smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005208886 561695681 /nfs/dbraw/zinc/69/56/81/561695681.db2.gz FYMKQHGUPBPVAI-UHFFFAOYSA-N 2 0 526.728 9.734 1 10 KKCFRP COc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(OC)cccc34)c3ccccc3[nH+]c12 ZINC000005437297 561695919 /nfs/dbraw/zinc/69/59/19/561695919.db2.gz OEBWTKDJTNTSEZ-UHFFFAOYSA-N 2 0 558.726 8.971 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]CCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000026580225 561805617 /nfs/dbraw/zinc/80/56/17/561805617.db2.gz APQIOBDMOGNRCR-UHFFFAOYSA-N 3 0 586.523 7.527 1 10 KKCFRP N=C(NC(N)=[NH2+])Nc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000026848858 561826883 /nfs/dbraw/zinc/82/68/83/561826883.db2.gz GEKRENHXBVQPIH-UHFFFAOYSA-N 2 0 503.570 5.605 1 10 KKCFRP CCC[N+](C)(CCC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[N+](C)(CCC)CCC)cc1C2=O ZINC000026960183 561829563 /nfs/dbraw/zinc/82/95/63/561829563.db2.gz OMFYXKVLTUXVNS-UHFFFAOYSA-P 2 0 578.798 5.652 1 10 KKCFRP O=C(OCC[NH+]1CCCCC1)c1ccc(/N=N/Nc2ccc(C(=O)OCC[NH+]3CCCCC3)cc2)cc1 ZINC000027101493 561838766 /nfs/dbraw/zinc/83/87/66/561838766.db2.gz SOVATZTZZWCGRU-UHFFFAOYSA-N 2 0 507.635 5.083 1 10 KKCFRP Nc1ccccc1Nc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2[nH+]c2ccc(NC(=O)CC[NH+]3CCCC3)cc21 ZINC000027517865 561861559 /nfs/dbraw/zinc/86/15/59/561861559.db2.gz KOHPNGIGRYIEPJ-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP CCOC(=O)Nc1cc(COC(=O)CCC(=O)Nc2cc(C(=O)NCC[NH+](C)C)n(C)c2)cc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000027518885 561862629 /nfs/dbraw/zinc/86/26/29/561862629.db2.gz VIOCNDJPORCZCG-UHFFFAOYSA-N 2 0 679.778 5.792 1 10 KKCFRP Oc1ccc(C[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)cc1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000027859841 561886904 /nfs/dbraw/zinc/88/69/04/561886904.db2.gz ZZZQHCCBHQUQKU-UHFFFAOYSA-N 2 0 541.519 5.666 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3sccc3C)c2c1 ZINC000028639348 561942542 /nfs/dbraw/zinc/94/25/42/561942542.db2.gz ZJLWSGJMBAUTBE-UHFFFAOYSA-N 3 0 724.758 10.590 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](C)CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000028640266 561942734 /nfs/dbraw/zinc/94/27/34/561942734.db2.gz UPJOSXKZMBUKMA-UHFFFAOYSA-N 3 0 628.604 8.649 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccoc3)c2c1 ZINC000028642579 561943725 /nfs/dbraw/zinc/94/37/25/561943725.db2.gz YZJPQGSWQKQPOS-UHFFFAOYSA-N 3 0 694.663 9.813 1 10 KKCFRP COc1cc(CNc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc(OC)c1 ZINC000028878736 561976069 /nfs/dbraw/zinc/97/60/69/561976069.db2.gz UMVPOIZDIWBNHW-UHFFFAOYSA-N 3 0 624.786 5.866 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000043532474 562649336 /nfs/dbraw/zinc/64/93/36/562649336.db2.gz DKCVWQHZPRQRKN-UHFFFAOYSA-N 2 0 573.810 7.891 1 10 KKCFRP C[NH+](C)CCOc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(/C=C/c4cc(Cl)cc(Cl)c4)cc3)CC2)cc1 ZINC000049626986 562667471 /nfs/dbraw/zinc/66/74/71/562667471.db2.gz YFFVTXHBXBXNGV-AATRIKPKSA-N 2 0 595.615 6.436 1 10 KKCFRP COc1ccccc1N1CC[NH+](CCCn2cc(CCCC[N@@H+]3CCc4cc(O)c(O)cc4[C@H](c4cccc(C)c4)C3)nn2)CC1 ZINC000049722954 562672727 /nfs/dbraw/zinc/67/27/27/562672727.db2.gz JQGRSOUGXXQUQI-XIFFEERXSA-N 2 0 624.830 5.232 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(Cc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000049917537 562693534 /nfs/dbraw/zinc/69/35/34/562693534.db2.gz HOFKNSCBIDWFAM-UHFFFAOYSA-N 2 0 552.681 10.167 1 10 KKCFRP C1=C/c2sc3ccccc3[n+]2CCCN2c3ccccc3S/C2=C\C=C\c2sc3ccccc3[n+]2CCCN2c3ccccc3S\C2=C/1 ZINC000072134022 562727130 /nfs/dbraw/zinc/72/71/30/562727130.db2.gz ZBAFXQKNSBRXJB-UHFFFAOYSA-N 2 0 699.008 10.119 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](CCCC[NH3+])NC(=O)OC(C)(C)C)c2c1 ZINC000095545463 562758080 /nfs/dbraw/zinc/75/80/80/562758080.db2.gz XXGNVUVMNONZCU-KXQOOQHDSA-N 3 0 842.869 9.569 1 10 KKCFRP CC[NH+](CC)Cc1ccc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc2)cc1O ZINC000095592851 562776028 /nfs/dbraw/zinc/77/60/28/562776028.db2.gz VEOLNFNIPDPIPD-ITUZVUEHSA-N 2 0 580.773 6.030 1 10 KKCFRP CC[C@@H]1C=C[C@@H]([NH2+]CC2CCCCC2)[C@H](COC(=O)[C@]23O[C@@]2(CC=C(C)C[C@@H](NC(=[NH2+])NC)c2ccnc(N)c2)C(=O)c2ccccc2C3=O)C1 ZINC000085592635 565148512 /nfs/dbraw/zinc/14/85/12/565148512.db2.gz XMVPXPAHWABFRM-SELNFMCOSA-N 2 0 696.893 5.446 1 10 biogenic,in-vitro KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000006004455 561701153 /nfs/dbraw/zinc/70/11/53/561701153.db2.gz JXKNOHCXCIJXLN-UHFFFAOYSA-N 3 0 614.577 8.307 1 10 KKCFRP CSc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(SC)ccc21 ZINC000005370754 561695659 /nfs/dbraw/zinc/69/56/59/561695659.db2.gz MPUVSNOPNFYRBR-UHFFFAOYSA-N 2 0 590.862 10.398 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CC[NH+](C)C)c2c1 ZINC000026579173 561804246 /nfs/dbraw/zinc/80/42/46/561804246.db2.gz BIFOUMBNACSHBC-UHFFFAOYSA-N 3 0 713.710 8.498 1 10 KKCFRP Cn1cc(-c2cc(NC(=O)CCCC(=O)Nc3cc(CO)cc(Nc4c5ccccc5[nH+]c5ccccc54)c3)cn2C)cc1C(=O)NCC[NH+](C)C ZINC000027518775 561862642 /nfs/dbraw/zinc/86/26/42/561862642.db2.gz JCDGAFWTXKKXCZ-UHFFFAOYSA-N 2 0 700.844 6.007 1 10 KKCFRP CSc1ccccc1Nc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2[nH+]c2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000027519149 561862882 /nfs/dbraw/zinc/86/28/82/561862882.db2.gz YBLQZFLNLALBCW-UHFFFAOYSA-N 3 0 596.801 6.702 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NCC[NH+]1CCCCC1 ZINC000027520683 561863672 /nfs/dbraw/zinc/86/36/72/561863672.db2.gz UFUWKXJFGOPADZ-UHFFFAOYSA-N 4 0 585.797 5.135 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@H]3COC(C)(C)O3)c2c1 ZINC000028639637 561942526 /nfs/dbraw/zinc/94/25/26/561942526.db2.gz BPLKVGXDZXUONV-LJAQVGFWSA-N 3 0 728.721 9.171 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccccc3OC)c2c1 ZINC000028641006 561943034 /nfs/dbraw/zinc/94/30/34/561943034.db2.gz VNRGMEBIOCGEBR-UHFFFAOYSA-N 3 0 734.728 10.228 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCOCCOCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000029057236 561995257 /nfs/dbraw/zinc/99/52/57/561995257.db2.gz FZDDLKNOSWOGAY-UHFFFAOYSA-N 2 0 631.560 7.971 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH+]3CCN(CCCN4c5ccccc5CCc5ccccc54)CC3)c2c1 ZINC000043207592 562647073 /nfs/dbraw/zinc/64/70/73/562647073.db2.gz RCHYLLRCNUYHJW-UHFFFAOYSA-N 2 0 634.268 8.187 1 10 KKCFRP CCc1c2ccc(n2)c(-c2ccc(O)c(C[N+](C)(C)C)c2)c2ccc(n2)c(CC)c2ccc([nH]2)c(-c2ccc(O)c(C[N+](C)(C)C)c2)c2ccc1[nH]2 ZINC000049707761 562670845 /nfs/dbraw/zinc/67/08/45/562670845.db2.gz VCKYZEULVHNQLW-UHFFFAOYSA-P 2 0 694.924 9.152 1 10 KKCFRP COc1ccccc1N1CC[NH+](CCCn2cc(CCCC[N@@H+]3CCc4cc(O)c(O)cc4[C@@H](c4cccc(C)c4)C3)nn2)CC1 ZINC000049722955 562672744 /nfs/dbraw/zinc/67/27/44/562672744.db2.gz JQGRSOUGXXQUQI-MGBGTMOVSA-N 2 0 624.830 5.232 1 10 KKCFRP CC[NH+](CC)CCNc1nc(Nc2ccccc2)nc(Nc2ccc(Nc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)cc2)n1 ZINC000049780249 562681495 /nfs/dbraw/zinc/68/14/95/562681495.db2.gz LDWZGDZYRPAAAZ-UHFFFAOYSA-N 2 0 634.188 8.220 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(N[C@@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000049881841 562691230 /nfs/dbraw/zinc/69/12/30/562691230.db2.gz FLUJZEBIESJURW-WJOKGBTCSA-N 2 0 542.510 8.501 1 10 KKCFRP C[N@H+](CCCNc1c2ccccc2[nH+]c2c1CCCC2)CCC[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC000053243664 562696827 /nfs/dbraw/zinc/69/68/27/562696827.db2.gz PAIAUVBTMGLHFA-UHFFFAOYSA-N 2 0 518.105 5.935 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(c4ccnc5cc(Cl)ccc54)CC3)c2c1 ZINC000064548877 562707950 /nfs/dbraw/zinc/70/79/50/562707950.db2.gz QLPVKQWKJKFJMS-UHFFFAOYSA-N 2 0 546.502 6.876 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH+]3CCN(c4ccnc5cc(Cl)ccc54)CC3)c2c1 ZINC000064559786 562708434 /nfs/dbraw/zinc/70/84/34/562708434.db2.gz MXUXOZPQSKWKTC-UHFFFAOYSA-N 2 0 532.475 6.486 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c2c1 ZINC000095544705 562757811 /nfs/dbraw/zinc/75/78/11/562757811.db2.gz PSHSYDUFXWIGEA-QNGWXLTQSA-N 2 0 801.772 8.432 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c2c1 ZINC000095610999 562784720 /nfs/dbraw/zinc/78/47/20/562784720.db2.gz FXLTVQXEEAMFPN-LDLOPFEMSA-N 2 0 813.827 10.096 1 10 KKCFRP CC(C)(C)Oc1ccc(C[C@H]([NH3+])C(=O)NCCNc2ccc(NCCNC(=O)[C@@H]([NH3+])Cc3ccc(OC(C)(C)C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000095613292 562786215 /nfs/dbraw/zinc/78/62/15/562786215.db2.gz IRLNKPAAVYQFHZ-HEVIKAOCSA-N 2 0 762.952 5.013 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](C[NH3+])NC(=O)OC(C)(C)C)c2c1 ZINC000095613771 562786524 /nfs/dbraw/zinc/78/65/24/562786524.db2.gz DBGAQSBKOFZEAC-DIPNUNPCSA-N 3 0 800.788 8.398 1 10 KKCFRP O=S(=O)(CCCCCNc1c2ccccc2[nH+]c2ccccc21)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095721481 562788722 /nfs/dbraw/zinc/78/87/22/562788722.db2.gz WOPGCNYPEYDLDY-UHFFFAOYSA-N 2 0 611.771 8.857 1 10 KKCFRP c1ccc(OCCCCCCCCNc2cc[nH+]c3ccccc23)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859258 562789647 /nfs/dbraw/zinc/78/96/47/562789647.db2.gz JNKUWBLOMRREGK-UHFFFAOYSA-N 2 0 540.711 9.511 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCNc4ccc5ncn6c5c4c(=O)c4ccccc46)CC3)c2c1 ZINC000150593662 562846462 /nfs/dbraw/zinc/84/64/62/562846462.db2.gz VXZGZOXNXOMADN-UHFFFAOYSA-N 2 0 660.222 6.724 1 10 KKCFRP CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@@]45CC[N+]6(C)CC7=CCO[C@@H]1[C@@H]([C@H]34)[C@H]7C[C@@H]56)-c1[nH]c3cccc(OC)c3c1CC2 ZINC000049649975 717130094 /nfs/dbraw/zinc/13/00/94/717130094.db2.gz AAJSOHFSWPEFNN-QFQUXZBZSA-O 2 0 610.802 5.924 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005208890 561695669 /nfs/dbraw/zinc/69/56/69/561695669.db2.gz QOYFRPOFXWKTBN-UHFFFAOYSA-N 2 0 582.836 11.295 1 10 KKCFRP Clc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(Cl)ccc21 ZINC000005437503 561695983 /nfs/dbraw/zinc/69/59/83/561695983.db2.gz SGBQTMFCOOFCMU-UHFFFAOYSA-N 2 0 567.564 10.261 1 10 KKCFRP CCC[NH+](CCC)CCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+](CCC)CCC)cc1C2=O ZINC000026963702 561829796 /nfs/dbraw/zinc/82/97/96/561829796.db2.gz NWGMIGUVKVPXLG-UHFFFAOYSA-N 2 0 548.728 5.363 1 10 KKCFRP C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000027522015 561864312 /nfs/dbraw/zinc/86/43/12/561864312.db2.gz WZCGXASKANNRLR-UHFFFAOYSA-O 2 0 646.798 9.187 1 10 KKCFRP O=C(CCCC(=O)NCCNc1c2ccccc2[nH+]c2ccccc21)NCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027862085 561887084 /nfs/dbraw/zinc/88/70/84/561887084.db2.gz KWTKEUDOIITBTD-UHFFFAOYSA-N 2 0 570.697 6.016 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H](O)CO)c2c1 ZINC000028639641 561942549 /nfs/dbraw/zinc/94/25/49/561942549.db2.gz KWSVRSPRLDAQNC-RUZDIDTESA-N 3 0 688.656 7.373 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NCc1ccc(F)c(F)c1 ZINC000028878731 561976061 /nfs/dbraw/zinc/97/60/61/561976061.db2.gz NGMQRZIFCCYTRG-UHFFFAOYSA-N 3 0 600.714 6.127 1 10 KKCFRP COc1cc(CNc2c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCCC4)ccc32)cc(OC)c1 ZINC000028878764 561976071 /nfs/dbraw/zinc/97/60/71/561976071.db2.gz TXLAEUZIQZZVCN-UHFFFAOYSA-N 3 0 652.840 6.646 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]CCC[NH2+]CCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000029056954 561995251 /nfs/dbraw/zinc/99/52/51/561995251.db2.gz XFJXLGCRRIQDMW-UHFFFAOYSA-N 4 0 643.619 7.507 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCNCC[NH2+]CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029339812 562015007 /nfs/dbraw/zinc/01/50/07/562015007.db2.gz JWJPLFIRTBYGBR-UHFFFAOYSA-N 3 0 500.650 5.793 1 10 KKCFRP