627 5.198 1 0 KKAFMO C[N@@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@H](c2ccccc2)C1 ZINC000148840959 562841897 /nfs/dbraw/zinc/84/18/97/562841897.db2.gz PUIKAJJTQJBRGR-MHZLTWQESA-N 1 1 550.663 5.614 1 0 KKAFMO C[N@H+]1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@H](c2ccccc2)C1 ZINC000148840959 562841898 /nfs/dbraw/zinc/84/18/98/562841898.db2.gz PUIKAJJTQJBRGR-MHZLTWQESA-N 1 1 550.663 5.614 1 0 KKAFMO CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCC[N@@H+](Cc2cccc3ccn(C)c32)C1 ZINC000148895297 562841952 /nfs/dbraw/zinc/84/19/52/562841952.db2.gz CTKUJBLIOZDCKM-MHZLTWQESA-N 1 1 522.133 6.444 1 0 KKAFMO CO[C@@H]1COCC[C@@H]1[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000150181426 562842953 /nfs/dbraw/zinc/84/29/53/562842953.db2.gz KBPVESMWPAKGTC-JYALHPGCSA-N 1 1 589.621 5.198 1 0 KKAFMO C[NH+](C)CC(=O)Nc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000150524945 562843751 /nfs/dbraw/zinc/84/37/51/562843751.db2.gz TVTLGOIVRRCYMP-JGCGQSQUSA-N 1 1 706.688 5.022 1 0 KKAFMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H]5CCCO5)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000150604347 562847671 /nfs/dbraw/zinc/84/76/71/562847671.db2.gz LCVVOGSBGVZEFF-DNMDQSTESA-N 1 1 683.857 6.943 1 0 KKAFMO COc1cc(/C=C/C(=O)O[C@H]2CC[C@H]([N@@H+](C)[C@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612921 562848651 /nfs/dbraw/zinc/84/86/51/562848651.db2.gz OWUNWYFBVXAWFX-AKURXZRGSA-N 1 1 639.789 7.179 1 0 KKAFMO Cc1cccc(-c2nc(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n[nH]2)n1 ZINC000166221760 562850393 /nfs/dbraw/zinc/85/03/93/562850393.db2.gz FUCRZGNUVYOQLJ-UHFFFAOYSA-N 1 1 544.638 6.071 1 0 KKAFMO Cc1cccc(-c2n[nH]c(C3CC[NH+](Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n2)n1 ZINC000166221760 562850394 /nfs/dbraw/zinc/85/03/94/562850394.db2.gz FUCRZGNUVYOQLJ-UHFFFAOYSA-N 1 1 544.638 6.071 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3cc(F)ccc3F)cn2n1 ZINC000167157832 562850677 /nfs/dbraw/zinc/85/06/77/562850677.db2.gz NHYJWBOVHHADEN-UHFFFAOYSA-N 1 1 563.616 5.605 1 0 KKAFMO Cc1nc2nc(-c3ccc(C[NH+]4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3cc(F)ccc3F)cn2n1 ZINC000167157832 562850678 /nfs/dbraw/zinc/85/06/78/562850678.db2.gz NHYJWBOVHHADEN-UHFFFAOYSA-N 1 1 563.616 5.605 1 0 KKAFMO CSc1nc2nc(-c3ccc(C[NH+]4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2n1 ZINC000167367559 562850744 /nfs/dbraw/zinc/85/07/44/562850744.db2.gz BANWNETXRJVKLD-UHFFFAOYSA-N 1 1 545.676 5.268 1 0 KKAFMO CC(C)Nc1c(-c2ccccc2)c(-c2ccc(C[NH+]3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn21 ZINC000167936456 562851128 /nfs/dbraw/zinc/85/11/28/562851128.db2.gz JWAAHLMUTIVCTN-UHFFFAOYSA-N 1 1 541.663 5.663 1 0 KKAFMO Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCC[NH+]5CCOCC5)c[nH]4)c3)cc2)c1 ZINC000169034933 562851587 /nfs/dbraw/zinc/85/15/87/562851587.db2.gz URFHWIMCQUTTHF-UHFFFAOYSA-N 1 1 572.641 5.413 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169295944 562852426 /nfs/dbraw/zinc/85/24/26/562852426.db2.gz