smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000003917972 561685249 /nfs/dbraw/zinc/68/52/49/561685249.db2.gz GYMNTCKUAQFLAA-DNGXXSEMSA-N 2 0 544.530 7.813 1 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@]21C ZINC000008036010 561704965 /nfs/dbraw/zinc/70/49/65/561704965.db2.gz GVEAYVLWDAFXET-PGBQJWJASA-N 2 0 572.875 6.111 1 5 KKBFRP CC[NH+](CC)CCC[C@H](C)/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000014088736 561736137 /nfs/dbraw/zinc/73/61/37/561736137.db2.gz HPBJJUSZXGMGSW-WPVSBMFWSA-N 2 0 572.584 8.592 1 5 KKBFRP C[N@H+](CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCC[NH+]2CCOCC2)c1 ZINC000014947412 561744671 /nfs/dbraw/zinc/74/46/71/561744671.db2.gz HZBWHMWKDXVMMX-UHFFFAOYSA-N 2 0 601.744 5.828 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O ZINC000025989686 561764572 /nfs/dbraw/zinc/76/45/72/561764572.db2.gz HTUUWAGTSFXDLB-UHFFFAOYSA-N 2 0 590.809 5.017 1 5 KKBFRP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4C)cc3nc2c1 ZINC000026501412 561795601 /nfs/dbraw/zinc/79/56/01/561795601.db2.gz AFTOIBDEHJTNKF-ZRZAMGCNSA-N 2 0 515.702 5.794 1 5 KKBFRP C[NH+](C)CCNC(=O)c1ccc(NCC[NH+](C)CCNc2ccc(C(=O)NCC[NH+](C)C)c3nc4ccccc4cc23)c2cc3ccccc3nc12 ZINC000026836189 561824380 /nfs/dbraw/zinc/82/43/80/561824380.db2.gz MKKRFWJUNMWXNX-UHFFFAOYSA-N 3 0 699.904 5.128 1 5 KKBFRP CCc1c(C)c2[nH]c1C=C1[NH2+]C(=Cc3[nH]c4c(c3C)C(=O)C=C4C3=[NH+]C(=C2)[C@@H](C)[C@@H]3CCC(=O)OC)C2=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@]12C ZINC000027627185 561873163 /nfs/dbraw/zinc/87/31/63/561873163.db2.gz SYPZLMPHAXOBHY-WHRCFQHZSA-N 2 0 690.797 6.317 1 5 KKBFRP C[C@@H]1CCCC[N@@H+]1CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636738 561874606 /nfs/dbraw/zinc/87/46/06/561874606.db2.gz USQYTSWMROVFKA-UOBOHUDTSA-N 2 0 570.568 8.346 1 5 KKBFRP [NH3+]CCCCCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027637641 561874700 /nfs/dbraw/zinc/87/47/00/561874700.db2.gz XFMKPDFBQCITKB-JJNGWGCYSA-N 2 0 530.503 7.601 1 5 KKBFRP CC[N@@H+]1CCC[C@@H]1C/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027651159 561876566 /nfs/dbraw/zinc/87/65/66/561876566.db2.gz GBCQDORNAXALLH-OFEZZYJOSA-N 2 0 542.514 7.566 1 5 KKBFRP C[C@H]1CCC[NH+](CCC(=O)Nc2ccc3cc4ccc(NC(=O)CC[N@H+]5CCC[C@H](C)C5)cc4nc3c2)C1 ZINC000036330534 562055915 /nfs/dbraw/zinc/05/59/15/562055915.db2.gz JGEGKUSUCAFTEW-GOTSBHOMSA-N 2 0 515.702 5.509 1 5 KKBFRP CCN(CC)c1ccc2c(c1)[o+]c1cc(N(CC)CC)ccc1c2-c1ccc(NC(=S)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])cc1C(=O)[O-] ZINC000049605619 562666130 /nfs/dbraw/zinc/66/61/30/562666130.db2.gz UEGFPRSUFSBTTJ-UHFFFAOYSA-O 2 0 702.990 5.546 1 5 KKBFRP c1ccc2c(c1)cc(C[NH2+]CCCN1CCN(CCC[NH2+]Cc3cc4ccccc4c4ccccc34)CC1)c1ccccc21 ZINC000049626895 562667402 /nfs/dbraw/zinc/66/74/02/562667402.db2.gz DFSXPENFBAFJAW-UHFFFAOYSA-N 2 0 580.820 7.577 1 5 KKBFRP c1ccc2c(c1)[nH]c1c2c(NCCCCCCNc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)[nH+]c2ccccc12 ZINC000049756390 562675001 /nfs/dbraw/zinc/67/50/01/562675001.db2.gz GPLCPMYGGFQOED-UHFFFAOYSA-N 2 0 548.694 9.136 1 5 KKBFRP Cc1cc(NCC[NH+]2CCCCC2)c2ccc3c(ccc4c(NCC[NH+]5CCCCC5)cc(C)nc43)c2n1 ZINC000071329738 562718994 /nfs/dbraw/zinc/71/89/94/562718994.db2.gz HXVAFGJPYRYFAL-UHFFFAOYSA-N 2 0 510.730 6.349 1 5 KKBFRP C[NH+](C)[C@@H](CCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000072123794 562725001 /nfs/dbraw/zinc/72/50/01/562725001.db2.gz GAGLKRZVAFBJBH-PMERELPUSA-N 2 0 647.840 6.623 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[NH+](CCCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178421 562741705 /nfs/dbraw/zinc/74/17/05/562741705.db2.gz KUCAYUBIPJAZNN-UHFFFAOYSA-N 2 0 749.826 5.976 1 5 KKBFRP C[N@H+](CCCOc1ccc2c(c1)oc1ncccc1c2=O)Cc1cccc(OC(=O)NCCCCCCC[NH+]2CCOCC2)c1 ZINC000084758869 562752745 /nfs/dbraw/zinc/75/27/45/562752745.db2.gz ZFRILRHOSKWEAM-UHFFFAOYSA-N 2 0 616.759 5.613 1 5 KKBFRP O=C(CC[NH2+]C1CCCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CC[NH2+]C6CCCCC6)cc5)c4[nH]c23)cc1 ZINC000095536762 562754104 /nfs/dbraw/zinc/75/41/04/562754104.db2.gz GBMWQXGJUMUGGK-UHFFFAOYSA-N 2 0 769.947 7.688 1 5 KKBFRP CC1(C)c2cc(Br)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Cl)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Br)cc2C1(C)C ZINC000095558414 562762417 /nfs/dbraw/zinc/76/24/17/562762417.db2.gz PHMXSDHSXBJNQI-UHFFFAOYSA-N 3 0 748.112 9.141 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095559756 562762827 /nfs/dbraw/zinc/76/28/27/562762827.db2.gz FMMXWLRNLGRHTM-JTLVWPPKSA-N 2 0 552.844 6.061 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095561353 562763354 /nfs/dbraw/zinc/76/33/54/562763354.db2.gz FRVJBJWUCLTVEE-UVIBDDKCSA-N 2 0 516.811 5.415 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+]5(C)CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095562103 562763590 /nfs/dbraw/zinc/76/35/90/562763590.db2.gz OIOVNLJLQWBTMZ-BOVZQSQBSA-N 2 0 502.784 5.025 1 5 KKBFRP O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606508 562782109 /nfs/dbraw/zinc/78/21/09/562782109.db2.gz RAQKVMIYYZYGTD-FNQDKCGUSA-N 2 0 794.787 8.929 1 5 KKBFRP [NH3+]C1CC[N+](Cc2ccccc2)(C(=O)C[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000095613029 562786016 /nfs/dbraw/zinc/78/60/16/562786016.db2.gz STADNAVZDNIDMI-VNUGCNKXSA-O 2 0 780.868 6.231 1 5 KKBFRP [NH3+]C1CC[N+](Cc2ccccc2)(C(=O)C[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000095613168 562786119 /nfs/dbraw/zinc/78/61/19/562786119.db2.gz STADNAVZDNIDMI-LFHILHRMSA-O 2 0 780.868 6.231 1 5 KKBFRP [NH3+]CCCOc1cc(OCCC[NH3+])cc(-n2cc(-c3ccc4c(ccc5cc(-c6cn(-c7cc(OCCC[NH3+])cc(OCCC[NH3+])c7)nn6)ccc54)c3)nn2)c1 ZINC000096933247 562803591 /nfs/dbraw/zinc/80/35/91/562803591.db2.gz NQHLMXQNWBPSGA-UHFFFAOYSA-N 4 0 756.912 5.399 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000100370745 562806895 /nfs/dbraw/zinc/80/68/95/562806895.db2.gz QWRGFVNWPNJKJU-CMCHYGFSSA-N 2 0 505.571 5.051 1 5 KKBFRP CC1(C)c2c(ccc3ccccc23)[N+](CCC[N+](C)(C)C)=C1/C=C/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccc3ccccc3c2C1(C)C ZINC000103233828 562818540 /nfs/dbraw/zinc/81/85/40/562818540.db2.gz DELBIEPSENIPRM-UHFFFAOYSA-N 3 0 655.995 9.356 1 5 KKBFRP CCC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCn4cc(CCCCCC[N@@H+]5CCc6cc(OC)c(OC)cc6[C@@H]5c5cccc([N+](=O)[O-])c5)nn4)c3[C@@H](C1)C2 ZINC000169304230 562853295 /nfs/dbraw/zinc/85/32/95/562853295.db2.gz DRYDFCTXPZWATR-QNENRRRGSA-N 2 0 790.409 9.654 1 5 KKBFRP COc1ccccc1C[NH2+]CCCNCCC[NH2+]CCCn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000169720381 562871332 /nfs/dbraw/zinc/87/13/32/562871332.db2.gz NLCQQMLZYJKGLV-UHFFFAOYSA-N 3 0 576.789 5.623 1 5 KKBFRP COc1c(OCCCCN2CC[NH2+]CC2)cc2oc3cc(OCCCCN4CC[NH2+]CC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000206911595 562876568 /nfs/dbraw/zinc/87/65/68/562876568.db2.gz SQDANZRLKRFJBU-UHFFFAOYSA-N 2 0 690.926 5.806 1 5 KKBFRP CC[NH+](CC)CCC[C@@H](C)Nc1cc(Cl)cc2nc3c4ccccc4n(CC[NH+]4CCCC4)c3cc21 ZINC000299871370 562895678 /nfs/dbraw/zinc/89/56/78/562895678.db2.gz YHAYHZIXMISXOG-JOCHJYFZSA-N 2 0 506.138 7.014 1 5 KKBFRP c1ccc2c(c1)nc1ccc3ccn(CC[NH+]4CCC(C5CC[NH+](CCn6ccc7ccc8nc9ccccc9c8c7c6)CC5)CC4)cc3c12 ZINC000377386480 562895856 /nfs/dbraw/zinc/89/58/56/562895856.db2.gz AZIMEVPTKKAJIN-UHFFFAOYSA-N 2 0 656.878 9.123 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CC[NH+]5CCC(CCCC6CC[NH+](CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377365000 562895872 /nfs/dbraw/zinc/89/58/72/562895872.db2.gz OAPSNAJHSNYHAG-UHFFFAOYSA-N 2 0 759.011 10.311 1 5 in-vitro KKBFRP CCn1c2nc3ccc(OC)cc3c-2c(C)c2c1ccnc2NCCC[NH2+]CCCNc1nccc2c1c(C)c1c3cc(OC)ccc3[nH]c1[n+]2CC ZINC000377799877 562895951 /nfs/dbraw/zinc/89/59/51/562895951.db2.gz GQVZBKOSTKWIJR-UHFFFAOYSA-O 2 0 710.907 6.571 1 5 KKBFRP COc1ccc2nc3ccc4ccn(C[C@@H](O)C[NH+]5CCC(C6CC[NH+](C[C@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819882 562896124 /nfs/dbraw/zinc/89/61/24/562896124.db2.gz DPAPEWUYBPAMKW-ZPGRZCPFSA-N 2 0 776.982 7.862 1 5 KKBFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000085541012 565139144 /nfs/dbraw/zinc/13/91/44/565139144.db2.gz QQJYBIOINVHLKO-ACHIHNKUSA-O 2 0 683.822 6.636 1 5 biogenic,in-vitro KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000254103473 717169944 /nfs/dbraw/zinc/16/99/44/717169944.db2.gz SCZOPTBMQBAZQB-GFEGKYNESA-N 2 0 642.928 8.781 1 5 KKBFRP c1ccc(C[N+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N+]6(Cc7ccccc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1 ZINC000095539873 717138776 /nfs/dbraw/zinc/13/87/76/717138776.db2.gz PMDWRQSBVADLQY-TZHLVZAZSA-N 2 0 769.046 8.061 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1 ZINC000253692933 717167911 /nfs/dbraw/zinc/16/79/11/717167911.db2.gz UHJYENFJYMCEKQ-NCRNUEESSA-P 2 0 702.988 7.377 1 5 KKBFRP CCC[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253898290 717168968 /nfs/dbraw/zinc/16/89/68/717168968.db2.gz RZXCKNVSSZPLGB-CHSMVWFASA-N 2 0 670.942 6.116 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@](C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[N@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000253951839 717169536 /nfs/dbraw/zinc/16/95/36/717169536.db2.gz LIIILPIXOYWUHW-ZKHCABJKSA-N 2 0 600.844 6.256 3 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@](C(=O)O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000253951837 717169585 /nfs/dbraw/zinc/16/95/85/717169585.db2.gz LIIILPIXOYWUHW-UMDULWSTSA-N 2 0 600.844 6.256 3 5 KKBFRP c1ccc(C[N@@+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N@@+]7(Cc8ccccc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 ZINC000261117037 717178833 /nfs/dbraw/zinc/17/88/33/717178833.db2.gz IXWVDIIFVCHSRO-KUAGRDSLSA-N 2 0 767.030 7.697 1 5 KKBFRP CC[C@@H]1C[N@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@+]2(C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822483 717180778 /nfs/dbraw/zinc/18/07/78/717180778.db2.gz IPWNRZCTXLPXCU-OTWXPSEASA-N 2 0 602.867 5.551 1 5 KKBFRP CC[C@@H]1C[N@@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822467 717180782 /nfs/dbraw/zinc/18/07/82/717180782.db2.gz IPWNRZCTXLPXCU-IHNIEUHNSA-N 2 0 602.867 5.551 1 5 KKBFRP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3[N+](C)(C)CC2 ZINC000004245635 561694556 /nfs/dbraw/zinc/69/45/56/561694556.db2.gz MZTXBESCVZFFQE-URLMMPGGSA-O 2 0 609.743 6.701 3 5 KKBFRP C[N@H+](CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCC[NH+]2CCOCC2)c1 ZINC000014947420 561744705 /nfs/dbraw/zinc/74/47/05/561744705.db2.gz GJGXTGDTRQMKRF-UHFFFAOYSA-N 2 0 643.825 6.998 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000025990140 561764605 /nfs/dbraw/zinc/76/46/05/561764605.db2.gz ATQGKVAWXJGKDO-UHFFFAOYSA-N 2 0 590.809 5.017 1 5 KKBFRP Cc1cc(SCC[NH+]2CCCCC2)c2cc3c(SCC[NH+]4CCCCC4)cc(C)nc3c(C)c2n1 ZINC000027318270 561852084 /nfs/dbraw/zinc/85/20/84/561852084.db2.gz DAMTZTPMPMGKQB-UHFFFAOYSA-N 2 0 508.801 6.864 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc[n+](C)cc13)n2CC[NH+]1CCC(C2CC[NH+](CCn3c4ccc(OC)cc4c4c3ccc3cc[n+](C)cc43)CC2)CC1 ZINC000027886564 561889599 /nfs/dbraw/zinc/88/95/99/561889599.db2.gz AXXNKWJMKALKFP-UHFFFAOYSA-N 4 0 747.000 7.999 1 5 KKBFRP O[C@H](COc1ccc(C(c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1)C[NH+]1CCCCC1 ZINC000028529594 561934157 /nfs/dbraw/zinc/93/41/57/561934157.db2.gz ZLFYLYMXBQDSTJ-ZPGRZCPFSA-N 2 0 658.883 7.624 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)[C@H](c2ccccc2)C2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000029205763 562005066 /nfs/dbraw/zinc/00/50/66/562005066.db2.gz TWNAUTMQNPBBFJ-DCYROCAESA-N 2 0 561.679 6.640 1 5 KKBFRP