O=C(CCCNc1c2ccccc2[nH+]c2ccccc21)NCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029334718 562014199 /nfs/dbraw/zinc/01/41/99/562014199.db2.gz NFCFNUUMBMNVLF-UHFFFAOYSA-N 2 0 513.645 6.900 1 10 KKCFRP Oc1c(C[NH+]2CCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc32)cc1C[NH+]1CCCC1 ZINC000029485135 562028154 /nfs/dbraw/zinc/02/81/54/562028154.db2.gz TXJPFVUANOQSHB-UHFFFAOYSA-N 2 0 528.700 7.696 1 10 KKCFRP CCc1cccc2c(NCCCCCCNc3c4ccccc4[nH+]c4c(CC)cccc34)c3ccccc3[nH+]c12 ZINC000031343407 562036092 /nfs/dbraw/zinc/03/60/92/562036092.db2.gz ADOGKVBTAYKDAE-UHFFFAOYSA-N 2 0 526.728 9.299 1 10 KKCFRP C[N+](C)(C)Cc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(O)c(C[N+](C)(C)C)c4)c4ccc(cc5ccc2n5)[nH]4)n3)ccc1O ZINC000043328105 562647829 /nfs/dbraw/zinc/64/78/29/562647829.db2.gz ZDNAGIVCJDYDRU-UHFFFAOYSA-P 2 0 638.816 8.028 1 10 KKCFRP c1ccc(N(CCCN2CC[NH+](CCCCNc3c4ccccc4[nH+]c4ccccc43)CC2)c2ccccc2)cc1 ZINC000043543892 562649474 /nfs/dbraw/zinc/64/94/74/562649474.db2.gz WGTAYRBGTMVTCG-UHFFFAOYSA-N 2 0 543.759 7.426 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000049841262 562688144 /nfs/dbraw/zinc/68/81/44/562688144.db2.gz YBADEFNMCAZHLV-UHFFFAOYSA-N 2 0 653.053 10.357 1 10 KKCFRP O=C(CC[NH2+]Cc1cc(F)cc(F)c1)Nc1cccc2c1C(=O)c1c(NC(=O)CC[NH2+]Cc3cc(F)cc(F)c3)cccc1C2=O ZINC000082178376 562741672 /nfs/dbraw/zinc/74/16/72/562741672.db2.gz IWNDOHWTDPZLHJ-UHFFFAOYSA-N 2 0 632.614 5.255 1 10 KKCFRP O=C(CCCCC(=O)[N+]1([O-])CCCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000095538161 562754517 /nfs/dbraw/zinc/75/45/17/562754517.db2.gz DNLSELMHAILQJI-UHFFFAOYSA-N 3 0 776.983 7.504 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](COC(C)=O)NC(=O)OC(C)(C)C)c2c1 ZINC000095545452 562758087 /nfs/dbraw/zinc/75/80/87/562758087.db2.gz ZPMYZSGKMZVQOF-KDXMTYKHSA-N 2 0 843.809 9.003 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](COC(C)=O)NC(=O)OC(C)(C)C)c2c1 ZINC000095545453 562758095 /nfs/dbraw/zinc/75/80/95/562758095.db2.gz ZPMYZSGKMZVQOF-LDLOPFEMSA-N 2 0 843.809 9.003 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3cc(Br)cs3)c2c1 ZINC000095607024 562782600 /nfs/dbraw/zinc/78/26/00/562782600.db2.gz HWHQUOYWCLCLDU-UHFFFAOYSA-N 3 0 789.627 11.044 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095614567 562786734 /nfs/dbraw/zinc/78/67/34/562786734.db2.gz PMCOXUHLGWSJFH-VWLOTQADSA-N 2 0 785.773 9.459 1 10 KKCFRP CC[NH+](CC)CCC[C@H](C)Nc1ccc(N[C@@H](C)CCC[NH+](CC)CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000111469343 562825466 /nfs/dbraw/zinc/82/54/66/562825466.db2.gz FGORVXXLEPUCDR-VXKWHMMOSA-N 2 0 552.760 5.718 1 10 KKCFRP c1ccc(CC2CC[NH+](CCOc3ccc4c(c3)CN3CN4Cc4cc(OCC[NH+]5CCC(Cc6ccccc6)CC5)ccc43)CC2)cc1 ZINC000299824633 562883343 /nfs/dbraw/zinc/88/33/43/562883343.db2.gz HYAZKQDVQCCJQW-UHFFFAOYSA-N 2 0 656.915 7.651 1 10 KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OC4CC[NH2+]CC4)c3CC[C@@H]2C2(c3ccccc3)CCCCC2)ccc1O ZINC000085625369 565159104 /nfs/dbraw/zinc/15/91/04/565159104.db2.gz KKBBGFUFPWZTLP-RQBSCEBTSA-N 2 0 672.863 6.120 1 10 biogenic,in-vitro KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005208887 561695629 /nfs/dbraw/zinc/69/56/29/561695629.db2.gz GOLZLLRLZYGGEY-UHFFFAOYSA-N 2 0 554.782 10.514 1 10 KKCFRP NC(=[NH2+])c1ccc(NN=c2c3cc4ccc(=O)c(=NNc5ccc(C(N)=[NH2+])cc5)c4cc3ccc2=O)cc1 ZINC000005519273 561696107 /nfs/dbraw/zinc/69/61/07/561696107.db2.gz LTQYISCJDPIVNR-LBYUQGKWSA-N 2 0 502.538 6.803 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[N@H+](C)CCCNc3ccc4ncn5c4c3c(=O)c3ccccc35)c2c1 ZINC000005543910 561696475 /nfs/dbraw/zinc/69/64/75/561696475.db2.gz URNPZPRBVNQCKG-UHFFFAOYSA-N 2 0 605.142 7.038 1 10 KKCFRP Cc1c2cc(C(=O)NCc3ccc([N+](C)(C)Cc4ccccc4)cc3)n(Cc3cccc(C(N)=[NH2+])c3)c2ccc1F ZINC000014954012 561746872 /nfs/dbraw/zinc/74/68/72/561746872.db2.gz SFFPYZNRYZUJGI-UHFFFAOYSA-O 2 0 548.686 6.118 1 10 KKCFRP COc1cccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)c1 ZINC000027519572 561863141 /nfs/dbraw/zinc/86/31/41/561863141.db2.gz QGDWEQNFZAABJR-UHFFFAOYSA-N 3 0 580.733 5.989 1 10 KKCFRP COc1ccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027520593 561863711 /nfs/dbraw/zinc/86/37/11/561863711.db2.gz CHAFLPSILAMSNA-UHFFFAOYSA-N 3 0 580.733 5.989 1 10 KKCFRP [NH3+]C(CC(=O)NCCCNc1c2ccccc2[nH+]c2ccccc21)CC(=O)NCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027851611 561886127 /nfs/dbraw/zinc/88/61/27/561886127.db2.gz PGDRCXKBHJYINR-UHFFFAOYSA-N 3 0 613.766 5.734 1 10 KKCFRP O=C(CCCC(=O)NCCCCCCCNc1c2ccccc2[nH+]c2ccccc21)NCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027856843 561886590 /nfs/dbraw/zinc/88/65/90/561886590.db2.gz PEMYUMLWVZXMHW-UHFFFAOYSA-N 2 0 710.967 9.917 1 10 KKCFRP CC[NH+](CC)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000028459328 561924760 /nfs/dbraw/zinc/92/47/60/561924760.db2.gz YSXCBSOXVLCKAC-HKBQPEDESA-N 2 0 565.803 5.306 1 10 KKCFRP CN(C)c1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCCC4)ccc32)cc1 ZINC000028878780 561976206 /nfs/dbraw/zinc/97/62/06/561976206.db2.gz KDARGJAOMHYKPC-UHFFFAOYSA-N 3 0 621.830 6.827 1 10 KKCFRP Cn1nc(C(=O)NCCNc2c3ccccc3[nH+]c3ccccc32)cc1C(=O)NCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029336503 562014401 /nfs/dbraw/zinc/01/44/01/562014401.db2.gz OAGZKYZTWQSVSY-UHFFFAOYSA-N 2 0 608.706 5.507 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(OCCOCCOc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000049605120 562665386 /nfs/dbraw/zinc/66/53/86/562665386.db2.gz HMYWNTSLLXCLRS-UHFFFAOYSA-N 2 0 642.759 10.051 1 10 KKCFRP O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC[NH2+]CCCC[NH2+]CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000049792254 562684350 /nfs/dbraw/zinc/68/43/50/562684350.db2.gz JALSKZKYKAGIPA-UHFFFAOYSA-N 2 0 662.790 6.179 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCCCCNC(=O)c3ccc4ccccc4n3)c3ccccc3[nH+]c12 ZINC000064559070 562708334 /nfs/dbraw/zinc/70/83/34/562708334.db2.gz LFKARQJXJOIIOG-UHFFFAOYSA-N 2 0 562.718 5.630 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CCN3CCOCC3)c2c1 ZINC000095544680 562757816 /nfs/dbraw/zinc/75/78/16/562757816.db2.gz ZDFKTNAVCXPSOE-UHFFFAOYSA-N 2 0 755.747 8.269 1 10 KKCFRP CC[NH+](CC)CCNc1ccc(NCCCN(C)CCCNc2ccc(NCC[NH+](CC)CC)c3c2C(=O)c2ccncc2C3=O)c2c1C(=O)c1cnccc1C2=O ZINC000095608115 562783351 /nfs/dbraw/zinc/78/33/51/562783351.db2.gz TUEDIMZXKADDPC-UHFFFAOYSA-N 2 0 788.010 5.771 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CCC(=O)N3CCOCC3)c2c1 ZINC000095610437 562784405 /nfs/dbraw/zinc/78/44/05/562784405.db2.gz HIZHNQFMILEQMB-UHFFFAOYSA-N 2 0 783.757 8.185 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2c1 ZINC000095611000 562784754 /nfs/dbraw/zinc/78/47/54/562784754.db2.gz KZEFNMKNSRDNFB-FAIXQHPJSA-N 2 0 827.854 10.486 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CC[NH+]3CCN(C)CC3)c2c1 ZINC000095614494 562786642 /nfs/dbraw/zinc/78/66/42/562786642.db2.gz IGFSGWUQCQQTLO-UHFFFAOYSA-N 3 0 768.790 8.184 1 10 KKCFRP O=S(=O)(CCCCCNc1cc[nH+]c2ccccc12)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095721484 562788733 /nfs/dbraw/zinc/78/87/33/562788733.db2.gz QEISDEWKCLLHCQ-UHFFFAOYSA-N 2 0 561.711 7.704 1 10 KKCFRP CCCCn1cc[n+](Cc2cc3ccccc3c(-c3c(O)c(C[n+]4ccn(CCCC)c4)cc4ccccc43)c2O)c1 ZINC000103300899 562824988 /nfs/dbraw/zinc/82/49/88/562824988.db2.gz YJHZDUXIVAOYQZ-UHFFFAOYSA-P 2 0 560.742 6.946 1 10 KKCFRP Oc1c2cccc1CN1C=CC(=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377567241 562895910 /nfs/dbraw/zinc/89/59/10/562895910.db2.gz AXGSAMYCJXCNFL-UHFFFAOYSA-N 2 0 508.625 6.752 1 10 KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CC4(CCCC4)[NH2+]CC34CCCC4)c2)ccc1O ZINC000085625392 565158877 /nfs/dbraw/zinc/15/88/77/565158877.db2.gz JQYUBIGQWRVGCL-NNLAASJASA-N 2 0 686.890 6.772 1 10 biogenic,in-vitro KKCFRP CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@@]45CC[N@@+]6(C)CC7=CCO[C@@H]1[C@@H]([C@H]34)[C@H]7C[C@@H]56)-c1[nH]c3cccc(OC)c3c1CC2 ZINC000255191379 717171013 /nfs/dbraw/zinc/17/10/13/717171013.db2.gz AAJSOHFSWPEFNN-HCXZYGGOSA-O 2 0 610.802 5.924 1 10 KKCFRP C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(C(N)=[NH2+])c2)cc1 ZINC000003815595 561682914 /nfs/dbraw/zinc/68/29/14/561682914.db2.gz UFKJQTGPBFWMGT-UHFFFAOYSA-O 2 0 546.695 5.679 1 10 in-vivo KKCFRP Nc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(N)ccc21 ZINC000004774594 561695302 /nfs/dbraw/zinc/69/53/02/561695302.db2.gz OTJSVCGSJOTTAC-UHFFFAOYSA-N 2 0 528.704 8.118 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000005208899 561695667 /nfs/dbraw/zinc/69/56/67/561695667.db2.gz NBJPDHSQVFIEFM-UHFFFAOYSA-N 3 0 628.604 8.697 1 10 KKCFRP CC[n+]1c2cc(NN=Nc3cccc(C(N)=[NH2+])c3)ccc2c2ccc(NN=Nc3cccc(C(N)=[NH2+])c3)cc2c1-c1ccccc1 ZINC000005608490 561697389 /nfs/dbraw/zinc/69/73/89/561697389.db2.gz VRTLWLWXILPSIL-UHFFFAOYSA-O 3 0 606.718 7.757 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1ccc(NC(=O)CC[NH+]3CCCC3)cc1c2Nc1ccccc1 ZINC000027517864 561861547 /nfs/dbraw/zinc/86/15/47/561861547.db2.gz ZNKVPVOXPBSQNP-UHFFFAOYSA-N 3 0 550.707 5.980 1 10 KKCFRP Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027519049 561862872 /nfs/dbraw/zinc/86/28/72/561862872.db2.gz IHUXQPBXHKKVJC-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[N@@H+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3cccs3)c2c1 ZINC000028642710 561943616 /nfs/dbraw/zinc/94/36/16/561943616.db2.gz LBWSEAJRPCWTMF-UHFFFAOYSA-N 3 0 724.758 10.671 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[N@@H+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccoc3)c2c1 ZINC000028642581 561943693 /nfs/dbraw/zinc/94/36/93/561943693.db2.gz HAIIIAQCMZGKEH-UHFFFAOYSA-N 3 0 708.690 10.203 1 10 KKCFRP CCC[N@H+](CCCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000029056894 561995224 /nfs/dbraw/zinc/99/52/24/561995224.db2.gz LIPNLLAVCDRLGB-UHFFFAOYSA-N 3 0 670.685 9.820 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH2+]CCCCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000029056923 561995242 /nfs/dbraw/zinc/99/52/42/561995242.db2.gz LMZVDHOLDQZDAE-UHFFFAOYSA-N 4 0 713.754 9.457 1 10 KKCFRP Oc1c(C[NH+]2CCCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc32)cc1C[NH+]1CCCCC1 ZINC000029485138 562028087 /nfs/dbraw/zinc/02/80/87/562028087.db2.gz IRJRHXOUHTZPLT-UHFFFAOYSA-N 2 0 556.754 8.476 1 10 KKCFRP O=S(=O)(CCNc1cc[nH+]c2ccccc12)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000031438801 562036213 /nfs/dbraw/zinc/03/62/13/562036213.db2.gz YMXFYLRFNQDRPL-UHFFFAOYSA-N 2 0 519.630 6.534 1 10 KKCFRP c1ccc2c(c1)CCc1ccccc1N2CCCN1CC[NH+](CCCCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000043543873 562649485 /nfs/dbraw/zinc/64/94/85/562649485.db2.gz SOUOMDSABHLXNZ-UHFFFAOYSA-N 2 0 569.797 7.525 1 10 KKCFRP CC(C)(C)[NH2+]Cc1c(O)cc(-c2ccc(C(F)(F)F)cc2)c(C[NH2+]C(C)(C)C)c1Nc1ccnc2cc(Cl)ccc21 ZINC000044069537 562652083 /nfs/dbraw/zinc/65/20/83/562652083.db2.gz ZONHTSYFAODNBF-UHFFFAOYSA-N 3 0 585.114 8.799 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCC[NH+](C)C)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049832503 562687199 /nfs/dbraw/zinc/68/71/99/562687199.db2.gz VZFJFSZCBBXKCG-UHFFFAOYSA-N 2 0 606.134 7.439 1 10 KKCFRP C[NH+]1CCC(NC(=O)c2cccc3c(NCCCCCCNc4c5ccccc5[nH+]c5c(C(=O)NC6CC[NH+](C)CC6)cccc45)c4ccccc4[nH+]c23)CC1 ZINC000049841273 562688203 /nfs/dbraw/zinc/68/82/03/562688203.db2.gz NIWVQGCVCSBDAQ-UHFFFAOYSA-N 4 0 750.992 7.822 1 10 KKCFRP Cc1ccc2ccc(C[NH2+]CCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c(O)c2n1 ZINC000053246957 562696898 /nfs/dbraw/zinc/69/68/98/562696898.db2.gz JJHPYTGZLSKTNZ-UHFFFAOYSA-N 2 0 510.726 7.608 1 10 KKCFRP Oc1c(C[NH2+]CCCCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc2cccnc21 ZINC000053297509 