XACYZNUBDRDHNM-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@H+]1CC[C@@H](O)C1 ZINC000169295944 562852427 /nfs/dbraw/zinc/85/24/27/562852427.db2.gz XACYZNUBDRDHNM-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO O=C(c1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1)N1CCCC[C@@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000169295944 562852428 /nfs/dbraw/zinc/85/24/28/562852428.db2.gz XACYZNUBDRDHNM-CLJLJLNGSA-N 1 1 548.609 5.977 1 0 KKAFMO COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)[NH2+][C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297211 562852504 /nfs/dbraw/zinc/85/25/04/562852504.db2.gz BVSHUOGAIIDBKK-KMYPOQQFSA-N 1 1 569.032 6.197 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2CC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1OC ZINC000169301440 562852919 /nfs/dbraw/zinc/85/29/19/562852919.db2.gz WKMZLMAXSGDHJM-IAPPQJPRSA-N 1 1 544.692 5.269 1 0 KKAFMO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2CC(=O)N2CCC[C@@H](c3ccccc3)C2)cc1OC ZINC000169301440 562852920 /nfs/dbraw/zinc/85/29/20/562852920.db2.gz WKMZLMAXSGDHJM-IAPPQJPRSA-N 1 1 544.692 5.269 1 0 KKAFMO CCCCC[C@@H](C)[N@H+](Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306570 562853556 /nfs/dbraw/zinc/85/35/56/562853556.db2.gz FIONLWWAACCOFK-WVXBCFDCSA-N 1 1 582.782 6.954 1 0 KKAFMO CCCCC[C@@H](C)[N@@H+](Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306570 562853557 /nfs/dbraw/zinc/85/35/57/562853557.db2.gz FIONLWWAACCOFK-WVXBCFDCSA-N 1 1 582.782 6.954 1 0 KKAFMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)CC[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 ZINC000169317788 562856070 /nfs/dbraw/zinc/85/60/70/562856070.db2.gz DTCLOSIOZCFUAJ-UFHPHHKVSA-N 1 1 515.572 6.180 1 0 KKAFMO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cn3)CC2)c1 ZINC000169321698 562856697 /nfs/dbraw/zinc/85/66/97/562856697.db2.gz ODQNTUICCYAWTO-UHFFFAOYSA-N 1 1 547.634 6.129 1 0 KKAFMO C[NH+]1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)n2)CC1 ZINC000169322275 562856813 /nfs/dbraw/zinc/85/68/13/562856813.db2.gz GDCMMNFEKDRQEN-UHFFFAOYSA-N 1 1 556.049 6.195 1 0 KKAFMO COCC[N@H+]1CCC[C@@H](Cn2c(=O)c3sc(-c4ccc(Cl)cc4)nc3nc2-c2ccccc2C)C1 ZINC000169323231 562857007 /nfs/dbraw/zinc/85/70/07/562857007.db2.gz CECBMNBUQKXZCK-LJQANCHMSA-N 1 1 509.075 5.507 1 0 KKAFMO 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 562857020 /nfs/dbraw/zinc/85/70/20/562857020.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 1 1 729.340 6.570 1 0 KKAFMO 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 562857021 /nfs/dbraw/zinc/85/70/21/562857021.