Cc1cccc2nc3cccc(C(=O)NCCCC[NH2+]CCCC[NH2+]CCCCNC(=O)c4cccc5nc6cccc(C)c6nc54)c3nc12 ZINC000029208401 562005374 /nfs/dbraw/zinc/00/53/74/562005374.db2.gz IJJYCBNEGZQZJX-UHFFFAOYSA-N 2 0 670.862 6.176 1 5 KKBFRP COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CSCC[NH+](C)C)cc3c3c4c(c5c6cc(CSCC[NH+](C)C)ccc6n2c5c31)C(=O)NC4 ZINC000029315923 562012474 /nfs/dbraw/zinc/01/24/74/562012474.db2.gz PXLLDBDHYSZSQP-ZTALTGERSA-N 2 0 701.915 5.245 1 5 in-vivo KKBFRP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cccc(c1O)C[C@H]3[N+](C)(C)CC2 ZINC000036079938 562046147 /nfs/dbraw/zinc/04/61/47/562046147.db2.gz UGVZQONVYMSONW-FQLXRVMXSA-O 2 0 609.743 6.701 1 5 KKBFRP C[N+](C)(CCCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049785247 562683983 /nfs/dbraw/zinc/68/39/83/562683983.db2.gz HKENFISSSBEOTH-UHFFFAOYSA-N 2 0 690.929 7.549 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000049889445 562692078 /nfs/dbraw/zinc/69/20/78/562692078.db2.gz VBOOTTOFKQKSDE-UHFFFAOYSA-N 2 0 664.902 8.202 1 5 KKBFRP Nc1ccc2cc3cc(NCc4cccc(CNc5ccc6cc7ccc(N)cc7[nH+]c6c5)n4)ccc3[nH+]c2c1 ZINC000066112408 562712037 /nfs/dbraw/zinc/71/20/37/562712037.db2.gz PLGDARWNGOWQHI-UHFFFAOYSA-N 2 0 521.628 6.873 1 5 KKBFRP O=c1c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CC[NH+]6CCCCC6)c(=O)c6ccc(c7c(N8CCCCC8)cc(c(=O)n1CC[NH+]1CCCCC1)c2c37)c4c65 ZINC000095547493 562758739 /nfs/dbraw/zinc/75/87/39/562758739.db2.gz ZQFBWBVYJLINJC-UHFFFAOYSA-N 2 0 778.998 6.915 1 5 KKBFRP CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])c1=O)Cc1ccccc1[N+](=O)[O-] ZINC000150383719 562843377 /nfs/dbraw/zinc/84/33/77/562843377.db2.gz WLTAFWKKNBLBHO-UHFFFAOYSA-N 2 0 680.891 6.589 1 5 in-vitro KKBFRP C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(-c2ccccc2)cc1)Cc1ccc(-c2ccccc2)cc1 ZINC000169336912 562859907 /nfs/dbraw/zinc/85/99/07/562859907.db2.gz LNGFARBWEKAWKG-UHFFFAOYSA-N 2 0 506.778 8.434 1 5 KKBFRP C[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@+]3(C)CCCC[C@H]3C)ccc1-2 ZINC000253635804 562882266 /nfs/dbraw/zinc/88/22/66/562882266.db2.gz CXZOGLKSWHZXDY-NGACFLBFSA-P 2 0 546.756 5.593 1 5 KKBFRP CC[C@@H]1C[N@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299831096 562885453 /nfs/dbraw/zinc/88/54/53/562885453.db2.gz XVLDELMYWDBFCC-JNBOQQQKSA-N 2 0 586.868 6.578 1 5 KKBFRP c1ccc2ncc(CCC[n+]3ccc(-c4ccncc4)cc3)cnc3ccccc3ncc(CCCN3C=CC(=C4C=C[NH2+]C=C4)C=C3)cnc2c1 ZINC000377799784 562895948 /nfs/dbraw/zinc/89/59/48/562895948.db2.gz UUFPKGIHXPOWJL-UHFFFAOYSA-N 2 0 681.868 8.007 1 5 KKBFRP COc1ccc2nc3ccc4cn(CC[NH+]5CCC(C6CC[NH+](CCn7ccc8c9c(ccc8c7)nc7ccc(OC)cc79)CC6)CC5)ccc4c3c2c1 ZINC000377805965 562895984 /nfs/dbraw/zinc/89/59/84/562895984.db2.gz XLZGCGPLPFIHPY-UHFFFAOYSA-N 2 0 716.930 9.140 1 5 KKBFRP CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473116730 562899204 /nfs/dbraw/zinc/89/92/04/562899204.db2.gz XRMMDZSSROXOHT-UVTBUIGASA-N 2 0 706.929 7.123 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049780211 717130055 /nfs/dbraw/zinc/13/00/55/717130055.db2.gz SCZOPTBMQBAZQB-ALNOSBHQSA-N 2 0 642.928 8.781 1 5 KKBFRP CC(=O)O[C@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000169488134 717156508 /nfs/dbraw/zinc/15/65/08/717156508.db2.gz GVEAYVLWDAFXET-LSCRWODOSA-N 2 0 572.875 6.111 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000254103483 717169931 /nfs/dbraw/zinc/16/99/31/717169931.db2.gz SCZOPTBMQBAZQB-GZOSUITBSA-N 2 0 642.928 8.781 1 5 KKBFRP CC[C@H]1CCCC[N+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+]3(C)CCCC[C@@H]3CC)ccc1-2 ZINC000026637011 717114237 /nfs/dbraw/zinc/11/42/37/717114237.db2.gz UXGPPDHCFWEFPK-KGAPJFNISA-P 2 0 574.810 6.373 1 5 KKBFRP CCc1c[n+]2ccc3c([nH]c4cccc(OC)c43)c2cc1C1=CN2c3ccccc3[C@@]34CC[N+]5(C)CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@@H]45 ZINC000161400031 717154603 /nfs/dbraw/zinc/15/46/03/717154603.db2.gz YPRVNVFJGQUFKN-QFQUXZBZSA-O 2 0 608.786 6.306 1 5 KKBFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000238742873 717162338 /nfs/dbraw/zinc/16/23/38/717162338.db2.gz KZQOMXKLASFQRY-JSOSNVBQSA-N 2 0 637.797 7.307 1 5 KKBFRP CC[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@+]3(C)CCCC[C@H]3CC)ccc1-2 ZINC000253694628 717168024 /nfs/dbraw/zinc/16/80/24/717168024.db2.gz UXGPPDHCFWEFPK-BEHOWTNMSA-P 2 0 574.810 6.373 1 5 KKBFRP CC=C1C[N+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)CC7=CC)c7ccccc7N7C=C([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000085491721 291887055 /nfs/dbraw/zinc/88/70/55/291887055.db2.gz DWELRYDMYVJVSL-SPOUSEEASA-N 2 0 596.819 5.302 1 5 biogenic,in-vitro KKBFRP Cc1cc(C)c2c(=[NH2+])c3ccccc3n(CCCCCCn3c4ccccc4c(=[NH2+])c4c(C)cc(C)nc43)c2n1 ZINC000005580103 561696948 /nfs/dbraw/zinc/69/69/48/561696948.db2.gz MGRNASASVLCAAS-UHFFFAOYSA-N 2 0 528.704 7.146 1 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000008035308 561704433 /nfs/dbraw/zinc/70/44/33/561704433.db2.gz GVEAYVLWDAFXET-KNBVZHLDSA-N 2 0 572.875 6.111 1 5 KKBFRP COc1ccc2[nH]c3ccc4cc(NCC[NH+]5CCC(C6CC[NH+](CCNc7ccc8c9c(ccc8c7)[nH]c7ccc(OC)cc79)CC6)CC5)ccc4c3c2c1 ZINC000026189001 561773227 /nfs/dbraw/zinc/77/32/27/561773227.db2.gz WUDSMODRPPHTPU-UHFFFAOYSA-N 2 0 744.984 10.227 1 5 KKBFRP C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3cc4ccc(NC(=O)CC[N@H+]5CCC[C@@H](C)C5)cc4nc3c2)C1 ZINC000026498547 561794807 /nfs/dbraw/zinc/79/48/07/561794807.db2.gz JGEGKUSUCAFTEW-DHIUTWEWSA-N 2 0 515.702 5.509 1 5 in-vitro KKBFRP C[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4C)cc3nc2c1 ZINC000026501415 561795597 /nfs/dbraw/zinc/79/55/97/561795597.db2.gz AFTOIBDEHJTNKF-GOTSBHOMSA-N 2 0 515.702 5.794 1 5 KKBFRP CCC[N@H+](CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987880 561832148 /nfs/dbraw/zinc/83/21/48/561832148.db2.gz GCKJGNJTFRHZIF-MGBGTMOVSA-O 2 0 751.997 6.385 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CCC[NH2+]C2CCCCC2)cc1 ZINC000027642803 561875506 /nfs/dbraw/zinc/87/55/06/561875506.db2.gz YWMKSSMJJYFSNR-SMTCOIIISA-N 2 0 570.568 8.394 1 5 KKBFRP CCCC[NH+](CCCC)CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027645634 561875815 /nfs/dbraw/zinc/87/58/15/561875815.db2.gz LAIVCLHZAODNGP-KPITYXSVSA-N 2 0 600.638 9.374 1 5 KKBFRP OCC[NH+](CCO)CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027649099 561876217 /nfs/dbraw/zinc/87/62/17/561876217.db2.gz NAOMRUZXRMIVBL-DNGXXSEMSA-N 2 0 576.528 5.758 1 5 KKBFRP CC[NH2+]CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636108 561874423 /nfs/dbraw/zinc/87/44/23/561874423.db2.gz DJJCXLBMGIKDOF-INKHBPHZSA-N 2 0 516.476 7.081 1 5 KKBFRP O[C@H](COc1ccc(C(c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1)C[NH+]1CCCC1 ZINC000028529171 561933662 /nfs/dbraw/zinc/93/36/62/561933662.db2.gz ADGSCFWBRFHBMB-HEVIKAOCSA-N 2 0 630.829 6.844 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3ccc(N)c(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820416 561966000 /nfs/dbraw/zinc/96/60/00/561966000.db2.gz FTQSOVAGSLIKMV-UHFFFAOYSA-O 2 0 641.857 5.444 1 5 KKBFRP CC(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccc([N+](=O)[O-])cc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953986 561982738 /nfs/dbraw/zinc/98/27/38/561982738.db2.gz SNYIAAKWONLIQQ-IHLOFXLRSA-N 2 0 582.189 5.309 1 5 KKBFRP CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]3(C)CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029333268 562014092 /nfs/dbraw/zinc/01/40/92/562014092.db2.gz DPFGASYZVYNHMO-JDGMQSBCSA-N 2 0 649.727 7.555 1 5 KKBFRP O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)C[NH+]6CCCC6)cc5)c4[nH]c23)cc1 ZINC000049694497 562669410 /nfs/dbraw/zinc/66/94/10/562669410.db2.gz LUQVKTBCNVUURG-UHFFFAOYSA-N 2 0 685.785 5.255 1 5 KKBFRP C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049783923 562683305 /nfs/dbraw/zinc/68/33/05/562683305.db2.gz XTRPSXGQBIMFFV-UHFFFAOYSA-N 2 0 620.794 5.598 1 5 KKBFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000049898571 562692670 /nfs/dbraw/zinc/69/26/70/562692670.db2.gz FJKQCZAIQHRDHC-KNXHFOKOSA-N 2 0 695.836 5.819 1 5 KKBFRP C[NH+](C)[C@H](CCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000072123795 562725005 /nfs/dbraw/zinc/72/50/05/562725005.db2.gz GAGLKRZVAFBJBH-SSEXGKCCSA-N 2 0 647.840 6.623 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082181602 562741832 /nfs/dbraw/zinc/74/18/32/562741832.db2.gz XOAILEHFAIIFAK-UHFFFAOYSA-N 2 0 750.834 5.730 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCC(C[NH2+]CCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082182107 562742117 /nfs/dbraw/zinc/74/21/17/562742117.db2.gz ZMDHAYPBAZOCJV-UHFFFAOYSA-N 2 0 749.826 5.880 1 5 KKBFRP C[NH+](C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000095564399 562764297 /nfs/dbraw/zinc/76/42/97/562764297.db2.gz YOBQZXHKWPNPCD-PGUFJCEWSA-N 2 0 785.436 8.563 1 5 KKBFRP COc1c(OCCCC[NH+]2CCCC2)cc2oc3cc(OCCCC[NH+]4CCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095588166 562774542 /nfs/dbraw/zinc/77/45/42/562774542.db2.gz GAZXCEALXSQVJS-UHFFFAOYSA-N 2 0 660.896 8.187 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 ZINC000150545679 562844404 /nfs/dbraw/zinc/84/44/04/562844404.db2.gz ICRGOSHVMLLJOQ-ZZIWQRSESA-N 2 0 696.980 8.788 1 5 KKBFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@@H](CC(=O)NCc3ccc([N+](=O)[O-])cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307073 562853701 /nfs/dbraw/zinc/85/37/01/562853701.db2.gz YAVYWHOJVLHGMF-PGUFJCEWSA-N 2 0 631.781 5.696 1 5 KKBFRP CCc1c(C)c2[nH]c1C=C1[NH2+]C(=Cc3[nH]c4c(c3C)C(=O)C=C4C3=[NH+]C(=C2)[C@@H](C)[C@@H]3CCC(=O)OC)C2=CC=C(C(=O)OC)[C@@H](C(=O)OC)[C@@]12C ZINC000169372964 562864875 /nfs/dbraw/zinc/86/48/75/562864875.db2.gz SYPZLMPHAXOBHY-UWHYGCCKSA-N 2 0 690.797 6.317 1 5 KKBFRP O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc2ccc3ccc(C(=O)Nc4ccc(OCC[NH+]5CCCC5)cc4)nc3c2n1 ZINC000198504264 562872740 /nfs/dbraw/zinc/87/27/40/562872740.db2.gz SBFOAHZFNBRPAE-UHFFFAOYSA-N 2 0 644.776 6.237 1 5 KKBFRP Fc1ccc(C(=CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@H](C[NH+]2Cc2c5ccccc5cc5ccccc52)[C@@H]34)c2ccc(F)cc2)cc1 ZINC000299836303 562887090 /nfs/dbraw/zinc/88/70/90/562887090.db2.gz MYLVXZBZKDWAAL-WUDSOQQNSA-N 2 0 612.808 9.858 1 5 KKBFRP Fc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)c(Cl)c4)c-3c/c2=[NH+]/CCCCCCC23CCCC[NH+]2CCCC3)cc1Cl ZINC000299840644 562888595 /nfs/dbraw/zinc/88/85/95/562888595.db2.gz VWJRISQWBVBHPG-WGJVATFNSA-N 2 0 688.694 10.719 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299841185 562888773 /nfs/dbraw/zinc/88/87/73/562888773.db2.gz YLBJZMFDQVANBC-NVOLYDOPSA-N 2 0 541.743 7.819 1 5 KKBFRP Clc1ccc2c(c1)c1nc3cc(Cl)cc(NCCC[NH+]4CCCCC4)c3cc1n2CC[NH+]1CCCC1 ZINC000299861517 562893353 /nfs/dbraw/zinc/89/33/53/562893353.db2.gz IIKJTBZXYVEEJJ-UHFFFAOYSA-N 2 0 524.540 7.033 1 5 KKBFRP COc1ccc2nc3ccc4ccn(C[C@H](O)C[NH+]5CCC(C6CC[NH+](C[C@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819881 562896107 /nfs/dbraw/zinc/89/61/07/562896107.db2.gz DPAPEWUYBPAMKW-TYHGNQNSSA-N 2 0 776.982 7.862 1 5 KKBFRP C[C@H]1CCc2c([nH+]c3ccc([N+](=O)[O-])cc3c2NCCCCCCNc2c3cc([N+](=O)[O-])ccc3[nH+]c3c2CC[C@H](C)C3)C1 ZINC000653913848 562917754 /nfs/dbraw/zinc/91/77/54/562917754.db2.gz CTGCRNKZFJJRHE-VXKWHMMOSA-N 2 0 596.732 6.777 1 5 KKBFRP C[C@H]1CCCC[N+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+]3(C)CCCC[C@@H]3C)ccc1-2 ZINC000026579862 717113951 /nfs/dbraw/zinc/11/39/51/717113951.db2.gz CXZOGLKSWHZXDY-SQQLZNQCSA-P 2 0 546.756 5.593 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000027548028 717114542 /nfs/dbraw/zinc/11/45/42/717114542.db2.gz GVEAYVLWDAFXET-QVPXWUOXSA-N 2 0 572.875 6.111 1 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000095681437 717139633 /nfs/dbraw/zinc/13/96/33/717139633.db2.gz GVEAYVLWDAFXET-KTIBIPEKSA-N 2 0 572.875 6.111 1 5 KKBFRP C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169333569 717155409 /nfs/dbraw/zinc/15/54/09/717155409.db2.gz GSNBFVUNURCXIQ-YZNAZWRISA-N 2 0 586.820 7.221 1 5 KKBFRP C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169337825 717155863 /nfs/dbraw/zinc/15/58/63/717155863.db2.gz SMOUFAGGAGLPGE-LPOLJJELSA-N 2 0 600.847 7.611 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253777187 717168185 /nfs/dbraw/zinc/16/81/85/717168185.db2.gz GSNBFVUNURCXIQ-MVJOSCLSSA-N 2 0 586.820 7.221 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@@](C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[N@@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000254043375 717169296 /nfs/dbraw/zinc/16/92/96/717169296.db2.gz LIIILPIXOYWUHW-OKPILGQXSA-N 2 0 600.844 6.256 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@@](C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[N@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000254043379 717169493 /nfs/dbraw/zinc/16/94/93/717169493.db2.gz LIIILPIXOYWUHW-OMDOCGIASA-N 2 0 600.844 6.256 1 5 KKBFRP c1ccc(C[N@@+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N@@+]6(Cc7ccccc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1 ZINC000261153804 717178987 /nfs/dbraw/zinc/17/89/87/717178987.db2.gz PMDWRQSBVADLQY-MBZNXYONSA-N 2 0 769.046 8.061 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111461 717179128 /nfs/dbraw/zinc/17/91/28/717179128.db2.gz IDKSCGSLZJPHGN-YMZAAHCZSA-N 2 0 614.874 8.001 1 5 KKBFRP O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000003942185 561689445 /nfs/dbraw/zinc/68/94/45/561689445.db2.gz RMHXBGPZGBVWTG-UHFFFAOYSA-N 2 0 634.736 6.151 1 5 KKBFRP CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000025987511 561764368 /nfs/dbraw/zinc/76/43/68/561764368.db2.gz HXYQICPVRJUPOD-UHFFFAOYSA-N 2 0 626.842 5.862 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000026271974 561777420 /nfs/dbraw/zinc/77/74/20/561777420.db2.gz OLZWEMQIYGIGSG-NCRNUEESSA-N 2 0 672.958 7.971 1 5 KKBFRP CC[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4CC)cc3nc2c1 ZINC000026496500 561794480 /nfs/dbraw/zinc/79/44/80/561794480.db2.gz ZWPUGYBFVBXUSX-VMPREFPWSA-N 2 0 543.756 6.574 1 5 KKBFRP CCC[N@H+](CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)C[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026987872 561832133 /nfs/dbraw/zinc/83/21/33/561832133.db2.gz GCKJGNJTFRHZIF-XIFFEERXSA-O 2 0 751.997 6.385 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCC[N+](C)(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027208289 561846452 /nfs/dbraw/zinc/84/64/52/561846452.db2.gz WMFWHCRTHYQHGI-MHZLTWQESA-O 2 0 553.686 7.324 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027210938 561847177 /nfs/dbraw/zinc/84/71/77/561847177.db2.gz IKCOPTIVXBNSMS-XIFFEERXSA-O 2 0 637.848 9.664 1 5 KKBFRP Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=[NH+]\CCC[NH2+]C2CCCCC2)cc1 ZINC000027637225 561874716 /nfs/dbraw/zinc/87/47/16/561874716.db2.gz UHDFTKSSVGWBIJ-USLOJTSYSA-N 2 0 529.732 7.704 1 5 KKBFRP OCCC[NH+]1CCN(CCC/[NH+]=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027638060 561874887 /nfs/dbraw/zinc/87/48/87/561874887.db2.gz DGMXSACGUZPKOP-GGFUHWEBSA-N 2 0 615.609 6.472 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)O[C@H](C)C[N@H+](C)C[C@@H]2COc3ccccc3O2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC(C)C ZINC000029204276 562004892 /nfs/dbraw/zinc/00/48/92/562004892.db2.gz XICJUBHECCAKFW-BNNLYJGUSA-N 2 0 579.650 5.325 1 5 KKBFRP C[NH+](C)CCN1C(=O)c2c3c4ccc(OCc5ccccc5)cc4[nH]c3c3[nH]c4cc[nH+]cc4c3c2C1=O ZINC000040972630 562086940 /nfs/dbraw/zinc/08/69/40/562086940.db2.gz HHMPDJRXEXUVDO-UHFFFAOYSA-N 2 0 503.562 5.087 1 5 KKBFRP CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]3(Cc4ccccc4)CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049627426 562667489 /nfs/dbraw/zinc/66/74/89/562667489.db2.gz DLGPWOJRFLRLLR-AIQCQOGOSA-N 2 0 725.825 9.126 1 5 KKBFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)[NH+](C)CC4 ZINC000049650008 562667954 /nfs/dbraw/zinc/66/79/54/562667954.db2.gz ABBWCZBJFPOQMK-MPQUPPDSSA-N 2 0 743.857 8.641 1 5 KKBFRP O=C(CCC[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CCC[NH+]6CCCC6)cc5)c4[nH]c23)cc1 ZINC000049679291 562668824 /nfs/dbraw/zinc/66/88/24/562668824.db2.gz YKVJRFQLZRDQKP-UHFFFAOYSA-N 2 0 741.893 6.815 1 5 KKBFRP c1ccc2c(c1)[nH]c1c2c(NCCC[NH2+]CCCNc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)[nH+]c2ccccc12 ZINC000049756281 562674964 /nfs/dbraw/zinc/67/49/64/562674964.db2.gz WGFVPIYJJMOGEI-UHFFFAOYSA-N 3 0 563.709 7.946 1 5 KKBFRP C[NH+](CCCNc1[nH+]c2ccccc2c2[nH]c3ccccc3c21)CCCNc1[nH+]c2ccccc2c2[nH]c3ccccc3c21 ZINC000049757180 562675655 /nfs/dbraw/zinc/67/56/55/562675655.db2.gz KSPMNARLPDCIMO-UHFFFAOYSA-N 3 0 577.736 8.288 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cc(N)cc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cc(N)cc(c32)C1=O ZINC000049783830 562683248 /nfs/dbraw/zinc/68/32/48/562683248.db2.gz ZMAMBMPFZKQDNQ-UHFFFAOYSA-N 2 0 734.986 6.815 1 5 KKBFRP CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000049841310 562688235 /nfs/dbraw/zinc/68/82/35/562688235.db2.gz ISDDMLODBITQPG-MPQUPPDSSA-N 2 0 657.856 5.451 1 5 KKBFRP C[N+](C)(C)CCCOc1cccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cccc(OCCC[N+](C)(C)C)c4)c4ccc(cc5ccc2n5)[nH]4)n3)c1 ZINC000068150072 562715792 /nfs/dbraw/zinc/71/57/92/562715792.db2.gz CODONSXRXCOSII-UHFFFAOYSA-N 2 0 694.924 9.154 1 5 KKBFRP [NH3+]CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 ZINC000072118927 562723715 /nfs/dbraw/zinc/72/37/15/562723715.db2.gz ADNFGSAOZGWBEK-AREMUKBSSA-N 2 0 531.582 6.259 1 5 KKBFRP COc1cccc2c1CCC[C@H]2CCC[NH+]1CCN(C2CC[NH+](CCCCCCNc3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000072181302 562732722 /nfs/dbraw/zinc/73/27/22/562732722.db2.gz ZNAHVWKMCCDTQB-MHZLTWQESA-N 2 0 633.838 6.094 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178436 562741686 /nfs/dbraw/zinc/74/16/86/562741686.db2.gz MSNXOWJINDMYCP-UHFFFAOYSA-N 2 0 736.807 5.340 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc[n+](CCN4CCC(CC5CCN(CC[n+]6ccc7ccc8c(c9cc(OC)ccc9n8C)c7c6)CC5)CC4)cc13)n2C ZINC000095539891 562755359 /nfs/dbraw/zinc/75/53/59/562755359.db2.gz DGPZSSHHDPLOLO-UHFFFAOYSA-N 2 0 761.027 8.389 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000095611954 562785157 /nfs/dbraw/zinc/78/51/57/562785157.db2.gz RZJSTKKJVDYIOA-CSUHCGBHSA-N 2 0 774.824 8.126 1 5 KKBFRP CCC1=C[C@H]2Cc3[nH+]c4cc(Cl)ccc4c(NCCn4cc(CCCCCC[N@@H+]5CCc6cc(OC)c(OC)cc6[C@H]5c5cccc([N+](=O)[O-])c5)nn4)c3[C@@H](C1)C2 ZINC000253676387 562882769 /nfs/dbraw/zinc/88/27/69/562882769.db2.gz DRYDFCTXPZWATR-GOSSVWMOSA-N 2 0 790.409 9.654 1 5 KKBFRP Fc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=[NH+]/CCCCCCC23CCCC[NH+]2CCCC3)cc1 ZINC000299839181 562888089 /nfs/dbraw/zinc/88/80/89/562888089.db2.gz RWPYPIHGTGMDON-OEXHGEGMSA-N 2 0 619.804 9.412 1 5 KKBFRP Cc1c2nc3ccc(O)cc3c2c(C)c2cn(CC[NH+]3CCC(C4CC[NH+](CCn5ccc6c(C)c7nc8ccc(O)cc8c7c(C)c6c5)CC4)CC3)ccc12 ZINC000377807468 562895968 /nfs/dbraw/zinc/89/59/68/562895968.db2.gz FXSAIXGQFDNDRV-UHFFFAOYSA-N 2 0 744.984 9.768 1 5 KKBFRP COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3cc(O)c(c(OC)c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)=C3C2 ZINC000042920177 717127798 /nfs/dbraw/zinc/12/77/98/717127798.db2.gz IGCBNXDEKFYRII-HKBQPEDESA-O 2 0 622.762 6.463 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049783949 717130522 /nfs/dbraw/zinc/13/05/22/717130522.db2.gz OFVCLEVYGVDROK-HXNOGGBRSA-N 2 0 572.793 6.831 1 5 KKBFRP c1ccc(C[N+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N+]7(Cc8ccccc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 ZINC000095583300 717139309 /nfs/dbraw/zinc/13/93/09/717139309.db2.gz IXWVDIIFVCHSRO-BYIFANINSA-N 2 0 767.030 7.697 1 5 KKBFRP CC[N+]1(CCCOC(=O)[C@H]2[C@H](c3ccccc3)[C@H](C(=O)OCCC[N+]3(CC)CCCCC3)[C@H]2c2ccccc2)CCCCC1 ZINC000100375809 717143328 /nfs/dbraw/zinc/14/33/28/717143328.db2.gz FXOXTULDVBQKNV-VKAPFSNZSA-N 2 0 604.876 6.708 1 5 in-man KKBFRP c1ccc(N2[C@@H]3[C@H]4CC[N+]5([C@@H]6C=CCCC6)CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N+]6([C@@H]7C=CCCC7)CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@@H]56)cc1 ZINC000169355553 717156185 /nfs/dbraw/zinc/15/61/85/717156185.db2.gz WIHLVGZFKARCLL-KKMSDHIOSA-N 2 0 749.056 7.878 1 5 KKBFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000238745914 717162359 /nfs/dbraw/zinc/16/23/59/717162359.db2.gz QQJYBIOINVHLKO-ZWXJPIIXSA-O 2 0 683.822 6.636 1 5 KKBFRP CC[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@+]3(C)CCCC[C@H]3CC)ccc1-2 ZINC000253694635 717167894 /nfs/dbraw/zinc/16/78/94/717167894.db2.gz UXGPPDHCFWEFPK-BTPOYRCQSA-P 2 0 574.810 6.373 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000261147793 717179201 /nfs/dbraw/zinc/17/92/01/717179201.db2.gz OFVCLEVYGVDROK-LLIMXKFASA-N 2 0 572.793 6.831 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O ZINC000025985114 561764154 /nfs/dbraw/zinc/76/41/54/561764154.db2.gz QPIAZTAFPPGCSB-UHFFFAOYSA-N 2 0 632.890 5.961 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O ZINC000025986380 561764252 /nfs/dbraw/zinc/76/42/52/561764252.db2.gz USJMGKAPZJFWKU-UHFFFAOYSA-N 2 0 618.863 5.653 1 5 KKBFRP O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc2cc3ccc(NC(=O)CC[NH+]4CCC(Cc5ccccc5)CC4)cc3nc2c1 ZINC000026494733 561794106 /nfs/dbraw/zinc/79/41/06/561794106.db2.gz YODPLRICWXOARC-UHFFFAOYSA-N 2 0 667.898 7.955 1 5 KKBFRP C[NH+](C)CCNc1ccc(C(=O)NCCC[N@H+](C)CCCNC(=O)c2cc3nc4ccccc4cc3c(NCC[NH+](C)C)c2)c2nc3ccccc3cc12 ZINC000026834679 561823867 /nfs/dbraw/zinc/82/38/67/561823867.db2.gz OTZYHBJEYNGGBZ-UHFFFAOYSA-N 3 0 727.958 5.908 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCC[N+](C)(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027202616 561845495 /nfs/dbraw/zinc/84/54/95/561845495.db2.gz IEWMHZPNNRJVRZ-RUZDIDTESA-O 2 0 525.632 6.544 1 5 KKBFRP O=C1c2cccc3cc4c(cccc4[N+](=O)[O-])c(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3cc4c(cccc4[N+](=O)[O-])c(c32)C1=O ZINC000027522482 561864522 /nfs/dbraw/zinc/86/45/22/561864522.db2.gz RNZVRHNAKOOCKU-UHFFFAOYSA-N 2 0 710.703 5.577 1 5 KKBFRP CCC[NH2+]CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027642461 561875443 /nfs/dbraw/zinc/87/54/43/561875443.db2.gz QOKSCOFRXOKHCO-JJNGWGCYSA-N 2 0 530.503 7.471 1 5 KKBFRP CC(C)[NH2+]CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027645315 561875663 /nfs/dbraw/zinc/87/56/63/561875663.db2.gz DPXZEFDMDLWUNF-JJNGWGCYSA-N 2 0 530.503 7.470 1 5 KKBFRP C[C@@H](C[NH+](C)C)/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027647322 561875935 /nfs/dbraw/zinc/87/59/35/561875935.db2.gz BCUQEIYALMYPBQ-DOCXRBACSA-N 2 0 516.476 7.032 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 ZINC000029207200 562005321 /nfs/dbraw/zinc/00/53/21/562005321.db2.gz ICRGOSHVMLLJOQ-XXMFJUJNSA-N 2 0 696.980 8.788 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1 ZINC000029209519 562005536 /nfs/dbraw/zinc/00/55/36/562005536.db2.gz UHJYENFJYMCEKQ-ZRKBJOGQSA-P 2 0 702.988 7.377 1 5 KKBFRP CC[N+]1(CC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3cccc(OC(C)C)c3)C2)CCC2(CC1)[NH2+]CCc1ccccc12 ZINC000029325528 562013390 /nfs/dbraw/zinc/01/33/90/562013390.db2.gz FLCSEULUIZGXOW-JRCYCQMLSA-N 2 0 663.754 7.945 1 5 KKBFRP C[NH+](C)CCN1C(=O)c2c3c4c[nH+]ccc4[nH]c3c3[nH]c4ccc(OCc5ccccc5)cc4c3c2C1=O ZINC000040972556 562086927 /nfs/dbraw/zinc/08/69/27/562086927.db2.gz KFRTVQSSDRQZOQ-UHFFFAOYSA-N 2 0 503.562 5.087 1 5 KKBFRP