562697452 /nfs/dbraw/zinc/69/74/52/562697452.db2.gz SNVBZYHONRLDCQ-UHFFFAOYSA-N 2 0 538.780 8.470 1 10 KKCFRP c1ccc2c(c1)S/C1=C\C=C\c3sc4ccccc4[n+]3CCCCCCCCN3c4ccccc4S/C3=C\C=C\c3sc4ccccc4[n+]3CCCCCCCCN21 ZINC000095548756 562759452 /nfs/dbraw/zinc/75/94/52/562759452.db2.gz LAHCUXOYOVFSMX-UHFFFAOYSA-N 2 0 839.278 14.020 1 10 KKCFRP c1ccc2c(c1)S/C1=C\C=C\c3sc4ccccc4[n+]3CCCCCCN3c4ccccc4S/C3=C\C=C\c3sc4ccccc4[n+]3CCCCCCN21 ZINC000095548754 562759463 /nfs/dbraw/zinc/75/94/63/562759463.db2.gz IVQYZLKTERXNQH-UHFFFAOYSA-N 2 0 783.170 12.459 1 10 KKCFRP c1ccc2c(c1)S/C1=C\C=C\c3sc4ccccc4[n+]3CCCCCCCN3c4ccccc4S/C3=C\C=C\c3sc4ccccc4[n+]3CCCCCCCN21 ZINC000095548755 562759476 /nfs/dbraw/zinc/75/94/76/562759476.db2.gz RWAGHOQYCMUZMS-UHFFFAOYSA-N 2 0 811.224 13.240 1 10 KKCFRP CCC[NH+](CCC)Cc1ccc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc2)cc1O ZINC000095587153 562774208 /nfs/dbraw/zinc/77/42/08/562774208.db2.gz GCDNUMHYBQMKRX-AOJPLYQXSA-N 2 0 608.827 6.811 1 10 KKCFRP c1ccc(N2CCN(c3ccc(C[NH2+]C[C@@H]4CCC[C@H](C[NH2+]Cc5ccc(N6CCN(c7ccccc7)CC6)cc5)C4)cc3)CC2)cc1 ZINC000095592081 562775819 /nfs/dbraw/zinc/77/58/19/562775819.db2.gz SKNKBOSQZDTCLC-MAZIBIHTSA-N 2 0 642.936 7.026 1 10 KKCFRP C[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Nc2ccc(O)c(C[NH+]3CCCC3)c2)cc1)c1ccccc1 ZINC000095592774 562776049 /nfs/dbraw/zinc/77/60/49/562776049.db2.gz YMUWGOSCIABYBL-ITUZVUEHSA-N 2 0 578.757 5.784 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccc(Br)s3)c2c1 ZINC000095613066 562786039 /nfs/dbraw/zinc/78/60/39/562786039.db2.gz KDQFYFKKYJDXDM-UHFFFAOYSA-N 3 0 789.627 11.044 1 10 KKCFRP O=S(=O)(CCCNc1c2ccccc2[nH+]c2ccccc21)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095678327 562788326 /nfs/dbraw/zinc/78/83/26/562788326.db2.gz XTXOEYQJMFVCPJ-UHFFFAOYSA-N 2 0 583.717 8.077 1 10 KKCFRP O=S(=O)(CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095831710 562789348 /nfs/dbraw/zinc/78/93/48/562789348.db2.gz ULJPGESMYLBOTC-UHFFFAOYSA-N 2 0 752.922 9.540 1 10 KKCFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000096316654 562796518 /nfs/dbraw/zinc/79/65/18/562796518.db2.gz FLQQATFWBRDXHU-UHFFFAOYSA-N 2 0 610.931 8.286 1 10 KKCFRP Fc1ccc(N2CC[NH+](CCOc3ccc4c(c3)CN3CN4Cc4cc(OCC[NH+]5CCN(c6ccc(F)cc6)CC5)ccc43)CC2)cc1 ZINC000299824553 562883355 /nfs/dbraw/zinc/88/33/55/562883355.db2.gz HRYLIIWYGATYQR-UHFFFAOYSA-N 2 0 666.817 5.665 1 10 KKCFRP CC(=O)Nc1cccc(C2=C3C=CC(=N3)C(c3cc[n+](C)cc3)=C3C=CC(=N3)C(=C3C=CN(C)C=C3)c3ccc([nH]3)C(c3cc[n+](C)cc3)=C3C=CC2=N3)c1 ZINC000377829989 562896216 /nfs/dbraw/zinc/89/62/16/562896216.db2.gz GFLJKNPJDKJZJP-UHFFFAOYSA-O 2 0 718.865 6.977 1 10 KKCFRP CC[NH2+][C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(CC=C(C)C[C@@H](NC(=[NH2+])NC)c1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592621 291941684 /nfs/dbraw/zinc/94/16/84/291941684.db2.gz OCMAQXWBIHIHFU-OPCICMRFSA-N 2 0 684.882 5.084 1 10 biogenic,in-vitro KKCFRP COc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCNc1c2ccccc2[nH+]c2cc(OC)ccc21 ZINC000005371392 561695634 /nfs/dbraw/zinc/69/56/34/561695634.db2.gz UZZILANFHKZINP-UHFFFAOYSA-N 2 0 502.618 7.411 1 10 KKCFRP CCCOc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNc1c2ccccc2[nH+]c2cc(OCCC)ccc21 ZINC000005410977 561695945 /nfs/dbraw/zinc/69/59/45/561695945.db2.gz CLLTZCNPPDDQBR-UHFFFAOYSA-N 2 0 586.780 9.751 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C)[NH3+])c2c1 ZINC000026577618 561801958 /nfs/dbraw/zinc/80/19/58/561801958.db2.gz MLESNOKAVISIPE-QFIPXVFZSA-N 3 0 685.656 7.893 1 10 KKCFRP CN(C)c1cccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)c1 ZINC000027518086 561861814 /nfs/dbraw/zinc/86/18/14/561861814.db2.gz YAKHEUBJHCASDZ-UHFFFAOYSA-N 3 0 593.776 6.046 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1ccc(NC(=O)CC[NH+]3CCCC3)cc1c2NC1CCCCC1 ZINC000027518434 561862256 /nfs/dbraw/zinc/86/22/56/561862256.db2.gz KOZMBKDPRADOGA-UHFFFAOYSA-N 3 0 556.755 5.981 1 10 KKCFRP OCC[N@@H+](CCCNc1c2ccccc2[nH+]c2ccccc21)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028112655 561903249 /nfs/dbraw/zinc/90/32/49/561903249.db2.gz AOGQLQNSBYGTMC-UHFFFAOYSA-N 3 0 533.720 6.414 1 10 KKCFRP O=C(CCC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CCC[NH+]3CCCC3)ccc1c2Nc1ccc(NC(=O)CC[NH+]2CCCC2)cc1 ZINC000028567008 561936602 /nfs/dbraw/zinc/93/66/02/561936602.db2.gz NCHMNXXGXAICBE-UHFFFAOYSA-N 4 0 718.947 7.185 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3cccnc3)c2c1 ZINC000028639354 561942569 /nfs/dbraw/zinc/94/25/69/561942569.db2.gz CHCRSOUVPMPUIA-UHFFFAOYSA-N 3 0 705.690 9.615 1 10 KKCFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc(N(C)C)cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953992 561982752 /nfs/dbraw/zinc/98/27/52/561982752.db2.gz DZVVHXRWRSSYLZ-ZWXJPIIXSA-N 2 0 580.261 5.467 1 10 KKCFRP COc1ccc2[nH+]c3ccc(NCCCCNc4ccc5[nH+]c6ccc(OC)cc6c(N)c5c4)cc3c(N)c2c1 ZINC000058540807 562698918 /nfs/dbraw/zinc/69/89/18/562698918.db2.gz YIYPPVHINIBMKL-UHFFFAOYSA-N 2 0 532.648 6.575 1 10 KKCFRP C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNC(=O)c1cccc2ccccc21 ZINC000064540632 562707756 /nfs/dbraw/zinc/70/77/56/562707756.db2.gz NUWYXQPHWXKRFP-UHFFFAOYSA-N 2 0 561.730 6.235 1 10 KKCFRP C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNS(=O)(=O)c1ccc2cccnc2c1 ZINC000064559069 562708337 /nfs/dbraw/zinc/70/83/37/562708337.db2.gz VENFYBOXXAVHLF-UHFFFAOYSA-N 2 0 598.773 5.178 1 10 KKCFRP C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000082181726 562741923 /nfs/dbraw/zinc/74/19/23/562741923.db2.gz NBKIWKWHFOCOJZ-UHFFFAOYSA-P 2 0 684.750 5.067 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2Nc1ccc(F)cc1 ZINC000089723065 562753660 /nfs/dbraw/zinc/75/36/60/562753660.db2.gz LQGJGUQFBRHVRA-UHFFFAOYSA-N 3 0 568.697 6.120 1 10 KKCFRP COc1cc2c3c(n(CCC[NH2+]CCC[NH2+]CCCn4c5c(c6cc(OC)c(OC)cc6c4=O)C(=O)c4ccccc4-5)c(=O)c2cc1OC)-c1ccccc1C3=O ZINC000095541412 562756078 /nfs/dbraw/zinc/75/60/78/562756078.db2.gz RDAXUULQIMXUMI-UHFFFAOYSA-N 2 0 768.867 5.823 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000095542121 562756518 /nfs/dbraw/zinc/75/65/18/562756518.db2.gz KXHXDBKKINKVSR-RNMNAOLMSA-N 3 0 828.838 9.691 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CCN3CC[NH2+]CC3)c2c1 ZINC000095544676 562757815 /nfs/dbraw/zinc/75/78/15/562757815.db2.gz IKSDQFVVNGIQRY-UHFFFAOYSA-N 3 0 754.763 7.842 1 10 KKCFRP c1ccc(OCCCCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859260 562789640 /nfs/dbraw/zinc/78/96/40/562789640.db2.gz JKOZSPHRKPIPEF-UHFFFAOYSA-N 2 0 682.868 12.375 1 10 KKCFRP c1ccc(OCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859574 562789684 /nfs/dbraw/zinc/78/96/84/562789684.db2.gz NNSLKFQHNBGFRG-UHFFFAOYSA-N 2 0 598.706 10.034 1 10 KKCFRP CC[C@]12C=C[C@@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccc(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596054 562846683 /nfs/dbraw/zinc/84/66/83/562846683.db2.gz PXSZDFVNDBJNJT-XKDADYKASA-N 2 0 702.852 5.908 1 10 KKCFRP CN(C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1=C2)CCC[N+]=3CCCC(=O)NCCCCCC[NH2+]CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 ZINC000163828807 562849442 /nfs/dbraw/zinc/84/94/42/562849442.db2.gz ZZPOTJWVHFJRIX-UHFFFAOYSA-O 2 0 739.985 5.338 1 10 KKCFRP CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@@]45CC[N@+]6(C)CC7=CCO[C@@H]1[C@@H]([C@H]34)[C@H]7C[C@@H]56)-c1[nH]c3cccc(OC)c3c1CC2 ZINC000257373535 717177888 /nfs/dbraw/zinc/17/78/88/717177888.db2.gz AAJSOHFSWPEFNN-SCRMJXMWSA-O 2 0 610.802 5.924 1 10 KKCFRP CNC(=[NH2+])N[C@@H](CC(C)=CC[C@@]12O[C@]1(C(=O)OC[C@@H]1C[C@@H]3CCC=CC3=C[C@H]1[NH2+]CC1CCCCC1)C(=O)c1ccccc1C2=O)c1ccnc(N)c1 ZINC000085592618 291950252 /nfs/dbraw/zinc/95/02/52/291950252.db2.gz DRJAFKBCYMSAMV-MOQZSMLISA-N 2 0 720.915 5.756 1 10 biogenic,in-vitro KKCFRP Cc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(C)ccc21 ZINC000005395619 561695815 /nfs/dbraw/zinc/69/58/15/561695815.db2.gz NZOXHNUICDJAFT-UHFFFAOYSA-N 2 0 526.728 9.571 1 10 KKCFRP COc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(OC)ccc21 ZINC000005437499 561695981 /nfs/dbraw/zinc/69/59/81/561695981.db2.gz APEGUHYDSVLTGU-UHFFFAOYSA-N 2 0 558.726 8.971 1 10 KKCFRP CC(CCC(c1ccccc1)c1ccccc1)(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000026499439 561794994 /nfs/dbraw/zinc/79/49/94/561794994.db2.gz VKGJEYTUAKCDPJ-UHFFFAOYSA-N 2 0 630.917 9.768 1 10 KKCFRP [NH3+]CCCCCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)cc2)cc1 ZINC000026846519 561826520 /nfs/dbraw/zinc/82/65/20/561826520.db2.gz JWGFUCQMBNEALR-UHFFFAOYSA-N 2 0 503.650 7.837 1 10 KKCFRP Nc1cccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)c1 ZINC000027518087 561861845 /nfs/dbraw/zinc/86/18/45/561861845.db2.gz RGTBKYPFAIYIQE-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP CN(C)c1ccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027520374 561863502 /nfs/dbraw/zinc/86/35/02/561863502.db2.gz INVNMQKEIVCKFW-UHFFFAOYSA-N 3 0 593.776 6.046 1 10 KKCFRP Nc1ccc(Nc2c3cc(NC(=O)CC[NH+]4CCCC4)ccc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027520376 561863522 /nfs/dbraw/zinc/86/35/22/561863522.db2.gz YQJVVNZTCPSKPO-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP CC(=O)N(CCCNc1c2ccccc2[nH+]c2ccccc21)CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000028118010 561904037 /nfs/dbraw/zinc/90/40/37/561904037.db2.gz CCDMRUKANUNSOS-UHFFFAOYSA-N 2 0 531.704 6.968 1 10 KKCFRP CC[NH+](CC)CCN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000028459325 561924805 /nfs/dbraw/zinc/92/48/05/561924805.db2.gz YSXCBSOXVLCKAC-WJOKGBTCSA-N 2 0 565.803 5.306 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccccc3)c2c1 ZINC000028640783 561942887 /nfs/dbraw/zinc/94/28/87/561942887.db2.gz FGMYOAOMYWKIMI-UHFFFAOYSA-N 3 0 704.702 10.220 1 10 KKCFRP CCCCCC[NH+](CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000028640552 561942949 /nfs/dbraw/zinc/94/29/49/561942949.db2.gz UEQPICKVPRUXTO-UHFFFAOYSA-N 3 0 698.739 10.600 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccco3)c2c1 ZINC000028641191 561943220 /nfs/dbraw/zinc/94/32/20/561943220.db2.gz BARXRECUYGLVIR-UHFFFAOYSA-N 3 0 694.663 9.813 1 10 KKCFRP c1ccc2c(c1)CCc1ccccc1N2CCCN1CC[NH+](CCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000043150971 562646403 /nfs/dbraw/zinc/64/64/03/562646403.db2.gz OGBCUZPRUIHGDG-UHFFFAOYSA-N 2 0 541.743 6.745 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCN4c5ccccc5CCc5ccccc54)CC3)c2c1 ZINC000043543885 562649496 /nfs/dbraw/zinc/64/94/96/562649496.db2.gz DGAKTTSHHVISEQ-UHFFFAOYSA-N 2 0 620.241 7.797 1 10 KKCFRP CC(C)(C)[NH2+]Cc1c(O)cc(-c2ccc(Cl)cc2)c(C[NH2+]C(C)(C)C)c1Nc1ccnc2cc(Cl)ccc21 ZINC000043543950 562649573 /nfs/dbraw/zinc/64/95/73/562649573.db2.gz DMOICIGGLIWPBD-UHFFFAOYSA-N 2 0 551.562 8.434 1 10 KKCFRP COc1cc2c3c(n(CCC[NH2+]CCC[NH2+]CCCn4c5c(c6ccccc6c4=O)C(=O)c4ccccc4-5)c(=O)c2cc1OC)-c1ccccc1C3=O ZINC000049938235 562695173 /nfs/dbraw/zinc/69/51/73/562695173.db2.gz JULIXIFRZRRLSM-UHFFFAOYSA-N 2 0 708.815 5.806 1 10 KKCFRP Oc1c(C[NH2+]CCCCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)ccc2cccnc21 ZINC000053243887 562696832 /nfs/dbraw/zinc/69/68/32/562696832.db2.gz ZVZBTSRMSDMCLW-UHFFFAOYSA-N 2 0 510.726 7.690 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccccc3-c3ccccc3Nc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000082185175 562742232 /nfs/dbraw/zinc/74/22/32/562742232.db2.gz WAONKDINIIPATP-UHFFFAOYSA-N 2 0 667.596 11.568 1 10 KKCFRP COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)[NH2+][C@@H]4C)cc(-c3cc(-c4c(O)cc(OC)c5c4C[C@@H](C)[NH2+][C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000085643649 562753337 /nfs/dbraw/zinc/75/33/37/562753337.db2.gz ZWXPIGTZTDZJFU-ZGFBMJKBSA-N 