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N 1 1 729.340 6.570 1 0 KKAFMO COc1ccc(Nc2nc(Nc3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N3CC[NH+](C)CC3)n2)cc1OC ZINC000169323805 562857183 /nfs/dbraw/zinc/85/71/83/562857183.db2.gz ZYVVUYXHXUDRHI-UHFFFAOYSA-N 1 1 598.111 6.073 1 0 KKAFMO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@@H+](CC5CCCCC5)C4)c(=O)c3n2)c1 ZINC000169331009 562858861 /nfs/dbraw/zinc/85/88/61/562858861.db2.gz UQODWGLXKRWCRR-DEOSSOPVSA-N 1 1 526.685 5.254 1 0 KKAFMO O=C(OCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1)c1ccccc1Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000169334232 562859447 /nfs/dbraw/zinc/85/94/47/562859447.db2.gz JUXWNLFIIPPKGJ-UHFFFAOYSA-N 1 1 620.550 6.755 1 0 KKAFMO COc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)N[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000169335830 562859707 /nfs/dbraw/zinc/85/97/07/562859707.db2.gz MATNFYHKYBREMY-AREMUKBSSA-N 1 1 536.516 6.654 1 0 KKAFMO CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)c1ccc(C(C)C)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@H+]1CC1CC1)[C@H]2O5 ZINC000169338630 562860285 /nfs/dbraw/zinc/86/02/85/562860285.db2.gz AIFURXDRYQAVTE-MOCVAACVSA-N 1 1 529.721 5.648 1 0 KKAFMO COc1cc2c(cc1OCCCN1CCOCC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344651 562861443 /nfs/dbraw/zinc/86/14/43/562861443.db2.gz PLLKNTADWFHSNK-UHFFFAOYSA-N 1 1 647.729 5.477 1 0 KKAFMO CCOC(=O)CCC(=O)Nc1ccc(CCC[N@H+]2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 ZINC000169346313 562861777 /nfs/dbraw/zinc/86/17/77/562861777.db2.gz ODPNHRPBZZXUFC-PTYIDMFESA-N 1 1 504.671 5.365 1 0 KKAFMO Cc1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)[nH+]c1 ZINC000169698946 562867503 /nfs/dbraw/zinc/86/75/03/562867503.db2.gz DEVVJEOQFGYXAU-JOMNFKBKSA-N 1 1 565.089 5.698 1 0 KKAFMO CCN1c2ccc(OCCC[N@@H+](CCn3ccc4ccoc4c3=O)Cc3ccc(C(F)(F)F)cc3)cc2N(C)C(=O)C(C)(C)C1=O ZINC000197908495 562872612 /nfs/dbraw/zinc/87/26/12/562872612.db2.gz ALRMPHHZEVRXDO-UHFFFAOYSA-N 1 1 638.687 5.940 1 0 KKAFMO Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4[C@H]4CCC[N@@H+](Cc5ccccc5)C4)cc2OCC3)n(C(C)C)n1 ZINC000204430486 562874529 /nfs/dbraw/zinc/87/45/29/562874529.db2.gz MOISIFKTLSDCMP-SANMLTNESA-N 1 1 548.695 5.791 1 0 KKAFMO CCN(c1cc(-c2ccc(C[N@@H+](C)CC3CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205715965 562875792 /nfs/dbraw/zinc/87/57/92/562875792.db2.gz YLHVWLFHHMNTRR-UHFFFAOYSA-N 1 1 570.778 5.744 1 0 KKAFMO OCCN1CC[NH+](CCCOc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1 ZINC000206739310 562876502 /nfs/dbraw/zinc/87/65/02/562876502.db2.gz RRCQRAWXNXUPKY-UHFFFAOYSA-N 1 1 508.018 5.319 1 0 KKAFMO CC(C)(C)OC(=O)N1C[C@H](Nc2[nH]c3ccc(F)cc3[nH+]2)[C@@H](OCc2ccc(-c3ccccc3)cc2)C1 ZINC000206740013 562876525 /nfs/dbraw/zinc/87/65/25/562876525.db2.gz ISSOLUDHEZMZKW-UIOOFZCWSA-N 1 1 502.590 5.986 1 0 KKAFMO CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC000219343252 562878042 /nfs/dbraw/zinc/87/80/42/562878042.db2.gz GXWACTLDHJZZJS-HXUWFJFHSA-N 1 1 520.008 5.881 1 0 KKAFMO O=C(Nc1nc2c(s1)C[C@@H]([NH+]1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2csc(-c3cccnc3)n2)c1 ZINC000220410503 562878442 /nfs/dbraw/zinc/87/84/42/562878442.db2.gz NBALCAPIKLXBDV-JYFHCDHNSA-N 1 1 600.770 5.081 1 0 KKAFMO Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4csc(-c5ccccc5)n4)ccc32)c(C)c1C(=O)N1CC[NH+](C)CC1 ZINC000221770829 562879257 /nfs/dbraw/zinc/87/92/57/562879257.db2.gz