CCc1c2[nH]c(c1C)C=c1ccc([nH]1)=C(c1ccccc1)C1=[NH+]C(=Cc3[nH]c(c(CC)c3C)C=C3[NH2+]C(=C2)C(CC)=C3CC)C=C1 ZINC000058678177 562701547 /nfs/dbraw/zinc/70/15/47/562701547.db2.gz CSCLPPWUZDVEHY-UHFFFAOYSA-N 2 0 605.830 10.942 1 5 KKBFRP COc1ccc2[nH]c3c(c2c1)c(C)c1c(cc[nH+]c1NCCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2[nH]c4ccccc4c(=O)c12)c3C ZINC000082181737 562741914 /nfs/dbraw/zinc/74/19/14/562741914.db2.gz LFFKRZHEMULXRM-UHFFFAOYSA-N 2 0 657.775 7.634 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3ccc(NCC[NH+]4CCC(C5CC[NH+](CCNc6ccc7ccc8c(c9cc(OC)ccc9n8C)c7c6)CC5)CC4)cc13)n2C ZINC000095540027 562755494 /nfs/dbraw/zinc/75/54/94/562755494.db2.gz DTTWALHCJMTKOL-UHFFFAOYSA-N 2 0 773.038 10.248 1 5 KKBFRP O=c1c2ccc3c4ccc5c(=O)n(CCOCC[NH+]6CCCCC6)c(=O)c6cc(N7CCCCC7)c(c7ccc(c(=O)n1CCOCC[NH+]1CCCCC1)c2c37)c4c56 ZINC000095547365 562758716 /nfs/dbraw/zinc/75/87/16/562758716.db2.gz KGZRBXCLONSIDZ-UHFFFAOYSA-N 2 0 783.970 5.958 1 5 KKBFRP CC1(C)c2cc(Cl)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Br)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Cl)cc2C1(C)C ZINC000095558510 562762485 /nfs/dbraw/zinc/76/24/85/562762485.db2.gz KWWPGNSHDJNODL-UHFFFAOYSA-N 3 0 703.661 9.079 1 5 KKBFRP C[NH+](C)CCCNc1ccc2[nH+]c(-c3c4ccccc4cc4ccccc43)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000095561654 562763478 /nfs/dbraw/zinc/76/34/78/562763478.db2.gz VUAQTRAOZYCRAU-UHFFFAOYSA-N 2 0 521.753 8.298 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000095613318 562786200 /nfs/dbraw/zinc/78/62/00/562786200.db2.gz NREREUAMJGGNIM-GAUQSRBSSA-N 2 0 802.878 8.907 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncc1[N+](=O)[O-])Cc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000096926849 562802387 /nfs/dbraw/zinc/80/23/87/562802387.db2.gz JZFINSLSKRVUBY-UHFFFAOYSA-N 2 0 629.093 5.427 1 5 KKBFRP CC[C@H]1C2=Cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)=C4C3=[NH+]C(=Cc4[nH]c(c(C(C)=O)c4C)C=C([NH2+]2)[C@@H]1C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000150600387 562847141 /nfs/dbraw/zinc/84/71/41/562847141.db2.gz IPYJFZCXFJSRIC-GPRYNTFPSA-N 2 0 624.738 6.725 1 5 KKBFRP OC/C=C1/C[N@+]2([C@@H]3C=CCCC3)CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N@@+]6([C@@H]7C=CCCC7)CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@@H]56)N(c2ccccc2)[C@@H]13 ZINC000253632943 562882027 /nfs/dbraw/zinc/88/20/27/562882027.db2.gz JMUQZICSXGDWKN-GPWHBNHHSA-N 2 0 749.056 7.782 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299839962 562888364 /nfs/dbraw/zinc/88/83/64/562888364.db2.gz UESKUWXHNZXCQX-JLLHUNCQSA-N 2 0 513.689 7.039 1 5 KKBFRP COc1ccc2nc3c(c2c1)c1cn(CC[NH+]2CCC(C4CC[NH+](CCn5ccc6cc(C[NH3+])c7nc8ccc(OC)cc8c7c6c5)CC4)CC2)ccc1cc3C[NH3+] ZINC000377819959 562896101 /nfs/dbraw/zinc/89/61/01/562896101.db2.gz JUWLRLLRDIKKFA-UHFFFAOYSA-N 4 0 775.014 8.058 1 5 KKBFRP CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113178 562898768 /nfs/dbraw/zinc/89/87/68/562898768.db2.gz HTSMDVRAOTZYSQ-MVRBIKRMSA-N 2 0 726.919 7.263 1 5 KKBFRP CC1(C)CCc2c([nH+]c3ccc([N+](=O)[O-])cc3c2NCCCCCCNc2c3cc([N+](=O)[O-])ccc3[nH+]c3c2CCC(C)(C)C3)C1 ZINC000653913884 562917734 /nfs/dbraw/zinc/91/77/34/562917734.db2.gz NWHVISHKJDZAHR-UHFFFAOYSA-N 2 0 624.786 7.557 1 5 KKBFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000070454674 565120194 /nfs/dbraw/zinc/12/01/94/565120194.db2.gz KZQOMXKLASFQRY-CONSDPRKSA-N 2 0 637.797 7.307 1 5 biogenic,in-vitro KKBFRP CC[C@@H]1CCCC[N+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+]3(C)CCCC[C@@H]3CC)ccc1-2 ZINC000026637005 717114280 /nfs/dbraw/zinc/11/42/80/717114280.db2.gz UXGPPDHCFWEFPK-SCAUKORFSA-P 2 0 574.810 6.373 1 5 KKBFRP C[N+]1(C)C=Cc2cc3c(c4c5c6c(ccc5c(-c5c7ccc8c(c7c7c9c(cc%10c7c5[N+](C)(C)C=C%10)OCO9)OCO8)c1c24)OCO6)OCO3 ZINC000085932685 717137458 /nfs/dbraw/zinc/13/74/58/717137458.db2.gz MCICDJXPRJHXNQ-UHFFFAOYSA-N 2 0 666.686 7.984 1 5 KKBFRP C/C=C/C[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253656770 717167169 /nfs/dbraw/zinc/16/71/69/717167169.db2.gz YJZAFOHWUCTBKL-ZAXVNDHZSA-N 2 0 696.980 6.813 1 5 KKBFRP c1ccc(C[N@@+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N(c2ccccc2)[C@@H]2[C@H]4CC[N@+]5(Cc7ccccc7)CC7=CCO[C@@H]6[C@@H]2[C@H]7C[C@@H]45)C3)cc1 ZINC000261153808 717179185 /nfs/dbraw/zinc/17/91/85/717179185.db2.gz PMDWRQSBVADLQY-XLMHAPCZSA-N 2 0 769.046 8.061 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000019685792 561758541 /nfs/dbraw/zinc/75/85/41/561758541.db2.gz XVIXARVAOCTOLU-LEPUAGDTSA-N 2 0 610.711 5.793 3 5 in-vivo KKBFRP Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c43)C1=O)C2=O ZINC000025991222 561764675 /nfs/dbraw/zinc/76/46/75/561764675.db2.gz BVZZOBOLVOSDSA-UHFFFAOYSA-N 2 0 640.869 6.170 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000026189040 561773221 /nfs/dbraw/zinc/77/32/21/561773221.db2.gz YTYFONCKNDOXFI-AJSFTGFASA-N 2 0 646.609 5.769 1 5 in-vivo KKBFRP CO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC ZINC000026283225 561779403 /nfs/dbraw/zinc/77/94/03/561779403.db2.gz HDNZNYXLRFEGAS-KKLWWLSJSA-N 2 0 580.814 5.082 1 5 KKBFRP Cc1cc(OCC[NH+](C(C)C)C(C)C)c2cc3c(OCC[NH+](C(C)C)C(C)C)cc(C)nc3c(C)c2n1 ZINC000027324281 561853241 /nfs/dbraw/zinc/85/32/41/561853241.db2.gz CSGMPXBSJRCIMJ-UHFFFAOYSA-N 2 0 508.751 6.703 1 5 KKBFRP C[C@H]1CCCC[N@@H+]1CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636740 561874634 /nfs/dbraw/zinc/87/46/34/561874634.db2.gz USQYTSWMROVFKA-CORWFZGBSA-N 2 0 570.568 8.346 1 5 KKBFRP CC[NH+](CC)CCC[C@H](C)/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027645693 561875799 /nfs/dbraw/zinc/87/57/99/561875799.db2.gz LQLJAOGIPMPZKH-BMQFNAPDSA-N 2 0 503.694 7.285 1 5 KKBFRP CC[N@@H+]1CCC[C@H]1C/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027651163 561876527 /nfs/dbraw/zinc/87/65/27/561876527.db2.gz GBCQDORNAXALLH-JHGGYZDPSA-N 2 0 542.514 7.566 1 5 KKBFRP O=[N+]([O-])c1ccc(C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000027899069 561890654 /nfs/dbraw/zinc/89/06/54/561890654.db2.gz AGZMQFHXEWQEDZ-UHFFFAOYSA-N 4 0 612.860 7.023 1 5 KKBFRP CCCC[N+](C)(CCCC)CCCn1c(=O)c2ccc3c(=O)n(CCC[N+](C)(CCCC)CCCC)c(=O)c4ccc(c1=O)c2c34 ZINC000028816933 561964432 /nfs/dbraw/zinc/96/44/32/561964432.db2.gz KFPQMHLJSXENIY-UHFFFAOYSA-N 2 0 634.906 5.939 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cc(N)cc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820413 561966037 /nfs/dbraw/zinc/96/60/37/561966037.db2.gz ZIUDMKTYCFXBJP-UHFFFAOYSA-N 2 0 641.857 5.444 1 5 KKBFRP CC[NH+](CC)CCCCCOc1ccc2c(c1)oc1cc(OCCCCC[NH+](CC)CC)ccc1c2=O ZINC000029133887 562003820 /nfs/dbraw/zinc/00/38/20/562003820.db2.gz NFFSEKFKZVVLGE-UHFFFAOYSA-N 2 0 510.719 6.728 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCCOC(=O)C1C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000029306673 562011710 /nfs/dbraw/zinc/01/17/10/562011710.db2.gz JLRNPSMEKJAHJA-VABSMRTLSA-N 2 0 732.743 6.955 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC ZINC000029341035 562015244 /nfs/dbraw/zinc/01/52/44/562015244.db2.gz YSPOTMDNGADFCJ-ZWEIEUJTSA-N 2 0 609.723 6.858 1 5 KKBFRP CC[NH+](CC)Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@@H]2CCCC[NH2+]2)c1 ZINC000029411641 562021940 /nfs/dbraw/zinc/02/19/40/562021940.db2.gz XEUJVNWKYKXWBP-NRFANRHFSA-N 2 0 527.065 6.230 1 5 KKBFRP C[N+](C)(CCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049785704 562684098 /nfs/dbraw/zinc/68/40/98/562684098.db2.gz HXGZCNGINRABAT-UHFFFAOYSA-N 2 0 733.010 8.719 1 5 KKBFRP CC[NH+](CC)CCOc1c2c(nc3cc(Cl)ccc31)c1cc(Cl)ccc1n2CC[NH+](CC)CC ZINC000064539441 562707517 /nfs/dbraw/zinc/70/75/17/562707517.db2.gz NFLBOQQSMVRLTN-UHFFFAOYSA-N 2 0 501.502 6.712 1 5 KKBFRP O=C1c2c(c3ccccc3c3ccccc23)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2c(c3ccccc3c3ccccc23)C1=O ZINC000072113352 562722308 /nfs/dbraw/zinc/72/23/08/562722308.db2.gz LYQSAUKMBITSJQ-UHFFFAOYSA-N 2 0 620.709 5.761 1 5 KKBFRP O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCC[NH2+]C[C@@H](O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 ZINC000072121210 562724163 /nfs/dbraw/zinc/72/41/63/562724163.db2.gz OEMAFJPJPSVKLB-XJTURVMTSA-O 2 0 667.871 7.112 1 5 KKBFRP O=C1c2cccc3cccc(c32)C(=O)N1CCCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095543493 562757295 /nfs/dbraw/zinc/75/72/95/562757295.db2.gz BNBFAURKDQRVMX-SFQGPEBKSA-N 2 0 808.814 9.319 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095563776 562764080 /nfs/dbraw/zinc/76/40/80/562764080.db2.gz OIOVNLJLQWBTMZ-RYWJELEGSA-N 2 0 502.784 5.025 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cnc([N+](=O)[O-])c1)Cc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000096926842 562802370 /nfs/dbraw/zinc/80/23/70/562802370.db2.gz RQBUKIMOZOOXFE-UHFFFAOYSA-N 2 0 663.538 6.080 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cnc([N+](=O)[O-])c1)Cc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000096926844 562802397 /nfs/dbraw/zinc/80/23/97/562802397.db2.gz JQZORGJKJKJHPO-UHFFFAOYSA-N 2 0 629.093 5.427 1 5 KKBFRP CC1(C)c2c(ccc3ccccc23)[N+](CCC[N+](C)(C)C)=C1/C=C/C(Cl)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc3ccccc3c2C1(C)C ZINC000150524967 562843745 /nfs/dbraw/zinc/84/37/45/562843745.db2.gz PLGYJPBEBJHKDV-UHFFFAOYSA-N 3 0 690.440 9.922 1 5 KKBFRP CC[NH+](CC)CCC[C@H](C)Nc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+]4CCCC4)c3cc21 ZINC000299867271 562894860 /nfs/dbraw/zinc/89/48/60/562894860.db2.gz QBIHPELGIBUVTI-NRFANRHFSA-N 2 0 540.583 7.668 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CCC[NH+]5CCC(C6CC[NH+](CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377364992 562895870 /nfs/dbraw/zinc/89/58/70/562895870.db2.gz UIEBPKHLRHVRNW-UHFFFAOYSA-N 2 0 730.957 9.530 1 5 KKBFRP Cn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1cccc(OCCCCCCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=[NH2+])cc-4n3C)c2)c1 ZINC000377805975 562895983 /nfs/dbraw/zinc/89/59/83/562895983.db2.gz ZLUAJGGGDMIJCY-UHFFFAOYSA-N 2 0 726.925 9.745 1 5 KKBFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000085530743 565135973 /nfs/dbraw/zinc/13/59/73/565135973.db2.gz VCYHETOWRGYJEE-CONSDPRKSA-N 2 0 637.797 7.307 1 5 biogenic,in-vitro KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000049792795 717130269 /nfs/dbraw/zinc/13/02/69/717130269.db2.gz GSNBFVUNURCXIQ-BATTYCEJSA-N 2 0 586.820 7.221 1 5 KKBFRP COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N+](C)(C)[C@@H]4C2)CC[N+]1(C)C ZINC000085838790 717137440 /nfs/dbraw/zinc/13/74/40/717137440.db2.gz CAKZYCHSLAJXSM-ZWXJPIIXSA-O 2 0 652.832 7.032 1 5 KKBFRP C/C=C/C[N@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253656764 717167134 /nfs/dbraw/zinc/16/71/34/717167134.db2.gz YJZAFOHWUCTBKL-WGNBPPKXSA-N 2 0 696.980 6.813 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@](C(=O)O[C@@H]3C[C@H]4CC[C@@H](C3)[N@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000253951832 717169055 /nfs/dbraw/zinc/16/90/55/717169055.db2.gz LIIILPIXOYWUHW-DDQFPQENSA-N 2 0 600.844 6.256 3 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@@](C(=O)O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000254043382 717169330 /nfs/dbraw/zinc/16/93/30/717169330.db2.gz LIIILPIXOYWUHW-QVAREQBFSA-N 2 0 600.844 6.256 1 5 KKBFRP c1ccc(C[N@@+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N@+]6(Cc7ccccc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1 ZINC000261153801 717179071 /nfs/dbraw/zinc/17/90/71/717179071.db2.gz PMDWRQSBVADLQY-GMXHJGIBSA-N 2 0 769.046 8.061 1 5 KKBFRP Cc1ccc(S(=O)(=O)N(CCCCC[NH2+]CCCC[NH3+])Cc2c3ccccc3cc3ccccc32)cc1 ZINC000013522130 561717170 /nfs/dbraw/zinc/71/71/70/561717170.db2.gz HGWZBUDJTRFVIM-UHFFFAOYSA-N 