2 0 770.923 9.355 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c2c1 ZINC000095544706 562757807 /nfs/dbraw/zinc/75/78/07/562757807.db2.gz PSHSYDUFXWIGEA-DIPNUNPCSA-N 2 0 801.772 8.432 1 10 KKCFRP C[NH+]1CCC(NC(=O)c2cccc3c(NCCC[NH2+]CCCNc4c5ccccc5[nH+]c5c(C(=O)NC6CC[NH+](C)CC6)cccc45)c4ccccc4[nH+]c23)CC1 ZINC000095615049 562787034 /nfs/dbraw/zinc/78/70/34/562787034.db2.gz CJVPWACFMLWPHS-UHFFFAOYSA-N 5 0 766.007 6.631 1 10 KKCFRP CC[C@]12C=CC[N@H+]3CC[C@@]4(c5cc([C@@H]6C[C@]78c9ccccc9N[C@@]79CC[C@]7(C=CC[NH+]6[C@H]87)C[C@H]9C(=O)OC)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000169310408 562854821 /nfs/dbraw/zinc/85/48/21/562854821.db2.gz NDMDKGFUSZTFFJ-SFEAUGSQSA-N 2 0 686.853 5.687 1 10 KKCFRP CC[NH2+][C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1cc[nH+]c(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592601 565147982 /nfs/dbraw/zinc/14/79/82/565147982.db2.gz QYJKVJJDDBNHEJ-UVXBWMKASA-N 2 0 667.847 5.515 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OC3CC[NH2+]CC3)c2)ccc1O ZINC000085625428 565158979 /nfs/dbraw/zinc/15/89/79/565158979.db2.gz GRRUUTDFASWPQM-GRKNLSHJSA-N 2 0 646.825 5.948 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CC[NH2+]CC34CCCC4)c2)ccc1O ZINC000085625404 565159069 /nfs/dbraw/zinc/15/90/69/565159069.db2.gz OHBRWRLFPZUTLS-YWGNDTQSSA-N 2 0 632.798 5.459 1 10 biogenic,in-vitro KKCFRP C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5N5C=C(c6cc7[n+](cc6CC)CCc6c8ccccc8[nH]c6-7)[C@H](O)[C@H]([C@H]53)[C@H]1C[C@@H]42 ZINC000238768653 717163032 /nfs/dbraw/zinc/16/30/32/717163032.db2.gz XLYRMGWBFRJWAJ-MERFMSCRSA-O 2 0 582.792 5.898 1 10 KKCFRP CCCOc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(OCCC)ccc21 ZINC000005437298 561695899 /nfs/dbraw/zinc/69/58/99/561695899.db2.gz BBHSRUOWMQUERS-UHFFFAOYSA-N 2 0 614.834 10.532 1 10 KKCFRP CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H]([NH2+]Cc1ccc(O)c(C[NH+](C)C)c1)c1ccccc1 ZINC000013737283 561725713 /nfs/dbraw/zinc/72/57/13/561725713.db2.gz IONCYNUDOKQVJT-NDEPHWFRSA-N 2 0 502.703 6.353 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CCC(N)=O)c2c1 ZINC000026579570 561804984 /nfs/dbraw/zinc/80/49/84/561804984.db2.gz VFONIYULTILXRA-UHFFFAOYSA-N 2 0 713.666 7.812 1 10 KKCFRP C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc2n3)cc1 ZINC000027518761 561862468 /nfs/dbraw/zinc/86/24/68/561862468.db2.gz XQVGTZGCVGMMGP-UHFFFAOYSA-O 3 0 662.821 8.012 1 10 KKCFRP CN(C)c1cccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)c1 ZINC000027519078 561862894 /nfs/dbraw/zinc/86/28/94/561862894.db2.gz YCFCIZUOTBKURN-UHFFFAOYSA-N 3 0 593.776 6.046 1 10 KKCFRP CC[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](CC)cc3)c3ccc([nH]3)c(-c3cc[n+](CC)cc3)c3ccc([nH]3)c(-c3cc[n+](CC)cc3)c3ccc2n3)cc1 ZINC000027519915 561863291 /nfs/dbraw/zinc/86/32/91/561863291.db2.gz IXTBSPBWUDCDBO-UHFFFAOYSA-O 4 0 734.952 8.768 1 10 KKCFRP O=C(c1cccc2c(NCCCC[NH2+]CCCNc3c4ccccc4[nH+]c4c(C(=O)N5CCOCC5)cccc34)c3ccccc3[nH+]c12)N1CCOCC1 ZINC000027655874 561877566 /nfs/dbraw/zinc/87/75/66/561877566.db2.gz GDZZEMBSGNYUJH-UHFFFAOYSA-N 3 0 725.894 6.318 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000028567124 561936611 /nfs/dbraw/zinc/93/66/11/561936611.db2.gz WHGDFNLNGDQEPW-UHFFFAOYSA-N 4 0 690.893 6.405 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[N@@H+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccsc3)c2c1 ZINC000028642712 561943833 /nfs/dbraw/zinc/94/38/33/561943833.db2.gz SHIOTDJDYPVMLZ-UHFFFAOYSA-N 3 0 724.758 10.671 1 10 KKCFRP Cc1cccc(CNc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)c1 ZINC000028878740 561976047 /nfs/dbraw/zinc/97/60/47/561976047.db2.gz GEXLSMWQIPHMJU-UHFFFAOYSA-N 3 0 578.761 6.157 1 10 KKCFRP Cc1cccc(CNc2c3ccc(NC(=O)CC[NH+]4CCC(C)CC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCC(C)CC4)ccc32)c1 ZINC000028878774 561976168 /nfs/dbraw/zinc/97/61/68/561976168.db2.gz URTXCSNQUDVYOC-UHFFFAOYSA-N 3 0 634.869 7.430 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCN1CC[NH+](CCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000029335316 562014193 /nfs/dbraw/zinc/01/41/93/562014193.db2.gz TWRAOHAOFXWIAQ-UHFFFAOYSA-N 3 0 526.688 6.231 1 10 KKCFRP c1ccc(N(CCCN2CC[NH+](CCNc3c4ccccc4[nH+]c4ccccc43)CC2)c2ccccc2)cc1 ZINC000040764162 562079479 /nfs/dbraw/zinc/07/94/79/562079479.db2.gz OABAOAIXGOPYON-UHFFFAOYSA-N 2 0 515.705 6.646 1 10 KKCFRP CC(C)[NH+]1CCN(c2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)c(C(F)(F)F)c2)CC1 ZINC000049626809 562667408 /nfs/dbraw/zinc/66/74/08/562667408.db2.gz VIAXTWXGUBRPEL-UHFFFAOYSA-N 2 0 573.531 6.524 1 10 KKCFRP Cc1cccc([C@@H]2C[N@H+](CCCc3cn(CCC[NH+]4CCN(c5nsc6ccccc65)CC4)nn3)CCc3cc(O)c(O)cc32)c1 ZINC000049744848 562673529 /nfs/dbraw/zinc/67/35/29/562673529.db2.gz DQLPWXJRZDXPLZ-YTTGMZPUSA-N 2 0 637.854 5.443 1 10 KKCFRP CC[NH+](CC)CCNc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(Nc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)cc2)n1 ZINC000049775479 562679120 /nfs/dbraw/zinc/67/91/20/562679120.db2.gz XZEPWKNEULYDEN-UHFFFAOYSA-N 2 0 652.178 8.359 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCCCCNC(=O)c3cccc4ccccc43)c3ccccc3[nH+]c12 ZINC000064540630 562707763 /nfs/dbraw/zinc/70/77/63/562707763.db2.gz YVLYLAFQQXOYEP-UHFFFAOYSA-N 2 0 561.730 6.235 1 10 KKCFRP Cc1ccc2c(sc(-c3ccc4c(c3)sc(-c3ccc5c(c3)sc(-c3ccc(N(C)C)cc3)[n+]5C)[n+]4C)[n+]2C)c1S(=O)(=O)[O-] ZINC000082185307 562742261 /nfs/dbraw/zinc/74/22/61/562742261.db2.gz GJPMVYADDJKGMB-UHFFFAOYSA-O 2 0 659.904 6.426 1 10 KKCFRP CSc1cccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)c1 ZINC000089723063 562753587 /nfs/dbraw/zinc/75/35/87/562753587.db2.gz UIGJUBXBKNCIIG-UHFFFAOYSA-N 3 0 596.801 6.702 1 10 KKCFRP O=C(CC(CC(=O)NCCNc1c2ccccc2[nH+]c2ccccc21)Nc1c2ccccc2[nH+]c2ccccc21)NCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000095539813 562755304 /nfs/dbraw/zinc/75/53/04/562755304.db2.gz USYWRDNOWIGUML-UHFFFAOYSA-N 3 0 762.918 8.808 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H]3OC(C)(C)O[C@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000095542123 562756527 /nfs/dbraw/zinc/75/65/27/562756527.db2.gz KXHXDBKKINKVSR-IWJNXRQDSA-N 3 0 828.838 9.691 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H]3OC(C)(C)O[C@@H]3[C@H]3COC(C)(C)O3)c2c1 ZINC000095542120 562756534 /nfs/dbraw/zinc/75/65/34/562756534.db2.gz KXHXDBKKINKVSR-UCTUJQEWSA-N 3 0 828.838 9.691 1 10 KKCFRP c1ccc2c(c1)S/C1=C\C=C\c3sc4ccccc4[n+]3CCCCCN3c4ccccc4S/C3=C\C=C\c3sc4ccccc4[n+]3CCCCCN21 ZINC000095548753 562759480 /nfs/dbraw/zinc/75/94/80/562759480.db2.gz YJMDHYKUCSPHIQ-UHFFFAOYSA-N 2 0 755.116 11.679 1 10 KKCFRP CC[NH+](CC)CCn1nc2c3c1ccc(NCCC[NH+](C)CCCNc1ccc4c5c(nn4CC[NH+](CC)CC)-c4cnccc4C(=O)c51)c3C(=O)c1ccncc1-2 ZINC000095608043 562783284 /nfs/dbraw/zinc/78/32/84/562783284.db2.gz GYWNQITWLLOMJS-UHFFFAOYSA-N 3 0 782.010 6.518 1 10 KKCFRP CC[NH+](CC)CCNc1ccc(NCCCN(C)CCCNc2ccc(NCC[NH+](CC)CC)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O ZINC000095608129 562783385 /nfs/dbraw/zinc/78/33/85/562783385.db2.gz JCMJWLUGGQMAOP-UHFFFAOYSA-N 2 0 788.010 5.771 1 10 KKCFRP O=C(c1cccc2c(NCCN3CC[NH+](CCNc4c5ccccc5[nH+]c5c(C(=O)N6CCOCC6)cccc45)CC3)c3ccccc3[nH+]c12)N1CCOCC1 ZINC000095612042 562785189 /nfs/dbraw/zinc/78/51/89/562785189.db2.gz FTENBEAIZYDUEE-UHFFFAOYSA-N 3 0 752.920 5.176 1 10 KKCFRP CC[NH+](CC)CCn1nc2c3c1ccc(NCCC[NH+](C)CCCNc1ccc4c5c(nn4CC[NH+](CC)CC)-c4ccncc4C(=O)c51)c3C(=O)c1cnccc1-2 ZINC000095613445 562786316 /nfs/dbraw/zinc/78/63/16/562786316.db2.gz FTSRAEZRGCVHFY-UHFFFAOYSA-N 3 0 782.010 6.518 1 10 KKCFRP COc1cc(NS(=O)(=O)CCCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)c(OC)c2)ccc1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000095721509 562788727 /nfs/dbraw/zinc/78/87/27/562788727.db2.gz DAGQQEQAQXEXGC-UHFFFAOYSA-N 2 0 827.001 9.948 1 10 KKCFRP O=S(=O)(CCCCCCNc1c2ccccc2[nH+]c2ccccc21)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095785561 562789063 /nfs/dbraw/zinc/78/90/63/562789063.db2.gz VTBBHJZHYPLZQN-UHFFFAOYSA-N 2 0 625.798 9.247 1 10 KKCFRP O=S(=O)(CCNc1c2ccccc2[nH+]c2ccccc21)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095795116 562789117 /nfs/dbraw/zinc/78/91/17/562789117.db2.gz JQGVJRLJLVGXDU-UHFFFAOYSA-N 2 0 569.690 7.687 1 10 KKCFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[NH+](C)[C@H]3Cc1ccc(cc1)COc1c(O)c3c(cc1OC)CC[N@@H+](C)[C@H]3C2 ZINC000169357014 562863888 /nfs/dbraw/zinc/86/38/88/562863888.db2.gz MQZWKVWAJXYNKC-KYJUHHDHSA-N 2 0 622.762 6.646 1 10 KKCFRP Cn1ccc2c3ccccc3nc-2c1C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000377820937 562896156 /nfs/dbraw/zinc/89/61/56/562896156.db2.gz XSWRGRVWQZJKQT-FWOCMLHMSA-N 2 0 562.802 6.818 1 10 KKCFRP Oc1c2cc(I)cc1C[NH+]=C1C=CN(CCCCCN3C=CC(=[NH+]C2)c2ccccc23)c2ccccc21 ZINC000377845667 562896329 /nfs/dbraw/zinc/89/63/29/562896329.db2.gz NKBVTOJGFPNPAT-UHFFFAOYSA-N 2 0 600.504 6.827 1 10 KKCFRP C[NH2+]Cc1cc(CCC(=O)CC(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@@H]2CCCCc2cccc(O)c2)cc(OC)c1O ZINC000085626944 565160268 /nfs/dbraw/zinc/16/02/68/565160268.db2.gz XZAPHXISWCHOMV-NWWLCHBLSA-N 2 0 622.766 5.837 1 10 biogenic,in-vitro KKCFRP CCCCN(CCCC)c1ccc(/C=C/C=C/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 ZINC000059046991 717131092 /nfs/dbraw/zinc/13/10/92/717131092.db2.gz JGVVSBSPWPPLRS-UHFFFAOYSA-N 2 0 503.819 7.930 1 10 in-vitro KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000005208892 561695672 /nfs/dbraw/zinc/69/56/72/561695672.db2.gz ZLKQNHDIOGPKMI-UHFFFAOYSA-N 2 0 610.890 12.075 1 10 KKCFRP CCCCOc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(OCCCC)cccc34)c3ccccc3[nH+]c12 ZINC000005410972 561695820 /nfs/dbraw/zinc/69/58/20/561695820.db2.gz HXWHDLGFZHJTQF-UHFFFAOYSA-N 2 0 642.888 11.312 1 10 KKCFRP C[C@@H](NC(=O)c1ccccc1)C(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000014299994 561739542 /nfs/dbraw/zinc/73/95/42/561739542.db2.gz DPCLHCBIRDCSNZ-HHHXNRCGSA-N 2 0 569.790 6.800 1 10 KKCFRP O=C(NCC(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccccc1 ZINC000026495432 561794235 /nfs/dbraw/zinc/79/42/35/561794235.db2.gz HRHGWYKAWJOROR-UHFFFAOYSA-N 2 0 555.763 6.412 1 10 KKCFRP Cn1cc(-c2cc(NC(=O)CCC(=O)Nc3cc(CO)cc(Nc4c5ccccc5[nH+]c5ccccc54)c3)cn2C)cc1C(=O)NCC[NH+](C)C ZINC000027518513 561862445 /nfs/dbraw/zinc/86/24/45/561862445.db2.gz MKBMLKCAWIBNKW-UHFFFAOYSA-N 2 0 686.817 5.617 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc3c(Nc3ccccc3)c2c1 ZINC000027519574 561863128 /nfs/dbraw/zinc/86/31/28/561863128.db2.gz LHNWVALUXOHYJY-UHFFFAOYSA-N 3 0 550.707 5.980 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)c3ccccc3[nH+]c12 ZINC000027651333 561876648 /nfs/dbraw/zinc/87/66/48/561876648.db2.gz UUXARTGDSXDSRM-UHFFFAOYSA-N 4 0 726.970 7.537 1 10 in-vitro KKCFRP CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCCC[NH+]4CCCC4)ccc32)cc1 ZINC000028568108 561937088 /nfs/dbraw/zinc/93/70/88/561937088.db2.gz JANBDPPHVAVVMX-UHFFFAOYSA-N 3 0 649.884 7.607 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[N@@H+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccco3)c2c1 ZINC000028641195 561943200 /nfs/dbraw/zinc/94/32/00/561943200.db2.gz ZCGJIXWJXBYPIB-UHFFFAOYSA-N 3 0 708.690 10.203 1 10 KKCFRP CCc1ccc(C[NH+](CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)o1 ZINC000028642578 561943710 /nfs/dbraw/zinc/94/37/10/561943710.db2.gz ARULGTNIBKNSHF-UHFFFAOYSA-N 3 0 722.717 10.375 1 10 KKCFRP Cn1nc(C(=O)NCCCNc2c3ccccc3[nH+]c3ccccc32)cc1C(=O)NCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029336498 562014437 /nfs/dbraw/zinc/01/44/37/562014437.db2.gz MVSSFZSCLUSQPV-UHFFFAOYSA-N 2 0 636.760 6.287 1 10 KKCFRP CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H]([NH2+]Cc1ccc(O)c(C[NH+](C)C)c1)c1ccccc1 