QXDFCBDHGCUCOC-KQWNVCNZSA-N 1 1 523.662 5.302 1 0 KKAFMO COc1ccc2nccc(C(=O)OCCCCC[N@@H+](C)CCCCCOC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000299829606 562884946 /nfs/dbraw/zinc/88/49/46/562884946.db2.gz URAJXVWPCPWYGA-NTCAYCPXSA-N 1 1 608.732 5.955 1 0 KKAFMO C=Cc1ccc(-c2c3c(c(OC)c4c2CC[N@@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000299830246 562885183 /nfs/dbraw/zinc/88/51/83/562885183.db2.gz XPMIHSIQAKHVPU-RPBOFIJWSA-N 1 1 515.562 5.192 1 0 KKAFMO C=Cc1ccc(-c2c3c(c(OC)c4c2CC[N@H+](C)[C@H]4[C@H]2OC(=O)c4c2ccc(OC)c4OC)OCO3)cc1 ZINC000299830246 562885184 /nfs/dbraw/zinc/88/51/84/562885184.db2.gz XPMIHSIQAKHVPU-RPBOFIJWSA-N 1 1 515.562 5.192 1 0 KKAFMO COC(=O)CCCCCC(=O)N1CC[NH+](CCCOc2cc3c(cc2OC)ncnc3Nc2ccc(F)c(Cl)c2)CC1 ZINC000299831842 562885724 /nfs/dbraw/zinc/88/57/24/562885724.db2.gz ZWCWQAPOYVGUTB-UHFFFAOYSA-N 1 1 602.107 5.211 1 0 KKAFMO Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000299833430 562886187 /nfs/dbraw/zinc/88/61/87/562886187.db2.gz KWXMQTBCHHHLEA-GOSISDBHSA-N 1 1 553.503 5.195 1 0 KKAFMO COc1ccc(-c2c(=O)n(CCCC[N@@H+]3CC=C(c4c[nH]c5ccc(Cl)cc54)CC3)c(=O)n3ccccc23)cc1 ZINC000299856998 562892039 /nfs/dbraw/zinc/89/20/39/562892039.db2.gz LTQVAYWCICYSLS-UHFFFAOYSA-N 1 1 555.078 5.841 1 0 KKAFMO CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473081251 562896624 /nfs/dbraw/zinc/89/66/24/562896624.db2.gz BAOSAWUQUVTPHH-NDEPHWFRSA-N 1 1 576.484 6.448 1 0 KKAFMO Clc1ccc(-c2nc3ncccn3c2CN2CC[NH+](Cc3c(-c4ccc(Cl)cc4)nc4ncccn34)CC2)cc1 ZINC000473089017 562897356 /nfs/dbraw/zinc/89/73/56/562897356.db2.gz QIEOYDLSECNSRU-UHFFFAOYSA-N 1 1 569.500 5.731 1 0 KKAFMO COc1cc2oc(-c3cccc(OCCCCN4CC[NH+](Cc5ccccc5)CC4)c3)cc(=O)c2c(OC)c1OC ZINC000473112086 562898652 /nfs/dbraw/zinc/89/86/52/562898652.db2.gz CXVAQFBJLQUWQV-UHFFFAOYSA-N 1 1 558.675 5.463 1 0 KKAFMO CC[N@@H+](CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1)Cc1ccccc1 ZINC000473113704 562898841 /nfs/dbraw/zinc/89/88/41/562898841.db2.gz KGBVQUBFOMCPNH-UHFFFAOYSA-N 1 1 503.595 5.777 1 0 KKAFMO COc1ccccc1C[N@@H+](C)CCCOc1cccc(-c2cc(=O)c3c(cc(OC)c(OC)c3OC)o2)c1 ZINC000473115876 562899126 /nfs/dbraw/zinc/89/91/26/562899126.db2.gz VAQPEVVEBZZHNB-UHFFFAOYSA-N 1 1 519.594 5.395 1 0 KKAFMO COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC[N@H+](C1CCOCC1)C2 ZINC000473132684 562900267 /nfs/dbraw/zinc/90/02/67/562900267.db2.gz UCEAVAQSKJVJFP-UHFFFAOYSA-N 1 1 586.158 5.157 1 0 KKAFMO FC(F)(F)c1ccc(O[C@@H](CC[NH+]2CCN(C(=S)NCCc3ccccc3)CC2)c2ccccc2)cc1 ZINC000473135751 562900847 /nfs/dbraw/zinc/90/08/47/562900847.db2.gz KIGSQTASCYFZAY-MHZLTWQESA-N 1 1 527.656 5.950 1 0 KKAFMO CC[N@@H+]1C/C(=C\c2ccc(OC)cc2)C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccc(OC)cc3)[C@H]2C1 ZINC000473136639 562901102 /nfs/dbraw/zinc/90/11/02/562901102.db2.gz TWRGSFQMYKPGBO-ZOFLGDINSA-N 1 1 536.701 6.780 1 0 KKAFMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3ccccc3NC(=O)OCC3c4ccccc4-c4ccccc43)cc1)CC2 ZINC000473136921 562901130 /nfs/dbraw/zinc/90/11/30/562901130.db2.gz VDDMODPDYJRYGE-UHFFFAOYSA-N 1 1 653.779 7.918 