2 0 517.739 5.991 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000025986918 561764247 /nfs/dbraw/zinc/76/42/47/561764247.db2.gz FVODIWLVMJQBHY-UHFFFAOYSA-N 2 0 598.788 5.225 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c43)C1=O)C2=O ZINC000025991176 561764667 /nfs/dbraw/zinc/76/46/67/561764667.db2.gz ZXQVQYUVDBPBBV-UHFFFAOYSA-N 2 0 668.923 6.806 1 5 KKBFRP CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O ZINC000025990912 561764716 /nfs/dbraw/zinc/76/47/16/561764716.db2.gz AZLPDPYYQLWAOE-UHFFFAOYSA-N 2 0 604.836 5.344 1 5 KKBFRP CC(C)S[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1SC(C)C ZINC000026252515 561774345 /nfs/dbraw/zinc/77/43/45/561774345.db2.gz RHOPQBSQHLIFIT-UWXQCODUSA-N 2 0 669.058 8.072 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1Cc1ccccc1)CCCN1C(=O)c2ccccc2[C@@H]1Cc1ccccc1 ZINC000026272776 561777451 /nfs/dbraw/zinc/77/74/51/561777451.db2.gz FOISSSBONMABSW-CXNSMIOJSA-N 2 0 701.012 8.359 1 5 KKBFRP CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCC[NH3+])N1 ZINC000026727268 561816150 /nfs/dbraw/zinc/81/61/50/561816150.db2.gz LWIMUFCQSSEBRN-UUWRZZSWSA-N 2 0 650.824 5.012 1 5 KKBFRP C[C@H](C[NH+](C)C)/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027647325 561875908 /nfs/dbraw/zinc/87/59/08/561875908.db2.gz BCUQEIYALMYPBQ-JUUFOKNVSA-N 2 0 516.476 7.032 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CCN2CC[NH2+]CC2)cc1 ZINC000027653184 561876961 /nfs/dbraw/zinc/87/69/61/561876961.db2.gz ITGAQDCMFZDWNZ-JJNGWGCYSA-N 2 0 543.502 5.987 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3c[n+](CCN4CCC(C5CCN(CC[n+]6ccc7c8c9cc(OC)ccc9n(C)c8ccc7c6)CC5)CC4)ccc13)n2C ZINC000028764766 561959277 /nfs/dbraw/zinc/95/92/77/561959277.db2.gz SMJXWOBBYOBJST-UHFFFAOYSA-N 2 0 747.000 7.999 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820420 561966030 /nfs/dbraw/zinc/96/60/30/561966030.db2.gz AOLOQOBCKZFNEE-UHFFFAOYSA-N 2 0 671.839 5.770 1 5 KKBFRP C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042808 561991617 /nfs/dbraw/zinc/99/16/17/561991617.db2.gz WTUBKMQVMZSQAC-UHFFFAOYSA-N 2 0 580.857 6.962 1 5 KKBFRP CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]3(C)CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029333273 562014141 /nfs/dbraw/zinc/01/41/41/562014141.db2.gz DPFGASYZVYNHMO-NOUICNGKSA-N 2 0 649.727 7.555 1 5 KKBFRP CC[NH+](CC)CCOc1ccc2cc3cc([N+](=O)[O-])c(OCC[NH+](CC)CC)c(Cl)c3nc2c1Cl ZINC000029417046 562023112 /nfs/dbraw/zinc/02/31/12/562023112.db2.gz AJPHNBYMFUVKJX-UHFFFAOYSA-N 2 0 523.461 6.044 1 5 KKBFRP O=C(CC[NH+]1CCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CC[NH+]6CCCC6)cc5)c4[nH]c23)cc1 ZINC000049680128 562669118 /nfs/dbraw/zinc/66/91/18/562669118.db2.gz BALRELTVFZEPNR-UHFFFAOYSA-N 2 0 713.839 6.035 1 5 KKBFRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NC(=O)CC[NH+]6CCCCC6)cc5)c4[nH]c23)cc1 ZINC000049694409 562669326 /nfs/dbraw/zinc/66/93/26/562669326.db2.gz DBVWDYDIKBHSOF-UHFFFAOYSA-N 2 0 741.893 6.815 1 5 KKBFRP C[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000049889052 562691746 /nfs/dbraw/zinc/69/17/46/562691746.db2.gz ZQUORQIOPZJUIM-UHFFFAOYSA-N 2 0 622.821 7.032 1 5 KKBFRP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@H]4C)cc3nc2c1 ZINC000058649859 562701296 /nfs/dbraw/zinc/70/12/96/562701296.db2.gz AFTOIBDEHJTNKF-DHIUTWEWSA-N 2 0 515.702 5.794 1 5 in-vitro KKBFRP Cc1cc(NCCC[NH+]2CCCCC2)c2ccc3c(ccc4c(NCCC[NH+]5CCCCC5)cc(C)nc43)c2n1 ZINC000071295016 562717104 /nfs/dbraw/zinc/71/71/04/562717104.db2.gz LGHDDEGBKDPJIX-UHFFFAOYSA-N 2 0 538.784 7.129 1 5 KKBFRP COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1cccc(c1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000084670007 562748172 /nfs/dbraw/zinc/74/81/72/562748172.db2.gz IPWRXGBZCQPSDW-AJQTZOPKSA-N 2 0 652.832 7.452 1 5 KKBFRP COc1ccccc1C[NH2+]CCCCCCCCn1c(=O)c2ccc3c(=O)n(CCCCCCCC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34 ZINC000095536891 562754261 /nfs/dbraw/zinc/75/42/61/562754261.db2.gz KAWJOXWEUMTRED-UHFFFAOYSA-N 2 0 760.976 7.344 1 5 KKBFRP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938537 562804523 /nfs/dbraw/zinc/80/45/23/562804523.db2.gz ORXVQDVWWYFAIN-UHFFFAOYSA-N 2 0 517.552 5.558 1 5 KKBFRP O=C(CC[NH+]1CCCCC1)n1c2ccccc2sc2ccc(Cl)cc2n1C(=O)CC[NH+]1CCCCC1 ZINC000139718566 562832742 /nfs/dbraw/zinc/83/27/42/562832742.db2.gz SXNRIIWYGZDKOQ-UHFFFAOYSA-N 2 0 527.134 6.468 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000150346779 562843206 /nfs/dbraw/zinc/84/32/06/562843206.db2.gz RZJSTKKJVDYIOA-CLGSJTDVSA-N 2 0 774.824 8.126 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000150346762 562843208 /nfs/dbraw/zinc/84/32/08/562843208.db2.gz NREREUAMJGGNIM-VRWGAYGOSA-N 2 0 802.878 8.907 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000150346768 562843209 /nfs/dbraw/zinc/84/32/09/562843209.db2.gz FBMLVNDXALQUNW-PYUATRCESA-N 2 0 746.770 7.346 1 5 KKBFRP Nc1ccc2c3ccc(=[NH2+])cc-3n(CCCCCCc3cn(CCNc4c5ccccc5[nH+]c5c4CCCC5)nn3)c(-c3ccccc3)c2c1 ZINC000169727434 562871365 /nfs/dbraw/zinc/87/13/65/562871365.db2.gz NAARZDJZGYBXKL-UHFFFAOYSA-N 2 0 660.870 8.408 1 5 in-vivo KKBFRP COc1c(OCCCC[NH+]2CCSCC2)cc2oc3cc(OCCCC[NH+]4CCSCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000206918018 562876596 /nfs/dbraw/zinc/87/65/96/562876596.db2.gz DLBVQMSIYMGVAZ-UHFFFAOYSA-N 2 0 725.030 8.093 1 5 KKBFRP C[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@+]3(C)CCCC[C@H]3C)ccc1-2 ZINC000253635807 562882262 /nfs/dbraw/zinc/88/22/62/562882262.db2.gz CXZOGLKSWHZXDY-TYSPFHLRSA-P 2 0 546.756 5.593 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CCCCCCC23CCCC[NH+]2CCCC3)cc1 ZINC000299824904 562883431 /nfs/dbraw/zinc/88/34/31/562883431.db2.gz FAEDIFWTJXLJRY-UQQUJRAVSA-N 2 0 583.824 9.134 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]/CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299828122 562884335 /nfs/dbraw/zinc/88/43/35/562884335.db2.gz GXEWQRAKFSZMRC-QTNBRDDOSA-N 2 0 596.606 8.736 1 5 KKBFRP COC(=O)c1cc2c3ccccc3n(Cc3cc(OC)c(OC)c(OC)c3)c2c2cn(-c3ccc(Cl)cc3)c[n+]21 ZINC000299844758 562889378 /nfs/dbraw/zinc/88/93/78/562889378.db2.gz YGUINDRBVDZGRU-UHFFFAOYSA-N 2 0 557.026 5.838 1 5 KKBFRP COc1ccc2nc3c(c2c1)c1cn(CC[NH+]2CCC(C4CC[NH+](CCn5ccc6cc(C)c7nc8ccc(OC)cc8c7c6c5)CC4)CC2)ccc1cc3C ZINC000377829963 562896212 /nfs/dbraw/zinc/89/62/12/562896212.db2.gz LWPNFWSXVQKVMM-UHFFFAOYSA-N 2 0 744.984 9.757 1 5 KKBFRP CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC1 ZINC000473116731 562899203 /nfs/dbraw/zinc/89/92/03/562899203.db2.gz XRMMDZSSROXOHT-YWPUXERESA-N 2 0 706.929 7.123 1 5 KKBFRP CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169488105 717156516 /nfs/dbraw/zinc/15/65/16/717156516.db2.gz GVEAYVLWDAFXET-VFXNOVFISA-N 2 0 572.875 6.111 1 5 KKBFRP CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169446784 717156522 /nfs/dbraw/zinc/15/65/22/717156522.db2.gz BGSZAXLLHYERSY-ANJNXOACSA-N 2 0 557.840 5.966 1 5 KKBFRP C[C@@H]1CCCC[N+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+]3(C)CCCC[C@@H]3C)ccc1-2 ZINC000026579861 717114099 /nfs/dbraw/zinc/11/40/99/717114099.db2.gz CXZOGLKSWHZXDY-PUJSVYCESA-P 2 0 546.756 5.593 1 5 KKBFRP C[n+]1cc(Br)cc2sc(/C=C3/C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=C/C(=C/c5nc6c(cc(Br)c[n+]6C)s5)c5ccccc54)c4ccccc43)nc21 ZINC000150344772 717153860 /nfs/dbraw/zinc/15/38/60/717153860.db2.gz GWVCJXATUHGZNE-UHFFFAOYSA-N 4 0 954.947 9.852 1 5 in-vitro KKBFRP c1ccc(N2[C@@H]3[C@H]4CC[N@+]5([C@H]6C=CCCC6)CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N@@+]6([C@@H]7C=CCCC7)CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@@H]56)cc1 ZINC000253656651 717167147 /nfs/dbraw/zinc/16/71/47/717167147.db2.gz WIHLVGZFKARCLL-HPPPXJSOSA-N 2 0 749.056 7.878 1 5 KKBFRP c1ccc(C[N@+]23CC[C@H]4[C@@H]2C[C@H]2C(=CCO[C@@H]5[C@H]2[C@@H]4N(c2ccccc2)[C@@H]2OCC=C4C[N@@+]6(Cc7ccccc7)CC[C@]78c9ccccc9N5[C@H]7[C@H]2[C@H]4C[C@@H]86)C3)cc1 ZINC000261153811 717179142 /nfs/dbraw/zinc/17/91/42/717179142.db2.gz PMDWRQSBVADLQY-YJDXOKOJSA-N 2 0 769.046 8.061 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000299872495 717181773 /nfs/dbraw/zinc/18/17/73/717181773.db2.gz BGSZAXLLHYERSY-YCSOTCIGSA-N 2 0 557.840 5.966 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc[n+](CC[NH+]4CCC(C5CC[NH+](CC[n+]6ccc7ccc8c(c9cc(OC)ccc9n8C)c7c6)CC5)CC4)cc13)n2C ZINC000025979269 561763697 /nfs/dbraw/zinc/76/36/97/561763697.db2.gz XBZAHUFBLFQQSC-UHFFFAOYSA-N 4 0 747.000 7.999 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cccc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000025991042 561764747 /nfs/dbraw/zinc/76/47/47/561764747.db2.gz HXRWZSLAISRLOQ-UHFFFAOYSA-N 2 0 676.902 7.015 1 5 KKBFRP CCO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OCC ZINC000026252559 561774417 /nfs/dbraw/zinc/77/44/17/561774417.db2.gz DBSCEDCAWDDZPW-LQFQNGICSA-N 2 0 608.868 5.862 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000026271954 561777314 /nfs/dbraw/zinc/77/73/14/561777314.db2.gz OLZWEMQIYGIGSG-COCZKOEFSA-N 2 0 672.958 7.971 1 5 KKBFRP CC(C)O[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC(C)C ZINC000026273983 561777788 /nfs/dbraw/zinc/77/77/88/561777788.db2.gz CSNFZDMXWPEAMV-XPSQVAKYSA-N 2 0 636.922 6.639 1 5 KKBFRP CC1CC[N+](C)(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCC(C)CC4)ccc2-3)CC1 ZINC000026579860 561805170 /nfs/dbraw/zinc/80/51/70/561805170.db2.gz ZYOATRUUDGVMLS-UHFFFAOYSA-P 2 0 546.756 5.308 1 5 KKBFRP C[NH+](C)CCNc1ccc(C(=O)NCC[N@H+](C)CCNC(=O)c2cc3nc4ccccc4cc3c(NCC[NH+](C)C)c2)c2nc3ccccc3cc12 ZINC000026834626 561823861 /nfs/dbraw/zinc/82/38/61/561823861.db2.gz DHMIZLJFUXIUTP-UHFFFAOYSA-N 3 0 699.904 5.128 1 5 KKBFRP C[NH2+]CCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027642754 561875512 /nfs/dbraw/zinc/87/55/12/561875512.db2.gz FEYPREXMMYPWIS-FEZSWGLMSA-N 2 0 502.449 6.691 1 5 KKBFRP O[C@H](C[NH2+]C1CCCCC1)COc1ccc(C(c2ccc(OC[C@H](O)C[NH2+]C3CCCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1 ZINC000028529182 561933698 /nfs/dbraw/zinc/93/36/98/561933698.db2.gz JOALWWNFUFOTTQ-XPSQVAKYSA-N 2 0 686.937 8.497 1 5 KKBFRP CC[N+]1(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)Cc3cccc(OC(C)C)c3)C2)CCC2(CC1)[NH2+]CCc1ccccc12 ZINC000029325523 562013331 /nfs/dbraw/zinc/01/33/31/562013331.db2.gz FLCSEULUIZGXOW-LUOMUOLQSA-N 2 0 663.754 7.945 1 5 KKBFRP CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2nc3ccc(OC)cc3c(NCCC[NH+](CC)CC)c12 ZINC000031852787 562036409 /nfs/dbraw/zinc/03/64/09/562036409.db2.gz JRFJTWWJMLKUNV-UHFFFAOYSA-N 2 0 510.683 5.014 1 5 KKBFRP COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cccc(c1O)C[C@H]3[N+](C)(C)CC2 ZINC000036079937 562046158 /nfs/dbraw/zinc/04/61/58/562046158.db2.gz UGVZQONVYMSONW-URLMMPGGSA-O 2 0 609.743 6.701 1 5 KKBFRP C[N+](C)(CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049783817 562683235 /nfs/dbraw/zinc/68/32/35/562683235.db2.gz CWCLKFGIPSIBGF-UHFFFAOYSA-N 2 0 606.767 5.208 1 5 KKBFRP C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000049889170 562691852 /nfs/dbraw/zinc/69/18/52/562691852.db2.gz OWWDZRJCQISTSQ-NOWQQFBNSA-N 2 0 677.846 5.680 1 5 KKBFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[N@H+]3CCCC[C@H]3CC)ccc1c2=O ZINC000058511359 562698409 /nfs/dbraw/zinc/69/84/09/562698409.db2.gz GJXFTFVATBYQAI-CLJLJLNGSA-N 2 0 559.755 5.868 1 5 KKBFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@H]4CC)cc3nc2c1 ZINC000058649857 562701271 /nfs/dbraw/zinc/70/12/71/562701271.db2.gz ZWPUGYBFVBXUSX-FQLXRVMXSA-N 2 0 543.756 6.574 1 5 in-vitro KKBFRP c1ccc2c(c1)c(NCCCC[NH+]1CCCCC1)cc1c3ccccc3c(NCCCC[NH+]3CCCCC3)cc21 ZINC000064415815 562705004 /nfs/dbraw/zinc/70/50/04/562705004.db2.gz