ZINC000029482421 562027628 /nfs/dbraw/zinc/02/76/28/562027628.db2.gz IONCYNUDOKQVJT-MUUNZHRXSA-N 2 0 502.703 6.353 1 10 KKCFRP c1ccc(OCCCCCCNc2cc[nH+]c3ccccc23)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000032130659 562037024 /nfs/dbraw/zinc/03/70/24/562037024.db2.gz PSNLYTMWDDGYMU-UHFFFAOYSA-N 2 0 512.657 8.731 1 10 KKCFRP C[N@H+](CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21)Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000040862160 562080801 /nfs/dbraw/zinc/08/08/01/562080801.db2.gz DSRXHDAICZGTCK-ORBVJSQLSA-N 2 0 533.181 8.013 1 10 in-vitro KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCN4c5ccccc5Sc5ccccc54)CC3)c2c1 ZINC000043532620 562649381 /nfs/dbraw/zinc/64/93/81/562649381.db2.gz QVBRWJNQQGZYOX-UHFFFAOYSA-N 2 0 624.254 8.163 1 10 KKCFRP COc1ccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)CC2)c(OC)c1 ZINC000049625705 562666807 /nfs/dbraw/zinc/66/68/07/562666807.db2.gz XPMXMJQGODXVGJ-UHFFFAOYSA-N 2 0 571.549 5.955 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCC[NH+](C)C)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049775473 562679077 /nfs/dbraw/zinc/67/90/77/562679077.db2.gz KPABZGMYVOPXDS-UHFFFAOYSA-N 2 0 620.161 7.829 1 10 KKCFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccc(O)c([C@@H]5CCC[NH+]5C)c4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000049881854 562691180 /nfs/dbraw/zinc/69/11/80/562691180.db2.gz MHIOYLXTHAIJLU-SPEWGCNSSA-N 2 0 553.795 6.258 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCCCCNS(=O)(=O)c3ccc4cccnc4c3)c3ccccc3[nH+]c12 ZINC000064559068 562708305 /nfs/dbraw/zinc/70/83/05/562708305.db2.gz FTXUMWBNRTZKCQ-UHFFFAOYSA-N 2 0 598.773 5.178 1 10 KKCFRP CC1(C)c2cc(Br)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Br)cc2C1(C)C ZINC000084688942 562749323 /nfs/dbraw/zinc/74/93/23/562749323.db2.gz TXXWZCUWVCEGME-UHFFFAOYSA-N 3 0 687.629 8.018 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CNC(=O)OC(C)(C)C)c2c1 ZINC000095544681 562757786 /nfs/dbraw/zinc/75/77/86/562757786.db2.gz GSPJJCDRXMJKAL-UHFFFAOYSA-N 2 0 771.746 9.071 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095608268 562783445 /nfs/dbraw/zinc/78/34/45/562783445.db2.gz VNZBWLPJJMSMAY-AREMUKBSSA-N 2 0 799.800 9.850 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccc(F)cc3F)c2c1 ZINC000095612896 562785874 /nfs/dbraw/zinc/78/58/74/562785874.db2.gz FDKWZOPEJDOUNP-UHFFFAOYSA-N 3 0 740.682 10.498 1 10 KKCFRP O=S(=O)(CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095721511 562788709 /nfs/dbraw/zinc/78/87/09/562788709.db2.gz RIRQQPDAFDZPCE-UHFFFAOYSA-N 2 0 766.949 9.931 1 10 KKCFRP c1ccc(OCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859259 562789608 /nfs/dbraw/zinc/78/96/08/562789608.db2.gz QNIMNAVFNIBCHS-UHFFFAOYSA-N 2 0 640.787 11.205 1 10 KKCFRP c1ccc(OCCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859262 562789613 /nfs/dbraw/zinc/78/96/13/562789613.db2.gz RXJNISWOMFWARF-UHFFFAOYSA-N 2 0 654.814 11.595 1 10 KKCFRP c1ccc(OCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859254 562789616 /nfs/dbraw/zinc/78/96/16/562789616.db2.gz INLBFKJBWPPVDJ-UHFFFAOYSA-N 2 0 626.760 10.815 1 10 KKCFRP O=C(CC[NH+]1CCCCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+]3CCCCCCC3)cc1C2=O ZINC000198764260 562872843 /nfs/dbraw/zinc/87/28/43/562872843.db2.gz DOMCCQXROQQPDQ-UHFFFAOYSA-N 2 0 572.750 5.651 1 10 KKCFRP COc1ccccc1N1CC[NH+](CCOc2ccc3c(c2)CN2CN3Cc3cc(OCC[NH+]4CCN(c5ccccc5OC)CC4)ccc32)CC1 ZINC000299832821 562885970 /nfs/dbraw/zinc/88/59/70/562885970.db2.gz WIALNHNSZWARRM-UHFFFAOYSA-N 2 0 690.889 5.404 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000026579240 561804378 /nfs/dbraw/zinc/80/43/78/561804378.db2.gz DRDILVFOZFUIBO-UHFFFAOYSA-N 2 0 599.562 9.498 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](N)C[NH3+])c2c1 ZINC000026642003 561806862 /nfs/dbraw/zinc/80/68/62/561806862.db2.gz FDRJQFDFMKCKKH-PMERELPUSA-N 3 0 700.671 6.832 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](N)C[NH3+])c2c1 ZINC000026642010 561806880 /nfs/dbraw/zinc/80/68/80/561806880.db2.gz FDRJQFDFMKCKKH-SSEXGKCCSA-N 3 0 700.671 6.832 1 10 KKCFRP CCC[NH+](CCCCCC[N@@H+](CCC)CCOc1ccccc1OC)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000026674401 561813521 /nfs/dbraw/zinc/81/35/21/561813521.db2.gz OMQFHIBADXAGRQ-SANMLTNESA-N 2 0 512.735 6.027 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NCc1cccnc1 ZINC000027517523 561861301 /nfs/dbraw/zinc/86/13/01/561861301.db2.gz ZMYGHFCQYSJDJS-UHFFFAOYSA-N 3 0 565.722 5.244 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc3c(Nc3ccccc3O)c2c1 ZINC000027517942 561861718 /nfs/dbraw/zinc/86/17/18/561861718.db2.gz QFRLYNKFWLURMD-UHFFFAOYSA-N 3 0 566.706 5.686 1 10 KKCFRP CN(C)c1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)cc1 ZINC000027518281 561862147 /nfs/dbraw/zinc/86/21/47/561862147.db2.gz IRDQGCHNDFZCAF-UHFFFAOYSA-N 3 0 593.776 6.046 1 10 KKCFRP Nc1ccccc1Nc1c2cc(NC(=O)CC[NH+]3CCCC3)ccc2[nH+]c2ccc(NC(=O)CC[NH+]3CCCC3)cc21 ZINC000027519329 561863036 /nfs/dbraw/zinc/86/30/36/561863036.db2.gz ZKZZIOIEKVPIQX-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@H](O)CO)c2c1 ZINC000028639644 561942574 /nfs/dbraw/zinc/94/25/74/561942574.db2.gz KWSVRSPRLDAQNC-VWLOTQADSA-N 3 0 688.656 7.373 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[N@@H+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)CC3CC3)c2c1 ZINC000028640550 561942925 /nfs/dbraw/zinc/94/29/25/561942925.db2.gz RNDDDIAUZJAXJC-UHFFFAOYSA-N 3 0 682.696 9.820 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C)[NH3+])c2c1 ZINC000029056871 561995267 /nfs/dbraw/zinc/99/52/67/561995267.db2.gz RFULEDGUASZZLZ-QHCPKHFHSA-N 3 0 699.683 8.284 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCCNc3c4ccccc4[nH+]c4ccccc43)c2c1 ZINC000029251442 562011268 /nfs/dbraw/zinc/01/12/68/562011268.db2.gz SLWBSFDUIHAUMA-UHFFFAOYSA-N 3 0 550.106 7.645 1 10 KKCFRP COc1cccc2c(NCCCCCCNc3c4ccccc4[nH+]c4c(OC)cccc34)c3ccccc3[nH+]c12 ZINC000031343417 562036001 /nfs/dbraw/zinc/03/60/01/562036001.db2.gz WYYMASKCCMDWMN-UHFFFAOYSA-N 2 0 530.672 8.191 1 10 KKCFRP c1ccc(N(CCCN2CC[NH+](CCCNc3c4ccccc4[nH+]c4ccccc43)CC2)c2ccccc2)cc1 ZINC000040576076 562078294 /nfs/dbraw/zinc/07/82/94/562078294.db2.gz VFVSERXNRCNWCG-UHFFFAOYSA-N 2 0 529.732 7.036 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(Cc2cccc(Nc3c4ccccc4[nH+]c4ccccc43)c2)cc1 ZINC000049605732 562666332 /nfs/dbraw/zinc/66/63/32/562666332.db2.gz IVDUBMBVOXAKTJ-UHFFFAOYSA-N 2 0 552.681 10.167 1 10 KKCFRP COc1ccc2[nH+]c3cc(NCCCCCCCNc4ccc5[nH+]c6ccc(OC)cc6c(N)c5c4)ccc3c(N)c2c1 ZINC000058534807 562698712 /nfs/dbraw/zinc/69/87/12/562698712.db2.gz XUKOMOMSRPNNPM-UHFFFAOYSA-N 2 0 574.729 7.746 1 10 KKCFRP C[NH+](C)CCNC(=O)c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNC(=O)c1ccc2ccccc2n1 ZINC000064559259 562708399 /nfs/dbraw/zinc/70/83/99/562708399.db2.gz NINHZSJQKGWPPD-UHFFFAOYSA-N 2 0 562.718 5.630 1 10 KKCFRP CC1(C)c2ccccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccccc2C1(C)C ZINC000084742010 562752213 /nfs/dbraw/zinc/75/22/13/562752213.db2.gz BRANMQHRNKKAIO-UHFFFAOYSA-N 3 0 529.837 6.493 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095540494 562755753 /nfs/dbraw/zinc/75/57/53/562755753.db2.gz LYRXTUKNCWBKDW-SANMLTNESA-N 2 0 842.825 8.576 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](CCCC[NH3+])NC(=O)OC(C)(C)C)c2c1 ZINC000095545462 562758066 /nfs/dbraw/zinc/75/80/66/562758066.db2.gz XXGNVUVMNONZCU-LHEWISCISA-N 3 0 842.869 9.569 1 10 KKCFRP COc1cc2c3c(n(CC[NH2+]CCC[NH2+]CCn4c5c(c6cc(OC)c(OC)cc6c4=O)C(=O)c4ccccc4-5)c(=O)c2cc1OC)-c1ccccc1C3=O ZINC000095608064 562783322 /nfs/dbraw/zinc/78/33/22/562783322.db2.gz DKVWONSQRZCQDD-UHFFFAOYSA-N 2 0 740.813 5.043 1 10 KKCFRP O=S(=O)(CCCNc1cc[nH+]c2ccccc12)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095678329 562788311 /nfs/dbraw/zinc/78/83/11/562788311.db2.gz ZMAUTPMZYBLUGN-UHFFFAOYSA-N 2 0 533.657 6.924 1 10 KKCFRP CCCOc1cccc2c(NCCCCNc3c4ccccc4[nH+]c4c(OCCC)cccc34)c3ccccc3[nH+]c12 ZINC000138411793 562831851 /nfs/dbraw/zinc/83/18/51/562831851.db2.gz SSXYIHAYDHYEJR-UHFFFAOYSA-N 2 0 558.726 8.971 1 10 KKCFRP C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(NN=Nc5ccc(C(N)=[NH2+])cc5)cc4)cc3)cc2)c1 ZINC000169331546 562859014 /nfs/dbraw/zinc/85/90/14/562859014.db2.gz HDFBWFOUHZYKKN-UHFFFAOYSA-O 2 0 612.674 5.663 1 10 KKCFRP O=c1[nH]c2c([nH]1)c([N+](=O)[O-])c(Nc1c3ccccc3[nH+]c3ccccc31)c([N+](=O)[O-])c2Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005596524 561697427 /nfs/dbraw/zinc/69/74/27/561697427.db2.gz QRWUUGVTURCNBF-UHFFFAOYSA-N 2 0 608.574 7.563 1 10 KKCFRP CCC[N+](C)(CCC)CCC(=O)Nc1ccc(NC(=O)CC[N+](C)(CCC)CCC)c2c1C(=O)c1ccccc1C2=O ZINC000026976278 561830964 /nfs/dbraw/zinc/83/09/64/561830964.db2.gz WBABCJKEJWVBJL-UHFFFAOYSA-P 2 0 578.798 5.652 1 10 KKCFRP Cn1cc(NC(=O)CCCC(=O)Nc2cc(CO)cc(Nc3c4ccccc4[nH+]c4ccccc43)c2)cc1C(=O)NCC[NH+](C)C ZINC000027522169 561864411 /nfs/dbraw/zinc/86/44/11/561864411.db2.gz QVGFSMFTJXLXEE-UHFFFAOYSA-N 2 0 621.742 5.001 1 10 KKCFRP Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000027520589 561863692 /nfs/dbraw/zinc/86/36/92/561863692.db2.gz HLLJBPYCYHVFKM-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP Oc1ccc2c(c1)sc(-c1ccc(OCC[NH+]3CCCC3)cc1)c2Cc1ccc(C[NH+]2CCCC2)c(O)c1 ZINC000028223294 561907532 /nfs/dbraw/zinc/90/75/32/561907532.db2.gz FWXFFAQBLUCZPF-UHFFFAOYSA-N 2 0 528.718 6.641 1 10 KKCFRP O=C(CCCCC(=O)N1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000028364205 561917233 /nfs/dbraw/zinc/91/72/33/561917233.db2.gz LEMJBKXSKVGUTP-UHFFFAOYSA-N 3 0 746.957 7.102 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H]3COC(C)(C)O3)c2c1 ZINC000028639634 561942581 /nfs/dbraw/zinc/94/25/81/561942581.db2.gz BPLKVGXDZXUONV-GDLZYMKVSA-N 3 0 728.721 9.171 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCN(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000043532491 562649311 /nfs/dbraw/zinc/64/93/11/562649311.db2.gz LVNZBTYSQFCZQN-UHFFFAOYSA-N 2 0 594.203 7.698 1 10 KKCFRP c1ccc2c(c1)CCc1ccccc1N2CCCN1CC[NH+](CCCNc2c3ccccc3[nH+]c3ccccc32)CC1 ZINC000043620455 562650263 /nfs/dbraw/zinc/65/02/63/562650263.db2.gz LVCSSHVDDZSJFQ-UHFFFAOYSA-N 2 0 555.770 7.135 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH+]3CCN(CCCN4c5ccccc5Sc5ccccc54)CC3)c2c1 ZINC000044306304 562653714 /nfs/dbraw/zinc/65/37/14/562653714.db2.gz XPYLJEYGJULWNO-UHFFFAOYSA-N 2 0 610.227 7.773 1 10 KKCFRP Cc1cccc([C@H]2C[N@H+](CCCc3cn(CCC[NH+]4CCN(c5nsc6ccccc65)CC4)nn3)CCc3cc(O)c(O)cc32)c1 ZINC000049744850 562673559 /nfs/dbraw/zinc/67/35/59/562673559.db2.gz DQLPWXJRZDXPLZ-JGCGQSQUSA-N 2 0 637.854 5.443 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCC[NH+](C)C)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049780335 562681624 /nfs/dbraw/zinc/68/16/24/562681624.db2.gz QLRAIPMVEIYDJA-UHFFFAOYSA-N 2 0 638.151 7.969 1 10 KKCFRP CC[C@H]1C[N@@H+]2CC[C@H]3c4ccc(O)c([C@@H]5CCC[NH+]5C)c4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000049881855 562691168 /nfs/dbraw/zinc/69/11/68/562691168.db2.gz MHIOYLXTHAIJLU-LPPTYEIRSA-N 2 0 553.795 6.258 1 10 KKCFRP CC[C@H]1C[N@@H+]2CC[C@@H]3c4ccc(O)c([C@@H]5CCC[NH+]5C)c4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000058549834 562699180 /nfs/dbraw/zinc/69/91/80/562699180.db2.gz MHIOYLXTHAIJLU-MQFWUQEKSA-N 2 0 553.795 6.258 1 10 KKCFRP CC(=O)c1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000089723064 562753628 /nfs/dbraw/zinc/75/36/28/562753628.db2.gz MAPRDIJLMRLVKJ-UHFFFAOYSA-N 3 0 592.744 6.183 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095540495 562755757 /nfs/dbraw/zinc/75/57/57/562755757.db2.gz LYRXTUKNCWBKDW-AREMUKBSSA-N 2 0 842.825 8.576 1 10 KKCFRP