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473152135 562901728 /nfs/dbraw/zinc/90/17/28/562901728.db2.gz RSKJDTLFUJLASQ-ZPMCFJSWSA-N 1 1 554.518 5.966 1 0 KKAFMO O=C(c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473152135 562901729 /nfs/dbraw/zinc/90/17/29/562901729.db2.gz RSKJDTLFUJLASQ-ZPMCFJSWSA-N 1 1 554.518 5.966 1 0 KKAFMO COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](C[N@H+]5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159092 562902646 /nfs/dbraw/zinc/90/26/46/562902646.db2.gz GAPYLQYHVCOVEC-SXSPYAJSSA-N 1 1 550.099 5.321 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000473179770 562903477 /nfs/dbraw/zinc/90/34/77/562903477.db2.gz WBGAGQYLUBFTDF-NYVOZVTQSA-N 1 1 542.507 5.966 1 0 KKAFMO CC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[N@H+]2CCC[C@H]2CO)CC1 ZINC000473179770 562903478 /nfs/dbraw/zinc/90/34/78/562903478.db2.gz WBGAGQYLUBFTDF-NYVOZVTQSA-N 1 1 542.507 5.966 1 0 KKAFMO CCC(=O)c1c[nH+]c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000473183001 562903536 /nfs/dbraw/zinc/90/35/36/562903536.db2.gz HGMGHFQEXVUOHB-XGAFWQRZSA-N 1 1 526.508 6.995 1 0 KKAFMO C[NH+](C)C[C@H]1CC[C@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473201003 562903817 /nfs/dbraw/zinc/90/38/17/562903817.db2.gz PEAZQTKOWOEYCZ-UKIBZPOASA-N 1 1 512.481 6.461 1 0 KKAFMO O=C([O-])CC[N@H+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215238 562903950 /nfs/dbraw/zinc/90/39/50/562903950.db2.gz CNXAMMJOFWZPCL-WCSHMYRTSA-N 1 1 532.773 6.607 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215238 562903951 /nfs/dbraw/zinc/90/39/51/562903951.db2.gz CNXAMMJOFWZPCL-WCSHMYRTSA-N 1 1 532.773 6.607 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@H](c2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@@H]2C[C@H]3C[C@@H](C2)CCCC3)C1 ZINC000473215238 562903952 /nfs/dbraw/zinc/90/39/52/562903952.db2.gz CNXAMMJOFWZPCL-WCSHMYRTSA-N 1 1 532.773 6.607 1 0 KKAFMO O=C([O-])C1CC[NH+](Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3[C@H]2C[C@@H]3CCC[C@@H](C3)C2)CC1 ZINC000473215175 562903982 /nfs/dbraw/zinc/90/39/82/562903982.db2.gz AXGIZQOFNZGFRA-DGOISOPDSA-N 1 1 504.719 5.860 1 0 KKAFMO O=C([O-])CC[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 ZINC000473236422 562904664 /nfs/dbraw/zinc/90/46/64/562904664.db2.gz HCRKFMPEDIKLJD-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236422 562904665 /nfs/dbraw/zinc/90/46/65/562904665.db2.gz HCRKFMPEDIKLJD-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO O=C([O-])CC[NH+]1CCC[C@H]1Cc1nc2ccccc2n1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1C[C@H]2C[C@@H](C1)CCCC2 ZINC000473236422 562904666 /nfs/dbraw/zinc/90/46/66/562904666.db2.gz HCRKFMPEDIKLJD-WCSHMYRTSA-N 1 1 532.773 6.435 1 0 KKAFMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)ncnc2Nc1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000473243943 562904783 /nfs/dbraw/zinc/90/47/83/562904783.db2.gz FVOCMDWBLIDMCB-JOCHJYFZSA-N 1 1 516.690 6.471 1 0 KKAFMO COc1ccc(C[C@H]2c3ccc(NCCCc4ccccc4)cc3CC[N@@H+]2CC(=O)NCc2ccccc2)cc1OC