SARVALDVDXJZEV-UHFFFAOYSA-N 2 0 536.808 8.502 1 5 KKBFRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 ZINC000072118926 562723707 /nfs/dbraw/zinc/72/37/07/562723707.db2.gz ADNFGSAOZGWBEK-SANMLTNESA-N 2 0 531.582 6.259 1 5 KKBFRP COc1ccc2[nH]c3cc(C)c4ccc(NCC[NH+]5CCC(C6CC[NH+](CCNc7ccc8c(C)cc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000095540041 562755471 /nfs/dbraw/zinc/75/54/71/562755471.db2.gz PWHIYKYERQDWRT-UHFFFAOYSA-N 2 0 773.038 10.844 1 5 KKBFRP C[NH+](C)CCCN1CCN(c2cc3c(=O)n(CC[NH+]4CCCCC4)c(=O)c4ccc5c6ccc7c(=O)n(CC[NH+]8CCCCC8)c(=O)c8ccc(c6c78)c2c5c43)CC1 ZINC000095547492 562758751 /nfs/dbraw/zinc/75/87/51/562758751.db2.gz SVWSKRFMTAFJLC-UHFFFAOYSA-N 3 0 782.002 5.009 1 5 KKBFRP CC1(C)c2ccccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Br)=C/C=C1/N(CCC[N+](C)(C)C)c2ccccc2C1(C)C ZINC000095559541 562762762 /nfs/dbraw/zinc/76/27/62/562762762.db2.gz BKJZDNOIHUGHMK-UHFFFAOYSA-N 3 0 634.771 7.772 1 5 KKBFRP CC1(C)c2ccccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Cl)=C/C=C1/N(CCC[N+](C)(C)C)c2ccccc2C1(C)C ZINC000095563765 562764081 /nfs/dbraw/zinc/76/40/81/562764081.db2.gz YRHNNYDZKKCHSR-UHFFFAOYSA-N 3 0 590.320 7.616 1 5 KKBFRP CC(C)C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(OC(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095577449 562770964 /nfs/dbraw/zinc/77/09/64/562770964.db2.gz LAKDCFFGKKKRHX-DMFHDPHMSA-N 2 0 586.662 7.189 1 5 KKBFRP C[NH+](C)CCn1[nH]c2c3c1ccc(C(=O)NCCC[NH+](C)CCCNC(=O)c1ccc4c5c([nH]n4CC[NH+](C)C)c4ccccc4nc51)c3nc1ccccc21 ZINC000095612490 562785560 /nfs/dbraw/zinc/78/55/60/562785560.db2.gz ZZJZHSITXLFMOZ-UHFFFAOYSA-N 3 0 753.956 5.650 1 5 KKBFRP COc1c(OCCCC[NH3+])cc2oc3cc(OCCCC[NH3+])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000148455214 562841371 /nfs/dbraw/zinc/84/13/71/562841371.db2.gz ATPAHISPXYQCQU-UHFFFAOYSA-N 2 0 552.712 5.913 1 5 KKBFRP [NH3+]C1CC[N+](Cc2ccccc2)(C(=O)[C@@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000150564020 562844954 /nfs/dbraw/zinc/84/49/54/562844954.db2.gz FVCBAAGJGGQNHN-UNUMGTSPSA-O 2 0 766.841 5.841 1 5 KKBFRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc3ccc4ccc(C(=O)Nc5ccc(OCC[NH+](C)C)cc5)nc4c3n2)cc1 ZINC000198477490 562872687 /nfs/dbraw/zinc/87/26/87/562872687.db2.gz JYBQCVOPWQFDEA-UHFFFAOYSA-N 2 0 592.700 5.168 1 5 KKBFRP C[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@+]3(C)CCCC[C@@H]3C)ccc1-2 ZINC000253635800 562882256 /nfs/dbraw/zinc/88/22/56/562882256.db2.gz CXZOGLKSWHZXDY-AGTGSPFFSA-P 2 0 546.756 5.593 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cccc(c32)C1=O)C[N+](C)(C)CCCCCC[N@@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000299832889 562886025 /nfs/dbraw/zinc/88/60/25/562886025.db2.gz UKDFFUWYVUWORH-XDPFUVIDSA-N 2 0 697.917 5.545 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CC[NH+]5CCC(C6CC[NH+](CCNc7c8ccc(Cl)cc8[nH+]c8ccc(OC)cc87)CC6)CC5)cc4c3c2c1 ZINC000377819947 562896102 /nfs/dbraw/zinc/89/61/02/562896102.db2.gz UBOLNHKMPONEDQ-UHFFFAOYSA-N 3 0 727.353 8.673 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103491 717169865 /nfs/dbraw/zinc/16/98/65/717169865.db2.gz SCZOPTBMQBAZQB-OVBCPKELSA-N 2 0 642.928 8.781 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000049784093 717130316 /nfs/dbraw/zinc/13/03/16/717130316.db2.gz IDKSCGSLZJPHGN-ZIPXTXIESA-N 2 0 614.874 8.001 1 5 KKBFRP C/C=C/C[N+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000095539897 717138779 /nfs/dbraw/zinc/13/87/79/717138779.db2.gz YJZAFOHWUCTBKL-XZAPGCHFSA-N 2 0 696.980 6.813 1 5 KKBFRP C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169356472 717156176 /nfs/dbraw/zinc/15/61/76/717156176.db2.gz OFVCLEVYGVDROK-JHIBKCPMSA-N 2 0 572.793 6.831 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000253777199 717168122 /nfs/dbraw/zinc/16/81/22/717168122.db2.gz GSNBFVUNURCXIQ-SZRGUQLDSA-N 2 0 586.820 7.221 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782547 717168226 /nfs/dbraw/zinc/16/82/26/717168226.db2.gz SMOUFAGGAGLPGE-MRWFHJSOSA-N 2 0 600.847 7.611 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253777161 717168359 /nfs/dbraw/zinc/16/83/59/717168359.db2.gz GSNBFVUNURCXIQ-BMGLKWEPSA-N 2 0 586.820 7.221 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111457 717179138 /nfs/dbraw/zinc/17/91/38/717179138.db2.gz IDKSCGSLZJPHGN-OWIHLRRYSA-N 2 0 614.874 8.001 1 5 KKBFRP CC[N+](C)(CC)CCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCCC[N+](C)(CC)CC)[C@H]1c1ccccc1 ZINC000261506585 717179603 /nfs/dbraw/zinc/17/96/03/717179603.db2.gz AXCRPLDEOCHBJD-TVLXLKRTSA-N 2 0 552.800 5.639 1 5 KKBFRP CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000299818696 717181027 /nfs/dbraw/zinc/18/10/27/717181027.db2.gz BGSZAXLLHYERSY-CCQRTUFTSA-N 2 0 557.840 5.966 1 5 KKBFRP O=C(CC[NH+]1CCCCCCC1)Nc1ccc2cc3ccc(NC(=O)CC[NH+]4CCCCCCC4)cc3nc2c1 ZINC000013557560 561718894 /nfs/dbraw/zinc/71/88/94/561718894.db2.gz KGEMXWJLGMFZFH-UHFFFAOYSA-N 2 0 543.756 6.577 1 5 KKBFRP CCO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OCC ZINC000026252543 561774350 /nfs/dbraw/zinc/77/43/50/561774350.db2.gz DBSCEDCAWDDZPW-ZPGRZCPFSA-N 2 0 608.868 5.862 1 5 KKBFRP CC(C)S[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1SC(C)C ZINC000026252522 561774384 /nfs/dbraw/zinc/77/43/84/561774384.db2.gz RHOPQBSQHLIFIT-MAZIBIHTSA-N 2 0 669.058 8.072 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCCCCCCCC[N+](C)(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027210933 561847229 /nfs/dbraw/zinc/84/72/29/561847229.db2.gz IKCOPTIVXBNSMS-MGBGTMOVSA-O 2 0 637.848 9.664 1 5 KKBFRP Cc1cccc2nc3cccc(C(=O)NCCC[NH2+]CCC[NH2+]CCCNC(=O)c4cccc5nc6cccc(C)c6nc54)c3nc12 ZINC000029208526 562005415 /nfs/dbraw/zinc/00/54/15/562005415.db2.gz NCZWRCCNHBYVFY-UHFFFAOYSA-N 2 0 628.781 5.006 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000029243057 562010384 /nfs/dbraw/zinc/01/03/84/562010384.db2.gz UXOKIKTXYVUMOP-UCPIEDCVSA-N 2 0 718.716 6.566 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)[C@@H](c2ccccc2)C2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000038357560 562070840 /nfs/dbraw/zinc/07/08/40/562070840.db2.gz TWNAUTMQNPBBFJ-XIUCIEDOSA-N 2 0 561.679 6.640 1 5 KKBFRP Cc1onc(-c2c3ccccc3cc3ccccc32)c1C(=O)Nc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1 ZINC000044305063 562653343 /nfs/dbraw/zinc/65/33/43/562653343.db2.gz VWXAERUCKVMGCA-UHFFFAOYSA-N 2 0 594.760 5.893 1 5 KKBFRP O=C(CC[NH+]1CCCC1)Nc1ccc2c(c1)cc1cc(NC(=O)CC[NH+]3CCCC3)ccc1c2-c1ccccc1 ZINC000045261083 562660048 /nfs/dbraw/zinc/66/00/48/562660048.db2.gz GZANZVGJDKAXSR-UHFFFAOYSA-N 2 0 534.704 6.509 1 5 KKBFRP C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049783924 562683327 /nfs/dbraw/zinc/68/33/27/562683327.db2.gz VTRPHMRAFGTDGI-UHFFFAOYSA-N 2 0 634.821 5.989 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc[n+](CC[NH+]4CCC(CCC5CC[NH+](CC[n+]6ccc7ccc8c(c9cc(OC)ccc9n8C)c7c6)CC5)CC4)cc13)n2C ZINC000095538125 562754506 /nfs/dbraw/zinc/75/45/06/562754506.db2.gz NEIFKVOBLWGNHL-UHFFFAOYSA-N 4 0 775.054 8.779 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000095538519 562754876 /nfs/dbraw/zinc/75/48/76/562754876.db2.gz QRPAYOCOCFWLKU-UHFFFAOYSA-N 2 0 794.950 7.467 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc(NCC[NH+]4CCC(C5CC[NH+](CCNc6ccc7c8c9cc(OC)ccc9n(C)c8ccc7c6)CC5)CC4)ccc13)n2C ZINC000095539915 562755390 /nfs/dbraw/zinc/75/53/90/562755390.db2.gz YRLYPPWLQZZZPM-UHFFFAOYSA-N 2 0 773.038 10.248 1 5 KKBFRP O=C1c2cccc3cccc(c32)C(=O)N1CCCCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095540691 562755918 /nfs/dbraw/zinc/75/59/18/562755918.db2.gz GGUBBHXGJBUOKD-MMCWGZQDSA-N 2 0 822.841 9.709 1 5 KKBFRP CC(C)C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095573418 562769695 /nfs/dbraw/zinc/76/96/95/562769695.db2.gz UUBKUPJIHSDBLJ-OZMGXUMRSA-N 2 0 537.111 6.943 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncc1[N+](=O)[O-])Cc1ccc(Cl)c(Cl)c1)CCc1cc2c(cc1-3)OCO2 ZINC000096926847 562802362 /nfs/dbraw/zinc/80/23/62/562802362.db2.gz ZRZPQMGKGISOMQ-UHFFFAOYSA-N 2 0 663.538 6.080 1 5 KKBFRP COc1c(OCCCC[NH+](C)C)cc2oc3cc(OCCCC[NH+](C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000148377798 562841195 /nfs/dbraw/zinc/84/11/95/562841195.db2.gz HHIOWPOGDFASSB-UHFFFAOYSA-N 2 0 608.820 7.119 1 5 KKBFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000161474442 562849177 /nfs/dbraw/zinc/84/91/77/562849177.db2.gz BWMIXNFPFRIESN-SAIUNTKASA-N 2 0 697.849 6.939 1 5 KKBFRP C[NH+](C)CCN1CCN(C2=[NH+]c3ccccc3[C@H](CC(=O)NCc3ccc([N+](=O)[O-])cc3)N2c2ccc(-c3ccccc3)cc2)CC1 ZINC000169307074 562853696 /nfs/dbraw/zinc/85/36/96/562853696.db2.gz YAVYWHOJVLHGMF-DHUJRADRSA-N 2 0 631.781 5.696 1 5 KKBFRP OC/C=C1/C[N@+]2([C@@H]3C=CCCC3)CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N@@+]6([C@H]7C=CCCC7)CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@@H]56)N(c2ccccc2)[C@@H]13 ZINC000253632945 562882040 /nfs/dbraw/zinc/88/20/40/562882040.db2.gz JMUQZICSXGDWKN-RJFHJBIRSA-N 2 0 749.056 7.782 1 5 KKBFRP CC[C@@H]1C[N@@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299831086 562885441 /nfs/dbraw/zinc/88/54/41/562885441.db2.gz XVLDELMYWDBFCC-IHNIEUHNSA-N 2 0 586.868 6.578 1 5 KKBFRP C[N+]12CCCCC1(CCCC/[NH+]=c1/cc3n(-c4ccccc4)c4ccccc4nc-3cc1Nc1ccccc1)CCCC2 ZINC000299838732 562887912 /nfs/dbraw/zinc/88/79/12/562887912.db2.gz QXHBJNRVZJNIAT-SCURRHDHSA-N 2 0 570.805 8.498 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]/CC23CCC[NH+]2CCC3)cc1 ZINC000299840979 562888721 /nfs/dbraw/zinc/88/87/21/562888721.db2.gz XCUBJOLYBROHRY-LSWMGQQCSA-N 2 0 554.525 7.710 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CC[NH+]5CCC(CCC6CC[NH+](CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377364988 562895861 /nfs/dbraw/zinc/89/58/61/562895861.db2.gz ZJOOLEZZSQOKAW-UHFFFAOYSA-N 2 0 744.984 9.920 1 5 KKBFRP Oc1ccc2nc3ccc4ccn(CC[NH+]5CCC(C6CC[NH+](CCn7ccc8ccc9nc%10ccc(O)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377806020 562895973 /nfs/dbraw/zinc/89/59/73/562895973.db2.gz HJPFQYJLYWTLFB-UHFFFAOYSA-N 2 0 688.876 8.534 1 5 KKBFRP O=[N+]([O-])c1ccc2c(c1)C1=[NH+]Cc3ccc(cc3)C[NH+]=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc([N+](=O)[O-])cc13 ZINC000377848806 562896411 /nfs/dbraw/zinc/89/64/11/562896411.db2.gz ZFLVLBGXPLRZKY-UHFFFAOYSA-N 2 0 582.620 6.863 1 5 KKBFRP CC[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)[C@H]1CC[C@](C(=O)OC3C[C@H]4CC[C@@H](C3)[N+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000038139441 717125669 /nfs/dbraw/zinc/12/56/69/717125669.db2.gz LIIILPIXOYWUHW-ISXUSZOFSA-N 2 0 600.844 6.256 1 5 KKBFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(O)c(c(OC)c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)=C3C2 ZINC000085907895 717137349 /nfs/dbraw/zinc/13/73/49/717137349.db2.gz AHRCPZKEUMXXKB-HKBQPEDESA-O 2 0 622.762 6.463 1 5 KKBFRP C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169356591 717156180 /nfs/dbraw/zinc/15/61/80/717156180.db2.gz SCZOPTBMQBAZQB-CCJNPDPQSA-N 2 0 642.928 8.781 1 5 KKBFRP COc1ccc(C[C@H]2c3cc(C)c(C)cc3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000238744652 717162230 /nfs/dbraw/zinc/16/22/30/717162230.db2.gz BZNRNBQMLISAFH-PXLJZGITSA-N 2 0 635.825 7.530 1 5 KKBFRP C/C=C/C[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N(c1ccccc1)[C@@H]1[C@H]3CC[N@+]4(C/C=C/C)CC6=CCO[C@@H]5[C@@H]1[C@H]6C[C@@H]34)C2 ZINC000253656750 717166963 /nfs/dbraw/zinc/16/69/63/717166963.db2.gz YJZAFOHWUCTBKL-NJOBHHRZSA-N 2 0 696.980 6.813 1 5 KKBFRP CCC[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000253898286 717169118 /nfs/dbraw/zinc/16/91/18/717169118.db2.gz RZXCKNVSSZPLGB-BJRNYFESSA-N 2 0 670.942 6.116 