CCC[NH+](CCC)Cc1cc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Nc3cc[nH+]c(C)c3)cc2)ccc1O ZINC000095586473 562773961 /nfs/dbraw/zinc/77/39/61/562773961.db2.gz KDDHZJQJERZXEN-PUDHBBIYSA-N 3 0 609.815 5.953 1 10 KKCFRP c1ccc(N2CCN(c3ccc(C[NH2+]C[C@@H]4CCC[C@@H](C[NH2+]Cc5ccc(N6CCN(c7ccccc7)CC6)cc5)C4)cc3)CC2)cc1 ZINC000095592083 562775823 /nfs/dbraw/zinc/77/58/23/562775823.db2.gz SKNKBOSQZDTCLC-XPSQVAKYSA-N 2 0 642.936 7.026 1 10 KKCFRP CN1CCN(C(=O)CCCCC(=O)Nc2ccc(Nc3c4ccc(NC(=O)CC[NH+]5CCCC5)cc4[nH+]c4cc(NC(=O)CC[NH+]5CCCC5)ccc43)cc2)CC1 ZINC000095606550 562782161 /nfs/dbraw/zinc/78/21/61/562782161.db2.gz KMACCIHWEXFGFT-UHFFFAOYSA-N 2 0 775.999 6.253 1 10 KKCFRP O=C(CCCCC(=O)N1CCOCC1)Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000095606516 562782170 /nfs/dbraw/zinc/78/21/70/562782170.db2.gz GKQXOIJRHCRZDH-UHFFFAOYSA-N 3 0 762.956 6.338 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000095613027 562786000 /nfs/dbraw/zinc/78/60/00/562786000.db2.gz ZIMFZPMPXWYKIU-UHFFFAOYSA-N 3 0 794.780 10.246 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C[NH3+])NC(=O)OC(C)(C)C)c2c1 ZINC000095613770 562786490 /nfs/dbraw/zinc/78/64/90/562786490.db2.gz DBGAQSBKOFZEAC-QNGWXLTQSA-N 3 0 800.788 8.398 1 10 KKCFRP CC(=O)Nc1cccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)c1 ZINC000100921184 562808527 /nfs/dbraw/zinc/80/85/27/562808527.db2.gz MWDOKHARRXHUSQ-UHFFFAOYSA-N 3 0 607.759 5.939 1 10 KKCFRP CCCC[NH+](CCCC)CCNc1ccc(NCC[NH+](CCCC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000111469330 562825463 /nfs/dbraw/zinc/82/54/63/562825463.db2.gz PUXSYVXLQAYRIW-UHFFFAOYSA-N 2 0 580.814 6.501 1 10 KKCFRP COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)[NH2+][C@H](C)C4)c(C)c(-c3c(C)c(-c4ccc5c(c4O)[C@@H](C)[NH2+][C@H](C)C5)c4cccc(OC)c4c3O)c(O)c12 ZINC000205116317 562874965 /nfs/dbraw/zinc/87/49/65/562874965.db2.gz RDYUUUNZMHSHKP-SAZLYLDSSA-N 2 0 724.898 9.641 1 10 KKCFRP COc1ccc2c(c1)[nH+]c1cc(Cl)ccc1c2NCCCCCCCCNc1c2ccc(Cl)cc2[nH+]c2cc(OC)ccc21 ZINC000005370752 561695673 /nfs/dbraw/zinc/69/56/73/561695673.db2.gz GMFGCBJSZMHJTR-UHFFFAOYSA-N 2 0 627.616 10.278 1 10 KKCFRP Cc1ccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(C)c(C)ccc34)c3ccccc3[nH+]c2c1C ZINC000005432472 561695901 /nfs/dbraw/zinc/69/59/01/561695901.db2.gz KEVQDFLELGROHH-UHFFFAOYSA-N 2 0 554.782 10.188 1 10 KKCFRP COc1ccc2c(c1)[nH+]c1c(OC)cccc1c2NCCCCCCCCNc1c2ccc(OC)cc2[nH+]c2c(OC)cccc12 ZINC000005439272 561695904 /nfs/dbraw/zinc/69/59/04/561695904.db2.gz ZJROZYNOKFRVAP-UHFFFAOYSA-N 2 0 618.778 8.988 1 10 KKCFRP COc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNc1c2ccccc2[nH+]c2cc(OC)ccc21 ZINC000005437295 561695967 /nfs/dbraw/zinc/69/59/67/561695967.db2.gz FLTPBXAPYZIIEV-UHFFFAOYSA-N 2 0 530.672 8.191 1 10 KKCFRP C[C@H](NC(=O)c1ccccc1)C(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000026495429 561794177 /nfs/dbraw/zinc/79/41/77/561794177.db2.gz DPCLHCBIRDCSNZ-MHZLTWQESA-N 2 0 569.790 6.800 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](C)[NH3+])c2c1 ZINC000026577617 561801844 /nfs/dbraw/zinc/80/18/44/561801844.db2.gz MLESNOKAVISIPE-JOCHJYFZSA-N 3 0 685.656 7.893 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NC1CCCCC1 ZINC000027518782 561862632 /nfs/dbraw/zinc/86/26/32/561862632.db2.gz UGUCYDZIEHMKSK-UHFFFAOYSA-N 3 0 556.755 5.981 1 10 KKCFRP Nc1cccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)c1 ZINC000027519076 561862908 /nfs/dbraw/zinc/86/29/08/561862908.db2.gz LGQRWLQSCUSJDT-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP CCOC(=O)Nc1cc(COC(=O)CCCC(=O)Nc2cc(C(=O)NCC[NH+](C)C)n(C)c2)cc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000027519840 561863288 /nfs/dbraw/zinc/86/32/88/561863288.db2.gz RKOGPJXKLZYXNA-UHFFFAOYSA-N 2 0 693.805 6.182 1 10 KKCFRP O=C(c1cccc2c(NCCC[NH2+]CCCNc3c4ccccc4[nH+]c4c(C(=O)N5CCOCC5)cccc34)c3ccccc3[nH+]c12)N1CCOCC1 ZINC000027651856 561876629 /nfs/dbraw/zinc/87/66/29/561876629.db2.gz VKUZSBGMHPHEMG-UHFFFAOYSA-N 3 0 711.867 5.928 1 10 KKCFRP O=C(c1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(C(=O)N5CCOCC5)cccc34)c3ccccc3[nH+]c12)N1CCOCC1 ZINC000027651860 561876715 /nfs/dbraw/zinc/87/67/15/561876715.db2.gz KKTDNUMYCNEUDR-UHFFFAOYSA-N 2 0 724.906 7.899 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCCCCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)c3ccccc3[nH+]c12 ZINC000027653455 561877015 /nfs/dbraw/zinc/87/70/15/561877015.db2.gz ATHNVLFOCKEETH-UHFFFAOYSA-N 4 0 698.916 6.757 1 10 in-vitro KKCFRP O=C(CCCC(=O)NCCCCNc1c2ccccc2[nH+]c2ccccc21)NCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027768667 561884874 /nfs/dbraw/zinc/88/48/74/561884874.db2.gz KURLEPJCNVHMBC-UHFFFAOYSA-N 2 0 626.805 7.577 1 10 KKCFRP CN(C)c1ccc(Nc2c3ccc(NC(=O)CCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCC[NH+]4CCCC4)ccc32)cc1 ZINC000028567775 561936891 /nfs/dbraw/zinc/93/68/91/561936891.db2.gz XWLUQMHOSNAPOE-UHFFFAOYSA-N 3 0 621.830 6.827 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccsc3)c2c1 ZINC000028642708 561943679 /nfs/dbraw/zinc/94/36/79/561943679.db2.gz RWHIWLZBPNYVNS-UHFFFAOYSA-N 3 0 710.731 10.281 1 10 KKCFRP Cn1nc(C(=O)NCCCCNc2c3ccccc3[nH+]c3ccccc32)cc1C(=O)NCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029336879 562014400 /nfs/dbraw/zinc/01/44/00/562014400.db2.gz JKSZDTPKKYGIKH-UHFFFAOYSA-N 2 0 664.814 7.067 1 10 KKCFRP O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCC[NH2+]CCC[NH2+]CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000049778278 562681115 /nfs/dbraw/zinc/68/11/15/562681115.db2.gz LNUSUIGEDBJTHT-UHFFFAOYSA-N 2 0 648.763 5.789 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCC[NH+](C)C)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049780333 562681609 /nfs/dbraw/zinc/68/16/09/562681609.db2.gz GMSIIPQALCIBFL-UHFFFAOYSA-N 2 0 624.124 7.578 1 10 KKCFRP CCC[NH+](CCC)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CC[NH+](CCC)CCC)cccc1C2=O ZINC000073293443 562737576 /nfs/dbraw/zinc/73/75/76/562737576.db2.gz SZTWNKBUMUGKNY-UHFFFAOYSA-N 2 0 548.728 5.363 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CC[NH+]3CCCCC3)c2c1 ZINC000095544698 562757803 /nfs/dbraw/zinc/75/78/03/562757803.db2.gz XKKOTZAWXHBAFL-UHFFFAOYSA-N 3 0 753.775 9.422 1 10 KKCFRP CC[NH+](CC)Cc1cc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CCCC3)cc2)ccc1O ZINC000095586479 562773938 /nfs/dbraw/zinc/77/39/38/562773938.db2.gz RQWIVOOZZDCFBD-XDFJSJKPSA-N 2 0 544.740 5.212 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CNC(=O)[C@H](C)[NH3+])c2c1 ZINC000095607825 562783124 /nfs/dbraw/zinc/78/31/24/562783124.db2.gz GGRXKJWETRCTQE-DEOSSOPVSA-N 3 0 756.735 7.400 1 10 KKCFRP O=S(=O)(CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095678428 562788321 /nfs/dbraw/zinc/78/83/21/562788321.db2.gz YTYVUEZYXPHWKP-UHFFFAOYSA-N 2 0 738.895 9.150 1 10 KKCFRP CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)c(OCCCCOc2cc(NS(C)(=O)=O)ccc2Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095754017 562788871 /nfs/dbraw/zinc/78/88/71/562788871.db2.gz ADWGRQPIYNKDMR-UHFFFAOYSA-N 2 0 812.974 9.558 1 10 KKCFRP O=S(=O)(CCCCCCNc1cc[nH+]c2ccccc12)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095785565 562789098 /nfs/dbraw/zinc/78/90/98/562789098.db2.gz RLMGEJGAGBUZKI-UHFFFAOYSA-N 2 0 575.738 8.094 1 10 KKCFRP COc1cc(NS(=O)(=O)CCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4[nH+]c4ccccc43)c(OC)c2)ccc1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000095831709 562789272 /nfs/dbraw/zinc/78/92/72/562789272.db2.gz SJIPVTVPMMWEEW-UHFFFAOYSA-N 2 0 812.974 9.558 1 10 KKCFRP CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N[C@@H](C)CCC[NH+](CC)CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000111469339 562825465 /nfs/dbraw/zinc/82/54/65/562825465.db2.gz FGORVXXLEPUCDR-SZPZYZBQSA-N 2 0 552.760 5.718 1 10 KKCFRP CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N[C@H](C)CCC[NH+](CC)CC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000111469347 562825470 /nfs/dbraw/zinc/82/54/70/562825470.db2.gz FGORVXXLEPUCDR-FGZHOGPDSA-N 2 0 552.760 5.718 1 10 KKCFRP CC[C@]12C=C[C@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CC[N@H+]6CC[C@]43[C@@H]65)[NH+]3CC[C@@]4(c5ccc(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000150596048 562846661 /nfs/dbraw/zinc/84/66/61/562846661.db2.gz PXSZDFVNDBJNJT-MBRIJRMKSA-N 2 0 702.852 5.908 1 10 KKCFRP Brc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCNc1c2ccccc2[nH+]c2cc(Br)ccc21 ZINC000150644783 562848973 /nfs/dbraw/zinc/84/89/73/562848973.db2.gz GVBHXHXCNBSVMF-UHFFFAOYSA-N 2 0 656.466 10.479 1 10 KKCFRP CCCC[C@H](C[NH2+]CC)COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1cc[nH+]c(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592643 565148469 /nfs/dbraw/zinc/14/84/69/565148469.db2.gz RWNALMGDSUIKJM-QMPIGUFHSA-N 2 0 619.803 5.040 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@@H]2c3cc(O)c(O)c(O[C@@H]4CC[NH2+]CC45CCCC5)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625342 565158326 /nfs/dbraw/zinc/15/83/26/565158326.db2.gz ZABTWRKXUACHQZ-VLCKYGRASA-N 2 0 658.836 5.631 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(O[C@@H]4CC[NH2+][C@H](Cc5ccccc5)C4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625372 565159121 /nfs/dbraw/zinc/15/91/21/565159121.db2.gz HECNASVVTOCPPC-QSLTWHKWSA-N 2 0 694.869 6.072 1 10 biogenic,in-vitro KKCFRP CC[NH2+][C@@H]1C=C[C@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=[NH2+])NC)c3ccnc(N)c3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592628 291941708 /nfs/dbraw/zinc/94/17/08/291941708.db2.gz MTLJJNXAQKQNPA-MYLHKNPGSA-N 2 0 682.866 5.056 1 10 biogenic,in-vitro KKCFRP Nc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCNc1c2ccccc2[nH+]c2cc(N)ccc21 ZINC000005370755 561695679 /nfs/dbraw/zinc/69/56/79/561695679.db2.gz HTAPDGZAZODZAL-UHFFFAOYSA-N 2 0 500.650 7.338 1 10 KKCFRP COc1ccc2c(c1)[nH+]c1ccc(Cl)cc1c2NCCCCCCCCNc1c2ccc(OC)cc2[nH+]c2ccc(Cl)cc21 ZINC000005439956 561695892 /nfs/dbraw/zinc/69/58/92/561695892.db2.gz UGXUTRRRMCSNJZ-UHFFFAOYSA-N 2 0 627.616 10.278 1 10 KKCFRP Cc1cccc2c1cc(C(=O)NCc1ccc([N+](C)(C)Cc3ccccc3)cc1)n2Cc1cccc(C(N)=[NH2+])c1 ZINC000013474311 561714403 /nfs/dbraw/zinc/71/44/03/561714403.db2.gz AREGJMORGJFWDY-UHFFFAOYSA-O 2 0 530.696 5.979 1 10 KKCFRP CCc1c2cc3nc(c(-c4cc[n+](C)cc4)c4[nH]c(cc5[nH]c(c(-c6cc[n+](C)cc6)c(n2)c1C)c(C)c5CC)c(CC)c4C)c(C)c3CC ZINC000026575657 561799379 /nfs/dbraw/zinc/79/93/79/561799379.db2.gz SXDCLCFEBCKEBK-UHFFFAOYSA-O 2 0 662.926 9.336 1 10 KKCFRP O=C(CCCC(=O)NCCCNc1c2ccccc2[nH+]c2ccccc21)NCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027847921 561885652 /nfs/dbraw/zinc/88/56/52/561885652.db2.gz FCLPUOKUZXAGFR-UHFFFAOYSA-N 2 0 598.751 6.796 1 10 KKCFRP O=C(CCCC(=O)NCCCCCCNc1c2ccccc2[nH+]c2ccccc21)NCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027856876 561886674 /nfs/dbraw/zinc/88/66/74/561886674.db2.gz XSGVJIDHKKPEFP-UHFFFAOYSA-N 2 0 682.913 9.137 1 10 KKCFRP CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCCC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CCCCC[NH+]4CCCC4)ccc32)cc1 ZINC000028568222 561937219 /nfs/dbraw/zinc/93/72/19/561937219.db2.gz UVWHCKREVBVRRG-UHFFFAOYSA-N 3 0 677.938 8.387 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccccc4[nH+]c4ccccc43)c2c1 ZINC000029251955 562011367 /nfs/dbraw/zinc/01/13/67/562011367.db2.gz BEIAZVORPPUAPE-UHFFFAOYSA-N 2 0 535.091 8.836 1 10 KKCFRP c1ccc(OCCCCCCCNc2cc[nH+]c3ccccc23)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000032130661 562037011 /nfs/dbraw/zinc/03/70/11/562037011.db2.gz WKZCKINWIPKVTM-UHFFFAOYSA-N 2 0 526.684 9.121 1 10 KKCFRP CC(C)(C)[NH2+]Cc1c(O)cc(-c2ccc(Cl)cc2)c(C[NH2+]C(C)(C)C)c1Nc1cc[n+]([O-])c2cc(Cl)ccc12 ZINC000044053360 562652017 /nfs/dbraw/zinc/65/20/17/562652017.db2.gz