ZINC000474607968 562905460 /nfs/dbraw/zinc/90/54/60/562905460.db2.gz KRPXDFJBGKVXTA-XIFFEERXSA-N 1 1 563.742 6.207 1 0 KKAFMO Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCC[N@@H+](Cc4ccc(Cl)cc4)C(C)C)ccc3C2)cc1 ZINC000474609880 562905726 /nfs/dbraw/zinc/90/57/26/562905726.db2.gz WOOJNWRKEYERQH-UHFFFAOYSA-N 1 1 540.129 5.036 1 0 KKAFMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n(-c3ccc(C)cc3)c2=O)cc1F ZINC000653721968 562908766 /nfs/dbraw/zinc/90/87/66/562908766.db2.gz VSLMCBYJVLSIEE-UHFFFAOYSA-N 1 1 723.201 7.794 1 0 KKAFMO 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)[O-])C2 ZINC000653726210 562909133 /nfs/dbraw/zinc/90/91/33/562909133.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 1 1 602.823 6.879 1 0 KKAFMO CC[C@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)[O-])C2 ZINC000653726210 562909134 /nfs/dbraw/zinc/90/91/34/562909134.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 1 1 602.823 6.879 1 0 KKAFMO CC[C@]12CCC[NH+]3CCc4c5ccccc5n(c4[C@H]31)[C@H](c1ccc3c(c1)N[C@@]14CC[C@]5(CCC[N@H+]6CC[C@]31[C@@H]65)C[C@H]4C(=O)[O-])C2 ZINC000653726210 562909135 /nfs/dbraw/zinc/90/91/35/562909135.db2.gz YGXKYTXVHPBPGW-IJOLKIGYSA-N 1 1 602.823 6.879 1 0 KKAFMO COc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(-c4ccccc4)cc32)cc1 ZINC000653795331 562913036 /nfs/dbraw/zinc/91/30/36/562913036.db2.gz FERRSEAGCKTLCL-UHFFFAOYSA-N 1 1 521.686 6.385 1 0 KKAFMO Cc1ccc(-c2nnc(-c3ccc(CN4CC[NH+](CCO)CC4)c(C(F)(F)F)c3)o2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000653797968 562913189 /nfs/dbraw/zinc/91/31/89/562913189.db2.gz XDZINFGUALGAPM-UHFFFAOYSA-N 1 1 616.648 5.436 1 0 KKAFMO CCCCCCc1ccc(NC(=O)Oc2cccc(C[N@@H+](C)CCCOc3ccc4ccc(=O)oc4c3)c2)cc1 ZINC000653823153 562914242 /nfs/dbraw/zinc/91/42/42/562914242.db2.gz NHQAJSNDGMKMKP-UHFFFAOYSA-N 1 1 542.676 7.428 1 0 KKAFMO CCCCC[NH+]1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(OCC)cc6)[nH]c5c4)nc3c2)CC1 ZINC000653889597 562917101 /nfs/dbraw/zinc/91/71/01/562917101.db2.gz QCGVATOMCXGJDP-UHFFFAOYSA-N 1 1 508.670 6.484 1 0 KKAFMO COc1ccc2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000070454185 565119518 /nfs/dbraw/zinc/11/95/18/565119518.db2.gz INUHRHLZFLIFNB-MHZLTWQESA-N 1 1 618.686 7.170 1 0 biogenic,in-vitro KKAFMO COc1ccc2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000070454185 565119521 /nfs/dbraw/zinc/11/95/21/565119521.db2.gz INUHRHLZFLIFNB-MHZLTWQESA-N 1 1 618.686 7.170 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[N@H+](C)CC2)CCN1C ZINC000085509425 565133354 /nfs/dbraw/zinc/13/33/54/565133354.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3[N@@H+](C)CC2)CCN1C ZINC000085509425 565133361 /nfs/dbraw/zinc/13/33/61/565133361.db2.gz JFYQEEKVWQQEDE-KYJUHHDHSA-N 1 1 622.762 7.162 1 0 biogenic,in-vitro KKAFMO CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)C[C@@H]3CCCC34CCCC4)[N@H+]3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532455 565137681 /nfs/dbraw/zinc/13/76/81/565137681.db2.gz HSZVPEWOXCAXQJ-FWGDENQASA-N 1 1 657.936 8.781 1 0 biogenic,in-vitro KKAFMO