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000261147795 717178985 /nfs/dbraw/zinc/17/89/85/717178985.db2.gz OFVCLEVYGVDROK-VNUIWLLVSA-N 2 0 572.793 6.831 1 5 KKBFRP O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000003942184 561689454 /nfs/dbraw/zinc/68/94/54/561689454.db2.gz RDHISUVUWRZIJR-UHFFFAOYSA-N 2 0 662.790 6.931 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000025990680 561764677 /nfs/dbraw/zinc/76/46/77/561764677.db2.gz LTLNVCKEGZFTEG-UHFFFAOYSA-N 2 0 617.618 5.379 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000025991843 561764825 /nfs/dbraw/zinc/76/48/25/561764825.db2.gz IWYLXBUYCLCOLF-UHFFFAOYSA-N 2 0 616.725 5.091 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1Cc1ccccc1)CCCN1C(=O)c2ccccc2[C@H]1Cc1ccccc1 ZINC000026272794 561777407 /nfs/dbraw/zinc/77/74/07/561777407.db2.gz FOISSSBONMABSW-NDOUMJCMSA-N 2 0 701.012 8.359 1 5 KKBFRP O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CC[NH2+]CCC[NH2+]CCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000027520228 561863402 /nfs/dbraw/zinc/86/34/02/561863402.db2.gz PGCKQBLIVWMPFF-UHFFFAOYSA-N 2 0 620.709 5.761 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3ccncc13)n2CC[NH+]1CCC(C2CC[NH+](CCn3c4ccc(OC)cc4c4c3ccc3ccncc43)CC2)CC1 ZINC000027882756 561889168 /nfs/dbraw/zinc/88/91/68/561889168.db2.gz RMKPSOBESJEBKD-UHFFFAOYSA-N 2 0 716.930 9.140 1 5 KKBFRP c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCCC[NH2+]CCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000028463098 561925621 /nfs/dbraw/zinc/92/56/21/561925621.db2.gz ATGQREUGTOVYIE-UHFFFAOYSA-N 3 0 539.767 8.329 1 5 KKBFRP C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 ZINC000029042884 561991804 /nfs/dbraw/zinc/99/18/04/561991804.db2.gz YUCWEGFMHPAQJI-UHFFFAOYSA-N 2 0 566.830 6.572 1 5 KKBFRP Cc1cccc2nc3cccc(C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)c4cccc5nc6cccc(C)c6nc54)c3nc12 ZINC000029208410 562005376 /nfs/dbraw/zinc/00/53/76/562005376.db2.gz KRRNECSAYYOHPG-UHFFFAOYSA-N 2 0 642.808 5.396 1 5 KKBFRP C[NH+](C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(C[NH+](C)C)o3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000036124283 562047500 /nfs/dbraw/zinc/04/75/00/562047500.db2.gz OVYGDFDMZNYEGZ-UHFFFAOYSA-N 2 0 592.744 5.503 1 5 KKBFRP O=C(Nc1ccc(NCCCC[NH+]2CCCC2)cc1)c1cccc2c(=O)c3cccc(C(=O)Nc4ccc(NCCCC[NH+]5CCCC5)cc4)c3[nH]c12 ZINC000049670079 562668241 /nfs/dbraw/zinc/66/82/41/562668241.db2.gz UFQLQSVWWPDEBE-UHFFFAOYSA-N 2 0 713.927 7.762 1 5 KKBFRP COc1ccccc1C[NH2+]CCCCCCn1c(=O)c2ccc3c(=O)n(CCCCCC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34 ZINC000049722816 562672554 /nfs/dbraw/zinc/67/25/54/562672554.db2.gz BAHMYIHHMQQKKG-UHFFFAOYSA-N 2 0 704.868 5.783 1 5 KKBFRP C[N+](C)(Cc1c2ccccc2n2c1Cn1c3ccccc3c(C[N+](C)(C)Cc3ccc([N+](=O)[O-])cc3)c1C2)Cc1ccc([N+](=O)[O-])cc1 ZINC000049942739 562695579 /nfs/dbraw/zinc/69/55/79/562695579.db2.gz DVZVHBUJNRUJGK-UHFFFAOYSA-N 2 0 644.776 7.376 1 5 KKBFRP Cc1c2cc(NC(=O)NCCCCCCNC(=O)Nc3ccc4c5ccccc5[n+](C)c(C)c4c3)ccc2c2ccccc2[n+]1C ZINC000058582238 562699923 /nfs/dbraw/zinc/69/99/23/562699923.db2.gz RPFKAKGNWUNIST-UHFFFAOYSA-P 2 0 614.794 7.069 1 5 KKBFRP CCc1c(C)c2[nH]c1C=C1[NH2+]C(=Cc3[nH]c4c(c3C)C(=O)C=C4C3=[NH+]C(=C2)[C@@H](C)[C@@H]3CCC(=O)OC)C2=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@@]12C ZINC000058635650 562701168 /nfs/dbraw/zinc/70/11/68/562701168.db2.gz SYPZLMPHAXOBHY-PARSGDLGSA-N 2 0 690.797 6.317 1 5 KKBFRP O=C(Nc1ccccc1-c1ccccc1)O[C@H]1C[N+]2(CCCCCCCCC[NH2+]C[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)CCC1CC2 ZINC000072121209 562724153 /nfs/dbraw/zinc/72/41/53/562724153.db2.gz OEMAFJPJPSVKLB-KDBJYSLQSA-O 2 0 667.871 7.112 1 5 KKBFRP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]([N+](C)(C)Cc5ccccc5)CC[C@@]43C)[C@@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095558225 562762414 /nfs/dbraw/zinc/76/24/14/562762414.db2.gz LHYZODCWDVXIPG-DGBRTFJJSA-N 2 0 510.807 5.491 1 5 KKBFRP CC(C)C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095573821 562769809 /nfs/dbraw/zinc/76/98/09/562769809.db2.gz DZWPNYUKCTXYSU-DMFHDPHMSA-N 2 0 570.663 7.309 1 5 KKBFRP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)ccc1c2=O ZINC000095606557 562782151 /nfs/dbraw/zinc/78/21/51/562782151.db2.gz KKSPEFAKHLFRKN-SZPZYZBQSA-N 2 0 531.701 5.500 1 5 KKBFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CC)ccc1c2=O ZINC000095606570 562782200 /nfs/dbraw/zinc/78/22/00/562782200.db2.gz GJXFTFVATBYQAI-WMPKNSHKSA-N 2 0 559.755 6.280 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H]([NH3+])CCCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095612839 562785854 /nfs/dbraw/zinc/78/58/54/562785854.db2.gz KNPOCHBAQCIVHL-PMERELPUSA-N 2 0 762.825 5.203 1 5 KKBFRP CC[NH+](CCCCCCn1c(=O)c2ccc3c(=O)n(CCCCCC[N@@H+](CC)Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34)Cc1ccccc1OC ZINC000095615098 562787083 /nfs/dbraw/zinc/78/70/83/562787083.db2.gz LMHQZKRKCUDJFH-UHFFFAOYSA-N 2 0 760.976 7.248 1 5 KKBFRP COc1c(OC)c2sc3c(CC[NH+](C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CC[NH+](C)C)c3ssc2c(CC[NH+](C)C)c1SC ZINC000096085629 562790367 /nfs/dbraw/zinc/79/03/67/562790367.db2.gz SYYGQWWWVKVZAF-UHFFFAOYSA-N 3 0 888.369 10.171 1 5 in-vitro KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 ZINC000150549048 562844523 /nfs/dbraw/zinc/84/45/23/562844523.db2.gz ICRGOSHVMLLJOQ-ZWHQLJQGSA-N 2 0 696.980 8.788 1 5 KKBFRP Nc1ccc2c3ccc(=[NH2+])cc-3n(CCC[NH2+]CCC[NH2+]CCCNc3c4ccccc4[nH+]c4c3CCCC4)c(-c3ccccc3)c2c1 ZINC000169718677 562871309 /nfs/dbraw/zinc/87/13/09/562871309.db2.gz UXTFWAJYDNDQIT-UHFFFAOYSA-N 3 0 637.876 7.363 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]/CC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299828117 562884348 /nfs/dbraw/zinc/88/43/48/562884348.db2.gz GXEWQRAKFSZMRC-JLGALEIISA-N 2 0 596.606 8.736 1 5 KKBFRP CC[NH+](CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN4CCOCC4)c3cc21 ZINC000299865344 562894379 /nfs/dbraw/zinc/89/43/79/562894379.db2.gz NLNCRCZHIDUVQB-UHFFFAOYSA-N 2 0 514.501 5.735 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CC[NH+]5CCC(CC6CC[NH+](CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377805978 562895966 /nfs/dbraw/zinc/89/59/66/562895966.db2.gz XSPGXUPZIZGHTA-UHFFFAOYSA-N 2 0 730.957 9.530 1 5 KKBFRP CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113173 562898764 /nfs/dbraw/zinc/89/87/64/562898764.db2.gz HTSMDVRAOTZYSQ-KBRGEABDSA-N 2 0 726.919 7.263 1 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169488122 717156494 /nfs/dbraw/zinc/15/64/94/717156494.db2.gz GVEAYVLWDAFXET-FOXHMLNDSA-N 2 0 572.875 6.111 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015449328 717111093 /nfs/dbraw/zinc/11/10/93/717111093.db2.gz BGSZAXLLHYERSY-WQPDHHKGSA-N 2 0 557.840 5.966 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015449259 717111381 /nfs/dbraw/zinc/11/13/81/717111381.db2.gz GVEAYVLWDAFXET-SOELJFMKSA-N 2 0 572.875 6.111 1 5 KKBFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(Cc6ccccc6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000043021284 717128464 /nfs/dbraw/zinc/12/84/64/717128464.db2.gz DTNBCLBEPRKREE-PMERELPUSA-O 2 0 620.837 5.679 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000049783764 717130614 /nfs/dbraw/zinc/13/06/14/717130614.db2.gz SMOUFAGGAGLPGE-GIIZINKZSA-N 2 0 600.847 7.611 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095549825 717138800 /nfs/dbraw/zinc/13/88/00/717138800.db2.gz JZPGVCCELICHKB-UHFFFAOYSA-N 2 0 764.861 6.120 1 5 KKBFRP C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169339065 717155873 /nfs/dbraw/zinc/15/58/73/717155873.db2.gz IDKSCGSLZJPHGN-GCGBLBKRSA-N 2 0 614.874 8.001 1 5 KKBFRP c1ccc(N2[C@@H]3[C@H]4CC[N@+]5([C@H]6C=CCCC6)CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N@@+]6([C@H]7C=CCCC7)CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@@H]56)cc1 ZINC000253656669 717167132 /nfs/dbraw/zinc/16/71/32/717167132.db2.gz WIHLVGZFKARCLL-XAEZCJSESA-N 2 0 749.056 7.878 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@@](C(=O)O[C@@H]3C[C@H]4CC[C@@H](C3)[N@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000254043372 717169374 /nfs/dbraw/zinc/16/93/74/717169374.db2.gz LIIILPIXOYWUHW-JEYXVXIESA-N 2 0 600.844 6.256 1 5 KKBFRP C/C=C1/C[N@H+]2CC[C@@]34Cc5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255218942 717170938 /nfs/dbraw/zinc/17/09/38/717170938.db2.gz HXSUIFJHKMZLGO-WSKBOKFFSA-N 2 0 649.856 5.185 1 5 KKBFRP C/C=C1/C[N@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C/C(=C/C)[C@@H]6C[C@@H]12 ZINC000255222723 717171735 /nfs/dbraw/zinc/17/17/35/717171735.db2.gz KJHAQFGXJGTJHM-OBLXDZEGSA-N 2 0 582.836 6.418 1 5 KKBFRP CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000299819557 717181060 /nfs/dbraw/zinc/18/10/60/717181060.db2.gz GVEAYVLWDAFXET-NQOBCYGKSA-N 2 0 572.875 6.111 1 5 KKBFRP CC[NH+](CC)CCC[C@@H](C)/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000003917975 561685315 /nfs/dbraw/zinc/68/53/15/561685315.db2.gz HPBJJUSZXGMGSW-TVGJNALJSA-N 2 0 572.584 8.592 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c43)C1=O)C2=O ZINC000025987030 561764357 /nfs/dbraw/zinc/76/43/57/561764357.db2.gz SMMUCYDZOOABSR-UHFFFAOYSA-N 2 0 612.815 5.534 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O ZINC000025987286 561764375 /nfs/dbraw/zinc/76/43/75/561764375.db2.gz RSROAIOJNNDQFH-UHFFFAOYSA-N 2 0 604.836 5.325 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000025988343 561764446 /nfs/dbraw/zinc/76/44/46/561764446.db2.gz AVDKOUNYQWFEDD-UHFFFAOYSA-N 2 0 686.508 6.686 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)CCCN1C(=O)c2ccccc2C1=O ZINC000025990724 561764752 /nfs/dbraw/zinc/76/47/52/561764752.db2.gz RQFWJKXRIVLGMF-SKYZXBIZSA-N 2 0 676.902 5.668 1 5 KKBFRP CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O ZINC000025991849 561764811 /nfs/dbraw/zinc/76/48/11/561764811.db2.gz NEGXDRIVFAGSHV-UHFFFAOYSA-N 2 0 604.836 5.370 1 5 KKBFRP COc1ccc2[nH]c3ccc4ccc(NCC[NH+]5CCC(C6CC[NH+](CCNc7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000026182605 561772052 /nfs/dbraw/zinc/77/20/52/561772052.db2.gz XBPSZWSLKBPPOD-UHFFFAOYSA-N 2 0 744.984 10.227 1 5 KKBFRP CC(C)O[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC(C)C ZINC000026273967 561777680 /nfs/dbraw/zinc/77/76/80/561777680.db2.gz CSNFZDMXWPEAMV-UWXQCODUSA-N 2 0 636.922 6.639 1 5 KKBFRP CO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC ZINC000026283215 561779419 /nfs/dbraw/zinc/77/94/19/561779419.db2.gz HDNZNYXLRFEGAS-AQOUDTPCSA-N 2 0 580.814 5.082 1 5 KKBFRP CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)=C(CCCC[NH3+])N1 ZINC000026727274 561816152 /nfs/dbraw/zinc/81/61/52/561816152.db2.gz LWIMUFCQSSEBRN-UMSFTDKQSA-N 2 0 650.824 5.012 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027200918 561845070 /nfs/dbraw/zinc/84/50/70/561845070.db2.gz OELJDZHXQRKFMR-GDLZYMKVSA-O 2 0 581.740 8.104 1 5 KKBFRP CC1(C)CC(/[NH+]=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC(C)(C)[NH2+]1 ZINC000027648338 561876201 /nfs/dbraw/zinc/87/62/01/561876201.db2.gz GTOIWWJVHWNNMO-PNFNHJRFSA-N 2 0 570.568 8.391 1 5 KKBFRP O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(C(c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1 ZINC000028529176 561933700 /nfs/dbraw/zinc/93/37/00/561933700.db2.gz JOALWWNFUFOTTQ-UWXQCODUSA-N 2 0 686.937 8.497 1 5 KKBFRP CC[NH+](CC)CCOc1ccc2cc3ccc(OCC[NH+](CC)CC)c(Br)c3nc2c1Br ZINC000029462918 562023343 /nfs/dbraw/zinc/02/33/43/562023343.db2.gz KWRMAJMKGLGGAF-UHFFFAOYSA-N 2 0 567.366 6.354 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)[C@@H](c2ccccc2)C2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000038357557 