XJIKXJSSZNPQOY-UHFFFAOYSA-N 2 0 567.561 7.672 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH+]3CCN(CCCN4c5ccccc5Sc5ccccc54)CC3)c2c1 ZINC000044053490 562652026 /nfs/dbraw/zinc/65/20/26/562652026.db2.gz QPYFIWBWSGKKGL-UHFFFAOYSA-N 2 0 638.281 8.553 1 10 KKCFRP COc1ccc(C[N@H+](CCCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)cc1 ZINC000095540176 562755563 /nfs/dbraw/zinc/75/55/63/562755563.db2.gz CCHDTDXFWSNEIW-UHFFFAOYSA-N 3 0 748.755 10.619 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3cccc(OC)c3OC)c2c1 ZINC000095540512 562755780 /nfs/dbraw/zinc/75/57/80/562755780.db2.gz LBQRGTDYAGUBPY-UHFFFAOYSA-N 3 0 764.754 10.237 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000095574884 562770162 /nfs/dbraw/zinc/77/01/62/562770162.db2.gz NMKIHZILXGGHHL-UHFFFAOYSA-N 4 0 685.700 8.677 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)c2c1 ZINC000095611001 562784716 /nfs/dbraw/zinc/78/47/16/562784716.db2.gz KZEFNMKNSRDNFB-RRHRGVEJSA-N 2 0 827.854 10.486 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c2c1 ZINC000095610998 562784743 /nfs/dbraw/zinc/78/47/43/562784743.db2.gz FXLTVQXEEAMFPN-KDXMTYKHSA-N 2 0 813.827 10.096 1 10 KKCFRP CCOC(=O)Nc1cc(COC(=O)CCCC(=O)Nc2cc(-c3cc(C(=O)NCC[NH+](C)C)n(C)c3)n(C)c2)cc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095611467 562785071 /nfs/dbraw/zinc/78/50/71/562785071.db2.gz OWZTWDOTEKUJBY-UHFFFAOYSA-N 2 0 772.907 7.188 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095613261 562786172 /nfs/dbraw/zinc/78/61/72/562786172.db2.gz PMCOXUHLGWSJFH-RUZDIDTESA-N 2 0 785.773 9.459 1 10 KKCFRP O=S(=O)(CCCCNc1cc[nH+]c2ccccc12)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095831692 562789295 /nfs/dbraw/zinc/78/92/95/562789295.db2.gz ICZMIGURBAADAK-UHFFFAOYSA-N 2 0 547.684 7.314 1 10 KKCFRP O=S(=O)(CCCCNc1c2ccccc2[nH+]c2ccccc21)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000095831691 562789317 /nfs/dbraw/zinc/78/93/17/562789317.db2.gz BETNNGBFBCSSOR-UHFFFAOYSA-N 2 0 597.744 8.467 1 10 KKCFRP C[n+]1ccc(-c2c3ccc(n3)c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc2[nH]3)cc1 ZINC000096924221 562802284 /nfs/dbraw/zinc/80/22/84/562802284.db2.gz WQCWXMUXBMYORG-UHFFFAOYSA-O 3 0 752.771 8.707 1 10 KKCFRP CC[C@H]1C[N@@H+]2CC[C@H]3c4ccc(O)c([C@@H]5CCC[NH+]5C)c4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000169291243 562851898 /nfs/dbraw/zinc/85/18/98/562851898.db2.gz MHIOYLXTHAIJLU-FDXOGDAKSA-N 2 0 553.795 6.258 1 10 KKCFRP CC[C@]12C=CC[NH+]3CC[C@@]4(c5cc([C@@H]6[C@@H]7O[C@@H]7[C@@]7(CC)CC(C(=O)OC)=C8Nc9cc(O)ccc9[C@@]89CC[N@@H+]6[C@H]97)c(O)cc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000169310400 562854781 /nfs/dbraw/zinc/85/47/81/562854781.db2.gz LYIGHNVZRJJMOV-YGVQMNHXSA-N 2 0 718.851 5.120 1 10 KKCFRP Cn1ccc2c3ccccc3nc-2c1C1=C[C@@]2(O)CC/C=C\CCCC[N@@H+]3CC[C@H]1[C@]1(C[C@@H]4C=CCCCC[NH+]4[C@H]12)C3 ZINC000377820938 562896183 /nfs/dbraw/zinc/89/61/83/562896183.db2.gz XSWRGRVWQZJKQT-XTQDWNIJSA-N 2 0 562.802 6.818 1 10 KKCFRP Oc1cc(CCCc2ccc(CCCc3ccc(C[NH+]4CCCCC4)c(O)c3)cc2)ccc1C[NH+]1CCCCC1 ZINC000474609369 562905602 /nfs/dbraw/zinc/90/56/02/562905602.db2.gz QIASPZYJSUPPSV-UHFFFAOYSA-N 2 0 540.792 7.420 1 10 KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)c2)ccc1O ZINC000085625437 565159160 /nfs/dbraw/zinc/15/91/60/565159160.db2.gz ZDGULSIYSGGBMD-ZHADSICRSA-N 2 0 668.831 5.900 1 10 biogenic,in-vitro KKCFRP C[NH2+]Cc1cc(CCC(=O)CC(=O)C2=C(CNC3=[NH+]CC=C3)Cc3[nH]ccc3[C@@H]2CCCCc2cccc(O)c2)cc(OC2CCCC2)c1O ZINC000085626910 565160155 /nfs/dbraw/zinc/16/01/55/565160155.db2.gz AVYFOGGUKAGINC-HQLCXMBOSA-N 2 0 676.858 7.149 1 10 biogenic,in-vitro KKCFRP Nc1ccc2[nH+]c3ccccc3c(NCCCCCCCCNc3c4ccccc4[nH+]c4ccc(N)cc43)c2c1 ZINC000005389555 561695780 /nfs/dbraw/zinc/69/57/80/561695780.db2.gz CYZZEAILYKQOFE-UHFFFAOYSA-N 2 0 528.704 8.118 1 10 KKCFRP CCc1cccc2c(NCCCCCCCCCCNc3c4ccccc4[nH+]c4c(CC)cccc34)c3ccccc3[nH+]c12 ZINC000005409512 561695835 /nfs/dbraw/zinc/69/58/35/561695835.db2.gz GLLXNUIWWQMAIQ-UHFFFAOYSA-N 2 0 582.836 10.859 1 10 KKCFRP COc1ccc2[nH+]c3ccccc3c(NCCCCCCCCNc3c4ccccc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000005437498 561695873 /nfs/dbraw/zinc/69/58/73/561695873.db2.gz FGCBBNZIPRXCQK-UHFFFAOYSA-N 2 0 558.726 8.971 1 10 KKCFRP C[N+](C)(C)c1ccc(CNC(=O)c2cc3c(cccc3OCc3ccccc3)n2Cc2cccc(C(N)=[NH2+])c2)cc1 ZINC000026662294 561810434 /nfs/dbraw/zinc/81/04/34/561810434.db2.gz JKKXHZQCBNFCEE-UHFFFAOYSA-O 2 0 546.695 5.679 1 10 KKCFRP Nc1ccccc1Nc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2[nH+]c2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000027518185 561861946 /nfs/dbraw/zinc/86/19/46/561861946.db2.gz NHRMPDKSXMUOQJ-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP O=C(CCC[NH+]1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCC4)ccc32)cc1 ZINC000028567126 561936587 /nfs/dbraw/zinc/93/65/87/561936587.db2.gz JCLRHYGEABKRFA-UHFFFAOYSA-N 4 0 704.920 6.795 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccccn3)c2c1 ZINC000028639351 561942551 /nfs/dbraw/zinc/94/25/51/561942551.db2.gz CLOODNZLTSOINB-UHFFFAOYSA-N 3 0 705.690 9.615 1 10 KKCFRP CCC[NH+](CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000028640542 561942856 /nfs/dbraw/zinc/94/28/56/561942856.db2.gz JRSYPYPFGPTVFP-UHFFFAOYSA-N 3 0 656.658 9.430 1 10 KKCFRP CC[NH+](CC)CCCCCCCNc1ccc2c3c(nn2CC[NH+](CC)CC)-c2ccccc2C(=O)c31 ZINC000028759704 561957625 /nfs/dbraw/zinc/95/76/25/561957625.db2.gz IBXCJEGZHYXRIL-UHFFFAOYSA-N 2 0 503.735 6.294 1 10 KKCFRP COc1cccc2c(-c3cc(C[NH2+]CCCCCCNS(=O)(=O)c4cccc5c4cccc5N(C)C)c4c(c3O)[C@@H](C)[NH2+][C@H](C)C4)c(C)cc(OC)c12 ZINC000028862009 561971834 /nfs/dbraw/zinc/97/18/34/561971834.db2.gz SJNGVZUPVUYETL-FQLXRVMXSA-N 2 0 738.995 7.981 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000029056957 561995219 /nfs/dbraw/zinc/99/52/19/561995219.db2.gz GHXGVLHXCMUCBM-UHFFFAOYSA-N 4 0 671.673 8.287 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029328665 562013582 /nfs/dbraw/zinc/01/35/82/562013582.db2.gz AAHCMCBWJGNLAY-UHFFFAOYSA-N 2 0 512.701 9.344 1 10 KKCFRP CC(C)(C)[NH2+]Cc1c(O)cc(Nc2ccnc3cc(Cl)ccc32)c(C[NH2+]C(C)(C)C)c1-c1ccc(C(F)(F)F)cc1 ZINC000043552509 562649607 /nfs/dbraw/zinc/64/96/07/562649607.db2.gz XEFQAYVEJPBWOO-UHFFFAOYSA-N 2 0 585.114 8.799 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000044053493 562652014 /nfs/dbraw/zinc/65/20/14/562652014.db2.gz ZIQWDOJJNJTKMF-UHFFFAOYSA-N 2 0 559.783 7.501 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000044053433 562652035 /nfs/dbraw/zinc/65/20/35/562652035.db2.gz QTVVESVDWWBSFB-UHFFFAOYSA-N 2 0 545.756 7.111 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH+]3CCN(CCCN4c5ccccc5CCc5ccccc54)CC3)c2c1 ZINC000044069758 562652135 /nfs/dbraw/zinc/65/21/35/562652135.db2.gz ISCNHBRWKDKWFW-UHFFFAOYSA-N 2 0 606.214 7.407 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(N[C@H](c3ccc(Cl)cc3)c3ccc(C[NH+]4CCCC4)cc3)c2c1 ZINC000049881840 562691204 /nfs/dbraw/zinc/69/12/04/562691204.db2.gz FLUJZEBIESJURW-HKBQPEDESA-N 2 0 542.510 8.501 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Oc4ccc(Nc5c6ccc(Cl)cc6[nH+]c6ccc(OC)cc65)cc4)cc3)c2c1 ZINC000049918076 562694363 /nfs/dbraw/zinc/69/43/63/562694363.db2.gz ABLUHHXWUKLWJZ-UHFFFAOYSA-N 2 0 683.595 11.693 1 10 KKCFRP CN(C)c1cccc2cc(S(=O)(=O)NCCCCCCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)ccc21 ZINC000064559062 562708288 /nfs/dbraw/zinc/70/82/88/562708288.db2.gz BBQWQWHGOZDRSK-UHFFFAOYSA-N 2 0 640.854 5.849 1 10 KKCFRP CC[NH+](CC)Cc1cc(Nc2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+]C3CCCC3)c2)ccc1O ZINC000095591478 562775644 /nfs/dbraw/zinc/77/56/44/562775644.db2.gz WHCWEHIDPOSHMN-XDFJSJKPSA-N 2 0 544.740 5.212 1 10 KKCFRP COc1cccc(C[N@H+](CCCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)CCCNc2c3ccc(Cl)cc3[nH+]c3ccc(OC)cc32)c1 ZINC000095606468 562782117 /nfs/dbraw/zinc/78/21/17/562782117.db2.gz YUVWHWFHAJXVBY-UHFFFAOYSA-N 3 0 748.755 10.619 1 10 KKCFRP c1ccc(OCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859253 562789662 /nfs/dbraw/zinc/78/96/62/562789662.db2.gz OVIRICDQMHZCKT-UHFFFAOYSA-N 2 0 612.733 10.425 1 10 KKCFRP Oc1c2cc(I)cc1CN1C=CC(=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377829948 562896227 /nfs/dbraw/zinc/89/62/27/562896227.db2.gz PGYXZIOIFHFWNL-UHFFFAOYSA-N 2 0 634.521 7.357 1 10 KKCFRP COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(c4O)OCc4ccc(cc4)C[C@H]3[NH+](C)CC2)CC[N@@H+]1C ZINC000070454739 565120151 /nfs/dbraw/zinc/12/01/51/565120151.db2.gz BPJPWJSSKSLGNM-LOYHVIPDSA-N 2 0 622.762 6.646 1 10 biogenic,in-vitro KKCFRP CCCC[C@H](C[NH2+]CC1CCCCC1)COC(=O)[C@]12O[C@@]1(CC=C(C)C[C@@H](NC(=[NH2+])NC)c1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592655 565148509 /nfs/dbraw/zinc/14/85/09/565148509.db2.gz WVRITCIMUFWSGY-FEXHBWQHSA-N 2 0 672.871 5.282 1 10 biogenic,in-vitro KKCFRP CN1c2ccccc2S/C1=C\c1cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]2ccc(/C=C3\Sc4ccccc4N3C)c3ccccc32)c2ccccc12 ZINC000087520179 717137456 /nfs/dbraw/zinc/13/74/56/717137456.db2.gz RUIOCPBCVXVVMB-UHFFFAOYSA-N 4 0 795.179 9.672 1 10 in-vitro KKCFRP CCc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(CC)cccc34)c3ccccc3[nH+]c12 ZINC000005368642 561695626 /nfs/dbraw/zinc/69/56/26/561695626.db2.gz RHTXEWNIWUPTLH-UHFFFAOYSA-N 2 0 554.782 10.079 1 10 KKCFRP CCCCOc1cccc2c(NCCCCCCNc3c4ccccc4[nH+]c4c(OCCCC)cccc34)c3ccccc3[nH+]c12 ZINC000005409514 561695728 /nfs/dbraw/zinc/69/57/28/561695728.db2.gz NZXVALHCRPCTQU-UHFFFAOYSA-N 2 0 614.834 10.532 1 10 KKCFRP COc1ccc(C)c2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(OC)ccc(C)c34)c3ccccc3[nH+]c12 ZINC000005395618 561695784 /nfs/dbraw/zinc/69/57/84/561695784.db2.gz ITNKMLIDXKLFHQ-UHFFFAOYSA-N 2 0 586.780 9.588 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000005373012 561695839 /nfs/dbraw/zinc/69/58/39/561695839.db2.gz PJKQWFZYJDFYFP-UHFFFAOYSA-N 2 0 627.616 10.278 1 10 KKCFRP COc1ccc2c(c1)c1c(ccc3cc[n+](CC[NH+]4CCC(C5CC[NH+](CCNc6c7ccc(Cl)cc7[nH+]c7ccc(OC)cc76)CC5)CC4)cc13)n2C ZINC000025976629 561763540 /nfs/dbraw/zinc/76/35/40/561763540.db2.gz GLMFHPXAPRIHIF-UHFFFAOYSA-N 4 0 742.388 8.680 1 10 KKCFRP Oc1c(C[NH+]2CCCCCC2)ccc2c1CC[N@H+](CCCC(c1ccc(F)cc1)c1ccc(F)cc1)C2 ZINC000026493059 561793767 /nfs/dbraw/zinc/79/37/67/561793767.db2.gz OGCRITYNYRWHGG-UHFFFAOYSA-N 2 0 504.665 7.017 1 10 KKCFRP O=C(NCC(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000026497274 561794547 /nfs/dbraw/zinc/79/45/47/561794547.db2.gz YACSDTJCAFRQSE-UHFFFAOYSA-N 2 0 645.888 7.930 1 10 KKCFRP CCc1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc(n2)c(CC)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1[nH]2 ZINC000026570952 561798035 /nfs/dbraw/zinc/79/80/35/561798035.db2.gz FJTHENWADCKQGH-UHFFFAOYSA-O 2 0 550.710 6.978 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000026579241 561804292 /nfs/dbraw/zinc/80/42/92/561804292.db2.gz AWCCOINKBVLOIO-UHFFFAOYSA-N 2 0 655.670 11.058 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)CC[NH+]3CCCC3)c2c1 ZINC000026579948 561805347 /nfs/dbraw/zinc/80/53/47/561805347.db2.gz AXGHORNACDBNJQ-UHFFFAOYSA-N 3 0 739.748 9.032 1 10 KKCFRP Nc1cccc(Nc2c3ccc(NC(=O)CC[NH+]4CCCC4)cc3[nH+]c3ccc(NC(=O)CC[NH+]4CCCC4)cc32)c1 ZINC000027518280 561862203 /nfs/dbraw/zinc/86/22/03/561862203.db2.gz IHNXUOPRGAZXTO-UHFFFAOYSA-N 3 0 565.722 5.563 1 10 KKCFRP O=C(CCCC(=O)NCCCCCNc1c2ccccc2[nH+]c2ccccc21)NCCCCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000027766313 561884640 /nfs/dbraw/zinc/88/46/40/561884640.db2.gz NHUXZMYRHJMTSD-UHFFFAOYSA-N 2 0 654.859 8.357 1 10 KKCFRP CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000028604454 561940664 /nfs/dbraw/zinc/94/06/64/561940664.db2.gz IEHQTICWOKKGOQ-UHFFFAOYSA-N 2 0 534.833 6.716 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)CC3CC3)c2c1 ZINC000028640548 561942848 /nfs/dbraw/zinc/94/28/48/561942848.db2.gz NGZWXDCMMSEYRD-UHFFFAOYSA-N 3 0 668.669 9.430 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)CCc3ccccc3)c2c1 ZINC000028640785 561942935 /nfs/dbraw/zinc/94/29/35/561942935.db2.gz FBTZNLNWUXVVSS-UHFFFAOYSA-N 3 0 718.729 10.262 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028878752 561976039 /nfs/dbraw/zinc/97/60/39/561976039.db2.gz QVFJDOKSLHDBFS-UHFFFAOYSA-N 3 0 700.728 7.887 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+]3CCN(CCCNc4c5ccccc5[nH+]c5ccccc54)CC3)c2c1 ZINC000029315744 562012448 /nfs/dbraw/zinc/01/24/48/562012448.db2.gz BYVWLIKSBXJUJD-UHFFFAOYSA-N 3 0 619.213 7.673 1 10 KKCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCCNCC[NH2+]CCCNc1c2ccccc2[nH+]c2ccccc21 ZINC000029340073 562015016 /nfs/dbraw/zinc/01/50/16/562015016.db2.gz NKSIHZCZFPKYIW-UHFFFAOYSA-N 3 0 528.704 6.573 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCC[NH+]3CCN(CCCN(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000043532552 562649410 /nfs/dbraw/zinc/64/94/10/562649410.db2.gz CIFYYXURURDIRA-UHFFFAOYSA-N 2 0 608.230 8.088 1 10 KKCFRP O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CC[NH2+]CCC[NH2+]CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 ZINC000044032091 562651753 /nfs/dbraw/zinc/65/17/53/562651753.db2.gz YXAFYQMDPYIMIP-UHFFFAOYSA-N 2 0 620.709 5.009 1 10 KKCFRP CC(C)(C)[NH2+]Cc1c(O)cc(Nc2ccnc3cc(Cl)ccc32)c(C[NH2+]C(C)(C)C)c1-c1ccc(Cl)cc1 ZINC000044265381 562652806 /nfs/dbraw/zinc/65/28/06/562652806.db2.gz JUUFKFAPSBOAHD-UHFFFAOYSA-N 2 0 551.562 8.434 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(Sc4ccc(Nc5c6ccc(Cl)cc6[nH+]c6ccc(OC)cc65)cc4)cc3)c2c1 ZINC000049722853 562672609 /nfs/dbraw/zinc/67/26/09/562672609.db2.gz MVJVLTYYCZCGGF-UHFFFAOYSA-N 2 0 699.663 12.052 1 10 KKCFRP Cc1ccc2ccc(C[NH2+]CCCCCCCCCCNc3c4ccccc4[nH+]c4c3CCCC4)c(O)c2n1 ZINC000053226585 562696542 /nfs/dbraw/zinc/69/65/42/562696542.db2.gz MRVWXRPDQGSSNS-UHFFFAOYSA-N 2 0 524.753 7.998 1 10 KKCFRP COc1ccc2[nH+]c3ccc(NCCCCCCNc4ccc5[nH+]c6ccc(OC)cc6c(N)c5c4)cc3c(N)c2c1 ZINC000058538101 562698781 /nfs/dbraw/zinc/69/87/81/562698781.db2.gz RAMPXLFTOOUTJR-UHFFFAOYSA-N 2 0 560.702 7.355 1 10 KKCFRP C[n+]1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc[n+](C)cc4)c4ccc(n4)c(-c4cc[n+](C)cc4)c4ccc2[nH]4)n3)cc1 ZINC000059969617 562702492 /nfs/dbraw/zinc/70/24/92/562702492.db2.gz TZBVJCVEWKEMOS-UHFFFAOYSA-O 3 0 586.723 6.345 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccc(Cl)cc3)c2c1 ZINC000095541396 562756085 /nfs/dbraw/zinc/75/60/85/562756085.db2.gz OEACJWGLRYZOCT-UHFFFAOYSA-N 3 0 739.147 10.873 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C[C@@H]3OC(C)(C)O[C@H]3[C@H]3COC(C)(C)O3)c2c1 ZINC000095542122 562756505 /nfs/dbraw/zinc/75/65/05/562756505.db2.gz KXHXDBKKINKVSR-ZBQYUAFOSA-N 3 0 828.838 9.691 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH+](CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)Cc3ccc(Br)o3)c2c1 ZINC000095542970 562756970 /nfs/dbraw/zinc/75/69/70/562756970.db2.gz SJGMTSWAPUKQDL-UHFFFAOYSA-N 3 0 773.559 10.575 1 10 KKCFRP CCC[NH+](CCC)Cc1cc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc2)ccc1O ZINC000095591805 562775775 /nfs/dbraw/zinc/77/57/75/562775775.db2.gz RJNMJOJNCLYOIW-AOJPLYQXSA-N 2 0 608.827 6.811 1 10 KKCFRP c1ccc(N2CCN(c3ccc(C[NH2+]C[C@H]4CCC[C@H](C[NH2+]Cc5ccc(N6CCN(c7ccccc7)CC6)cc5)C4)cc3)CC2)cc1 ZINC000095592082 562775795 /nfs/dbraw/zinc/77/57/95/562775795.db2.gz SKNKBOSQZDTCLC-UWXQCODUSA-N 2 0 642.936 7.026 1 10 KKCFRP c1ccc(OCCCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859572 562789697 /nfs/dbraw/zinc/78/96/97/562789697.db2.gz LKRHRFUBZZTCDA-UHFFFAOYSA-N 2 0 668.841 11.985 1 10 KKCFRP c1ccc(OCCCCCCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859619 562789728 /nfs/dbraw/zinc/78/97/28/562789728.db2.gz APZYYMVCWIPXDZ-UHFFFAOYSA-N 2 0 710.922 13.155 1 10 KKCFRP CC[NH2+][C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1cc[nH+]c(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592619 565148453 /nfs/dbraw/zinc/14/84/53/565148453.db2.gz IXNOSAQQAQLTSW-SPKFZPJQSA-N 2 0 643.825 5.204 1 10 biogenic,in-vitro KKCFRP CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1cc[nH+]c(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592620 565148517 /nfs/dbraw/zinc/14/85/17/565148517.db2.gz HSJNWMKPKKLGOD-SPKFZPJQSA-N 2 0 645.841 5.428 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)[C@@H]2CC[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OC4CC[NH2+]CC4)c23)ccc1O ZINC000085625338 565158286 /nfs/dbraw/zinc/15/82/86/565158286.db2.gz QSDFOLZSMBXDJI-CKRVWVQXSA-N 2 0 630.782 5.022 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](C4(c5ccccc5)CCCCC4)[C@@H]2c2cc(O)c(O)c(OC4CC[NH2+]CC4)c23)ccc1O ZINC000085625326 565158317 /nfs/dbraw/zinc/15/83/17/565158317.db2.gz DRWLXKBQQCAPKB-ZHRTZPMUSA-N 2 0 696.885 6.457 1 10 biogenic,in-vitro KKCFRP [NH3+]COc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(O[C@@H]4CC[NH2+]CC45CCCC5)c23)ccc1O ZINC000085625289 565158319 /nfs/dbraw/zinc/15/83/19/565158319.db2.gz VMUOZUXHMIPEML-BNWWEMNUSA-N 2 0 682.858 5.968 1 10 biogenic,in-vitro KKCFRP C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000082190372 717135499 /nfs/dbraw/zinc/13/54/99/717135499.db2.gz GNWRWPOFZCATNN-UHFFFAOYSA-P 2 0 652.752 5.655 1 10 KKCFRP CC[NH2+][C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1cc[nH+]c(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592602 291942037 /nfs/dbraw/zinc/94/20/37/291942037.db2.gz SDFYSYXFAQETSX-UBJNBFJTSA-N 2 0 669.863 5.595 1 10 biogenic,in-vitro KKCFRP COc1ccc2c(c1)[nH+]c1ccccc1c2NCCCCCCCCCCNc1c2ccccc2[nH+]c2cc(OC)ccc21 ZINC000005371394 561695662 /nfs/dbraw/zinc/69/56/62/561695662.db2.gz NNELFUQLHFJUHO-UHFFFAOYSA-N 2 0 586.780 9.751 1 10 KKCFRP COc1ccc2[nH+]c3ccccc3c(NCCCCCCNc3c4ccccc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000005437293 561695903 /nfs/dbraw/zinc/69/59/03/561695903.db2.gz JKNGDFBZTBGWNK-UHFFFAOYSA-N 2 0 530.672 8.191 1 10 KKCFRP CCOc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(OCC)cccc34)c3ccccc3[nH+]c12 ZINC000005437502 561695910 /nfs/dbraw/zinc/69/59/10/561695910.db2.gz XXKWDHCVPGIHMF-UHFFFAOYSA-N 2 0 586.780 9.751 1 10 KKCFRP CSc1cccc2c(NCCCCCCCCNc3c4ccccc4[nH+]c4c(SC)cccc34)c3ccccc3[nH+]c12 ZINC000005439266 561695915 /nfs/dbraw/zinc/69/59/15/561695915.db2.gz WYOJTIWWMMMDJN-UHFFFAOYSA-N 2 0 590.862 10.398 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH2+]CCCNC(=O)c3cc(-c4ccccc4)nc4ccccc43)c2c1 ZINC000006005558 561701388 /nfs/dbraw/zinc/70/13/88/561701388.db2.gz GEJSTEAMNUHCIV-UHFFFAOYSA-N 2 0 590.127 7.087 1 10 KKCFRP CC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)c(C[NH+]2CCCCCC2)c1)c1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000026497264 561794588 /nfs/dbraw/zinc/79/45/88/561794588.db2.gz UFNFPRCIIMCYDD-UHFFFAOYSA-N 2 0 646.916 8.872 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)c2c1 ZINC000026580226 561805613 /nfs/dbraw/zinc/80/56/13/561805613.db2.gz NEIJVOTWLLXQNI-UHFFFAOYSA-N 2 0 683.724 11.838 1 10 KKCFRP CC(C)(C)OC(=O)Nc1ccc2c(cc(C(=O)NCc3ccc([N+](C)(C)C)cc3)n2Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000026659124 561810006 /nfs/dbraw/zinc/81/00/06/561810006.db2.gz WKCBPADNSXPOLH-UHFFFAOYSA-O 2 0 555.703 5.447 1 10 KKCFRP CCC[NH+](CCC)CCC(=O)Nc1ccc(NC(=O)CC[NH+](CCC)CCC)c2c1C(=O)c1ccccc1C2=O ZINC000026958079 561829347 /nfs/dbraw/zinc/82/93/47/561829347.db2.gz OYHFROUCWXWTPG-UHFFFAOYSA-N 2 0 548.728 5.363 1 10 KKCFRP O=C(c1cccc2c(NCCCCCCNc3c4ccccc4[nH+]c4c(C(=O)N5CCOCC5)cccc34)c3ccccc3[nH+]c12)N1CCOCC1 ZINC000027647016 561875946 /nfs/dbraw/zinc/87/59/46/561875946.db2.gz PYVVBOKWPDXFJR-UHFFFAOYSA-N 2 0 696.852 7.119 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCCC[NH2+]CCCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)c3ccccc3[nH+]c12 ZINC000027648433 561876180 /nfs/dbraw/zinc/87/61/80/561876180.db2.gz UOWZBRGRUYVYOS-UHFFFAOYSA-N 5 0 727.958 5.956 1 10 KKCFRP C[NH+](C)CCNC(=O)c1cccc2c(NCCC[NH2+]CCCNc3c4ccccc4[nH+]c4c(C(=O)NCC[NH+](C)C)cccc34)c3ccccc3[nH+]c12 ZINC000027653806 561877012 /nfs/dbraw/zinc/87/70/12/561877012.db2.gz KTAWLBSNNIYGRF-UHFFFAOYSA-N 5 0 713.931 5.566 1 10 KKCFRP CC[NH+](CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21)CCCNc1c2ccc(Cl)cc2[nH+]c2ccc(OC)cc21 ZINC000028640545 561942892 /nfs/dbraw/zinc/94/28/92/561942892.db2.gz YJUDLZHUJCFVOG-UHFFFAOYSA-N 3 0 642.631 9.040 1 10 KKCFRP Cc1cccc(CNc2c3ccc(NC(=O)CC[NH+]4CCCCC4)cc3[nH+]c3cc(NC(=O)CC[NH+]4CCCCC4)ccc32)c1 ZINC000028878769 561976013 /nfs/dbraw/zinc/97/60/13/561976013.db2.gz PEDZNNNSLZTSSI-UHFFFAOYSA-N 3 0 606.815 6.938 1 10 KKCFRP O=C(CC[NH+]1CCCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCCC3)ccc1c2NCc1ccc(F)c(F)c1 ZINC000028878758 561976041 /nfs/dbraw/zinc/97/60/41/561976041.db2.gz MZELJHIWLXJCCZ-UHFFFAOYSA-N 3 0 628.768 6.907 1 10 KKCFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)[nH+]c1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2NCc1cc(F)cc(C(F)(F)F)c1 ZINC000028878746 561976059 /nfs/dbraw/zinc/97/60/59/561976059.db2.gz UYTKVSAJFVLONJ-UHFFFAOYSA-N 3 0 650.721 7.007 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCCCNc3c4ccccc4[nH+]c4ccccc43)c2c1 ZINC000029251949 562011247 /nfs/dbraw/zinc/01/12/47/562011247.db2.gz JTSLLHZQZIVHOR-UHFFFAOYSA-N 2 0 563.145 9.616 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC[NH+]3CCN(CCCN(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000043532506 562649354 /nfs/dbraw/zinc/64/93/54/562649354.db2.gz YSWGOGSNLRINIE-UHFFFAOYSA-N 2 0 580.176 7.308 1 10 KKCFRP CN(C)c1cccc2cc(S(=O)(=O)NCCCCCCNc3c4ccccc4[nH+]c4cc(C(=O)NCC[NH+](C)C)ccc43)ccc21 ZINC000064559063 562708273 /nfs/dbraw/zinc/70/82/73/562708273.db2.gz ZJMSTGLCDHWYLT-UHFFFAOYSA-N 2 0 640.854 5.849 1 10 KKCFRP O=C(C[NH2+]Cc1cccc(C(F)(F)F)c1)Nc1cccc2c1C(=O)c1c(NC(=O)C[NH2+]Cc3cccc(C(F)(F)F)c3)cccc1C2=O ZINC000082175668 562741676 /nfs/dbraw/zinc/74/16/76/562741676.db2.gz ILAWSRJDOMLSSS-UHFFFAOYSA-N 2 0 668.594 5.956 1 10 KKCFRP CC[NH+](CC)Cc1cc(Nc2ccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc2)ccc1O ZINC000095590949 562775456 /nfs/dbraw/zinc/77/54/56/562775456.db2.gz YIAHEZIUVPOGQS-ITUZVUEHSA-N 2 0 580.773 6.030 1 10 KKCFRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCN(CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)cc43)C(=O)[C@H](C)NC(=O)OC(C)(C)C)c2c1 ZINC000095607818 562783140 /nfs/dbraw/zinc/78/31/40/562783140.db2.gz VNZBWLPJJMSMAY-SANMLTNESA-N 2 0 799.800 9.850 1 10 KKCFRP C[NH+](C)CCCn1nc2c3c1ccc(NCCC[NH+](C)CCCNc1ccc4c5c(nn4CCC[NH+](C)C)-c4cnccc4C(=O)c51)c3C(=O)c1ccncc1-2 ZINC000095608111 562783358 /nfs/dbraw/zinc/78/33/58/562783358.db2.gz GWVJNXNFRFCESU-UHFFFAOYSA-N 3 0 753.956 5.738 1 10 KKCFRP c1ccc(OCCCCCCCCCOc2ccccc2Nc2c3ccccc3[nH+]c3ccccc32)c(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000095859261 562789619 /nfs/dbraw/zinc/78/96/19/562789619.db2.gz PPJIQEJCPOVHRD-UHFFFAOYSA-N 2 0 696.895 12.765 1 10 KKCFRP CN1C=CC(=C2c3ccc([nH]3)C(c3cc[n+](C)cc3)=C3C=CC(=N3)C(c3cccc(C(N)=O)c3)=C3C=CC(=N3)C(c3cc[n+](C)cc3)=C3C=CC2=N3)C=C1 ZINC000377808480 562896005 /nfs/dbraw/zinc/89/60/05/562896005.db2.gz HVDUKGHVPYCEML-UHFFFAOYSA-O 2 0 704.838 6.117 1 10 KKCFRP CO[C@@]12C=C(c3c4nc5ccccc5c-4ccn3C)[C@@H]3CC[N@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000377819949 562896116 /nfs/dbraw/zinc/89/61/16/562896116.db2.gz WTNYZKZWQFYUCX-MOEOKTRKSA-N 2 0 576.829 7.472 1 10 KKCFRP CO[C@@]12C=C(c3c4nc5ccccc5c-4ccn3C)[C@H]3CC[N@H+](C[C@@]34C[C@@H]3C=CCCCC[NH+]3[C@H]41)CCCC/C=C\CC2 ZINC000377819950 562896130 /nfs/dbraw/zinc/89/61/30/562896130.db2.gz WTNYZKZWQFYUCX-PUAQXRLASA-N 2 0 576.829 7.472 1 10 KKCFRP