562070860 /nfs/dbraw/zinc/07/08/60/562070860.db2.gz TWNAUTMQNPBBFJ-CHEQPDMZSA-N 2 0 561.679 6.640 1 5 KKBFRP Cc1cc(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000049605129 562665400 /nfs/dbraw/zinc/66/54/00/562665400.db2.gz JZEUHRBMVAVHSY-AREMUKBSSA-N 2 0 643.810 5.294 1 5 KKBFRP C[NH+](C)CCCNc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NCCC[NH+](C)C)cc5)c4[nH]c23)cc1 ZINC000049678090 562668434 /nfs/dbraw/zinc/66/84/34/562668434.db2.gz PSEPTXYFUAQQQR-UHFFFAOYSA-N 2 0 633.797 5.913 1 5 KKBFRP O=C(CC[NH+]1CCCC1)Nc1cccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5cccc(NC(=O)CC[NH+]6CCCC6)c5)c4[nH]c23)c1 ZINC000049678949 562668682 /nfs/dbraw/zinc/66/86/82/562668682.db2.gz SOSVCJGNXNOCGX-UHFFFAOYSA-N 2 0 713.839 6.035 1 5 KKBFRP O=[N+]([O-])c1ccc2[nH]c3c(ccnc3C3=C[C@@]4(O)CC/C=C\CCCC[N@@H+]5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCC[NH+]6[C@H]34)C5)c2c1 ZINC000049708477 562670939 /nfs/dbraw/zinc/67/09/39/562670939.db2.gz RQLJFNBIQWTYFS-CDMKWVAVSA-N 2 0 593.772 6.764 1 5 KKBFRP COc1ccccc1C[NH2+]CCCCCCCn1c(=O)c2ccc3c(=O)n(CCCCCCC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34 ZINC000049722817 562672549 /nfs/dbraw/zinc/67/25/49/562672549.db2.gz QFNPIWQMNDVHJK-UHFFFAOYSA-N 2 0 732.922 6.563 1 5 KKBFRP C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049785368 562683992 /nfs/dbraw/zinc/68/39/92/562683992.db2.gz OFPCMFCCGAGBMW-UHFFFAOYSA-N 2 0 662.875 6.769 1 5 KKBFRP COc1cc2c(c3c1OCO3)CC[N@H+](C)[C@H]2Cc1ccc(Oc2cc(C[C@H]3c4cc(OC)c(OC)c(OC)c4CC[N+]3(C)C)ccc2OC)cc1 ZINC000049889174 562691830 /nfs/dbraw/zinc/69/18/30/562691830.db2.gz UNLANLZLFACELM-LQJZCPKCSA-N 2 0 697.849 6.939 1 5 KKBFRP Cc1c2cc(NC(=O)NCCNC(=O)Nc3ccc4c5ccccc5[n+](C)c(C)c4c3)ccc2c2ccccc2[n+]1C ZINC000058582235 562699917 /nfs/dbraw/zinc/69/99/17/562699917.db2.gz OGCXHFGLUPJGDS-UHFFFAOYSA-P 2 0 558.686 5.508 1 5 KKBFRP CC[NH+](CC)CCn1c2ccc(Cl)cc2c2c1c(=O)c1ccc(Cl)cc1n2CC[NH+](CC)CC ZINC000064548919 562707962 /nfs/dbraw/zinc/70/79/62/562707962.db2.gz MXXJQYJKQPVWDF-UHFFFAOYSA-N 2 0 501.502 6.100 1 5 KKBFRP CCCC[N+](C)(CCCC)Cn1c(=O)c2ccc3c(=O)n(C[N+](C)(CCCC)CCCC)c(=O)c4ccc(c1=O)c2c34 ZINC000072109705 562721614 /nfs/dbraw/zinc/72/16/14/562721614.db2.gz HIUUMIIQGJETCJ-UHFFFAOYSA-N 2 0 578.798 5.074 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCC(C[NH2+]CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178520 562741752 /nfs/dbraw/zinc/74/17/52/562741752.db2.gz IKTHJYNRIUVFOY-UHFFFAOYSA-N 2 0 735.799 5.489 1 5 KKBFRP C[NH+](C)CCOCCn1c(=O)c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCOCC[NH+](C)C)c(=O)c6ccc(c7c(N8CCCCC8)cc(c1=O)c2c37)c4c65 ZINC000095547486 562758743 /nfs/dbraw/zinc/75/87/43/562758743.db2.gz KZHZZOUIONBWEW-UHFFFAOYSA-N 2 0 786.974 5.100 1 5 KKBFRP C=Cc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)c(C)c4C(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](CCC(=O)OC)[C@@H]3C ZINC000095550288 562760077 /nfs/dbraw/zinc/76/00/77/562760077.db2.gz SXTGGGBMEZFIFP-PYISFFCESA-N 2 0 794.998 5.581 1 5 KKBFRP CC(C)C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095578145 562771172 /nfs/dbraw/zinc/77/11/72/562771172.db2.gz ISVMYVOEXKAFJY-OZMGXUMRSA-N 2 0 520.656 6.429 1 5 KKBFRP O=C1c2ccccc2C(=O)N1CCCCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606488 562782121 /nfs/dbraw/zinc/78/21/21/562782121.db2.gz HVTBZUQKADIORL-ZEJZBGNUSA-N 2 0 772.781 8.556 1 5 KKBFRP C[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)ccc1c2=O ZINC000095606558 562782185 /nfs/dbraw/zinc/78/21/85/562782185.db2.gz KKSPEFAKHLFRKN-VXKWHMMOSA-N 2 0 531.701 5.500 1 5 KKBFRP CC[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[N@H+]3CCCC[C@@H]3CC)ccc1c2=O ZINC000095606571 562782222 /nfs/dbraw/zinc/78/22/22/562782222.db2.gz GJXFTFVATBYQAI-UIOOFZCWSA-N 2 0 559.755 6.280 1 5 KKBFRP C[NH+](C)CCn1[nH]c2c3c1ccc(C(=O)NCCC[NH+](C)CCCNC(=O)c1ccc4c5c([nH]n4CC[NH+](C)C)c4cc(O)ccc4nc51)c3nc1ccc(O)cc21 ZINC000095606641 562782238 /nfs/dbraw/zinc/78/22/38/562782238.db2.gz DREHDHKEDQKLAC-UHFFFAOYSA-N 3 0 785.954 5.061 1 5 KKBFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1ccc2c(C[NH+]3CCCC3)cn(Cc3ccc(F)cc3)c2c1)C(=O)NCc1ccccc1 ZINC000095610064 562784191 /nfs/dbraw/zinc/78/41/91/562784191.db2.gz PFEZJBGSVAHFPT-UWXQCODUSA-N 2 0 804.928 5.130 1 5 KKBFRP O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(OCCCN3CC[NH+](CCCNc4c5ccccc5[nH+]c5c4CCCC5)CC3)ccc12 ZINC000096285553 562795854 /nfs/dbraw/zinc/79/58/54/562795854.db2.gz LPFUNCKTPHEEPF-UHFFFAOYSA-N 2 0 647.776 6.684 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cnc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000096926845 562802375 /nfs/dbraw/zinc/80/23/75/562802375.db2.gz DHXQQZZDCUKKTN-UHFFFAOYSA-N 2 0 629.093 5.427 1 5 KKBFRP CCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938554 562804496 /nfs/dbraw/zinc/80/44/96/562804496.db2.gz NWSIDPXDGPMSIU-UHFFFAOYSA-N 2 0 501.553 5.678 1 5 KKBFRP COc1ccc2nc3ccc4ccn(CC[NH+]5CCC(C6CC[NH+](CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000150544599 562844354 /nfs/dbraw/zinc/84/43/54/562844354.db2.gz NHUWXMNVGMRODJ-UHFFFAOYSA-N 2 0 716.930 9.140 1 5 in-vitro KKBFRP O[C@H](C[NH2+]C1CCCCC1)COc1ccc([C@@H](c2ccc(OC[C@@H](O)C[NH2+]C3CCCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1 ZINC000253638296 562882422 /nfs/dbraw/zinc/88/24/22/562882422.db2.gz JOALWWNFUFOTTQ-PXAFMRSJSA-N 2 0 686.937 8.497 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]/C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299829708 562884979 /nfs/dbraw/zinc/88/49/79/562884979.db2.gz HWHUCMMGDVGAHQ-BGLCANLKSA-N 2 0 582.579 8.346 1 5 KKBFRP CC[C@@H]1C[N@@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@+]2(C)C[C@@H](CC)[C@@H]6C[C@@H]12 ZINC000299831077 562885443 /nfs/dbraw/zinc/88/54/43/562885443.db2.gz XVLDELMYWDBFCC-AUUCUIAMSA-N 2 0 586.868 6.578 1 5 KKBFRP Cn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1cccc(OCCOCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=[NH2+])cc-4n3C)c2)c1 ZINC000377819892 562896112 /nfs/dbraw/zinc/89/61/12/562896112.db2.gz REPXTSIOSPBXKP-UHFFFAOYSA-N 2 0 700.843 7.811 1 5 KKBFRP COc1ccc2nc3ccc4ccn(C[C@H](O)C[NH+]5CCC(C6CC[NH+](C[C@@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819880 562896137 /nfs/dbraw/zinc/89/61/37/562896137.db2.gz DPAPEWUYBPAMKW-LQFQNGICSA-N 2 0 776.982 7.862 1 5 KKBFRP O=[N+]([O-])c1ccc2c(c1)C1=[NH+]CCCCC[NH+]=C3C=CN(CCCCCN2C=C1)c1ccc([N+](=O)[O-])cc13 ZINC000377846050 562896364 /nfs/dbraw/zinc/89/63/64/562896364.db2.gz BNSNNXCHOXOLEY-UHFFFAOYSA-N 2 0 514.586 5.803 1 5 KKBFRP CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113181 562898741 /nfs/dbraw/zinc/89/87/41/562898741.db2.gz HTSMDVRAOTZYSQ-NZCKGYRVSA-N 2 0 726.919 7.263 1 5 KKBFRP C[C@@H]1CCc2c([nH+]c3ccc([N+](=O)[O-])cc3c2NCCCCCCNc2c3cc([N+](=O)[O-])ccc3[nH+]c3c2CC[C@@H](C)C3)C1 ZINC000653913842 562917742 /nfs/dbraw/zinc/91/77/42/562917742.db2.gz CTGCRNKZFJJRHE-FGZHOGPDSA-N 2 0 596.732 6.777 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000049780212 717129986 /nfs/dbraw/zinc/12/99/86/717129986.db2.gz SCZOPTBMQBAZQB-SMHVLNRRSA-N 2 0 642.928 8.781 1 5 KKBFRP C[n+]1cccc2oc(/C=C3/C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=C/C(=C/c5nc6c(ccc[n+]6C)o5)c5ccccc54)c4ccccc43)nc21 ZINC000087515841 717137313 /nfs/dbraw/zinc/13/73/13/717137313.db2.gz OODIVTSMHJGECZ-UHFFFAOYSA-N 4 0 765.019 7.390 1 5 in-vitro KKBFRP c1ccc(N2[C@@H]3[C@H]4CC[N+]5([C@H]6C=CCCC6)CC6=CCO[C@H]([C@@H]3[C@H]6C[C@@H]45)N3c4ccccc4[C@@]45CC[N+]6([C@@H]7C=CCCC7)CC7=CCO[C@@H]2[C@@H]([C@H]34)[C@H]7C[C@@H]56)cc1 ZINC000169355554 717156202 /nfs/dbraw/zinc/15/62/02/717156202.db2.gz WIHLVGZFKARCLL-RRIAIDRPSA-N 2 0 749.056 7.878 1 5 KKBFRP CC(C)=C1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CC[N+]5(C)CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@@H]45 ZINC000238783377 717163731 /nfs/dbraw/zinc/16/37/31/717163731.db2.gz AEQSLFBIMMDPAQ-AQOSEQGFSA-N 2 0 597.827 6.641 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000261111448 717178989 /nfs/dbraw/zinc/17/89/89/717178989.db2.gz IDKSCGSLZJPHGN-GHZPUDFRSA-N 2 0 614.874 8.001 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261147792 717179003 /nfs/dbraw/zinc/17/90/03/717179003.db2.gz OFVCLEVYGVDROK-GAKQXGIYSA-N 2 0 572.793 6.831 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000261111453 717179131 /nfs/dbraw/zinc/17/91/31/717179131.db2.gz IDKSCGSLZJPHGN-JCIMKDCBSA-N 2 0 614.874 8.001 1 5 KKBFRP COc1ccc2[nH]c3c(c2c1)c(C)c1c(cc[nH+]c1NCCC[N@H+](C)CCCNc1ccc2ncn4c2c1c(=O)c1ccccc14)c3C ZINC000005543909 561696521 /nfs/dbraw/zinc/69/65/21/561696521.db2.gz ODYSCXWHTBLJEX-UHFFFAOYSA-N 2 0 637.788 7.483 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21)CCCN1C(=O)c2ccccc2C1=O ZINC000025990707 561764737 /nfs/dbraw/zinc/76/47/37/561764737.db2.gz RQFWJKXRIVLGMF-UHUDKZBCSA-N 2 0 676.902 5.668 1 5 KKBFRP CO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC ZINC000026283209 561779471 /nfs/dbraw/zinc/77/94/71/561779471.db2.gz HDNZNYXLRFEGAS-HEVIKAOCSA-N 2 0 580.814 5.082 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CCC[NH+]2CCCC2)cc1 ZINC000027637415 561874684 /nfs/dbraw/zinc/87/46/84/561874684.db2.gz JXOCCMFKYQKRRH-DNGXXSEMSA-N 2 0 542.514 7.567 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CCN2CCCC2)cc1 ZINC000027650809 561876538 /nfs/dbraw/zinc/87/65/38/561876538.db2.gz VNVWEFFEFQFYLW-MHTZHOPKSA-N 2 0 528.487 7.177 1 5 KKBFRP CCOc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(OCC)cc4)c-3c/c2=[NH+]\CC[NH+](CC)CC)cc1 ZINC000027653091 561876940 /nfs/dbraw/zinc/87/69/40/561876940.db2.gz SXBWSTPADAKLAI-WUZYOQQESA-N 2 0 549.719 6.914 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1 ZINC000029209514 562005525 /nfs/dbraw/zinc/00/55/25/562005525.db2.gz UHJYENFJYMCEKQ-COCZKOEFSA-P 2 0 702.988 7.377 1 5 KKBFRP COc1cc(CC[NH+](C)C)c2sc3c(OC)c(OC)c(SC)c(CC[NH+](C)C)c3ssc2c1O ZINC000044053357 562652021 /nfs/dbraw/zinc/65/20/21/562652021.db2.gz PGVMTGVDGHUSFT-UHFFFAOYSA-N 2 0 542.814 5.963 1 5 KKBFRP Cc1cc(C(=O)N(Cc2ccc(-c3ccc(C[NH2+]CCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000049605128 562665398 /nfs/dbraw/zinc/66/53/98/562665398.db2.gz JZEUHRBMVAVHSY-SANMLTNESA-N 2 0 643.810 5.294 1 5 KKBFRP O=[N+]([O-])c1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCC[N@@H+]6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCC[NH+]7[C@H]45)C6)c3[nH]c21 ZINC000049709132 562671216 /nfs/dbraw/zinc/67/12/16/562671216.db2.gz CUSQBMIHIAALDG-JQFAMBKLSA-N 2 0 593.772 6.764 1 5 KKBFRP COc1cccc2c1CCC[C@@H]2CCC[NH+]1CCN(C2CC[NH+](CCCCCCNc3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000072181301 562732679 /nfs/dbraw/zinc/73/26/79/562732679.db2.gz ZNAHVWKMCCDTQB-HHHXNRCGSA-N 2 0 633.838 6.094 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c32)C1=O ZINC000095539224 562754916 /nfs/dbraw/zinc/75/49/16/562754916.db2.gz TWIYTIDVJWYGMP-UHFFFAOYSA-N 2 0 794.950 7.467 1 5 KKBFRP COc1ccc2c(c1)c1c(ccc3cc[n+](CCC[NH+]4CCC(C5CC[NH+](CC[n+]6ccc7ccc8c(c9cc(OC)ccc9n8C)c7c6)CC5)CC4)cc13)n2C ZINC000095539820 562755295 /nfs/dbraw/zinc/75/52/95/562755295.db2.gz CTVRWAZIYFVGAO-UHFFFAOYSA-N 4 0 761.027 8.389 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@@H]([NH3+])CCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095540267 562755610 /nfs/dbraw/zinc/75/56/10/562755610.db2.gz ZTSGFIVHGSJVSQ-MHZLTWQESA-N 2 0 762.825 5.203 1 5 KKBFRP C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095571761 562769212 /nfs/dbraw/zinc/76/92/12/562769212.db2.gz YKWHVEFXVMIACL-MDAYZVFASA-N 2 0 528.582 6.283 1 5 KKBFRP O=C1c2ccccc2C(=O)N1CCCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095612520 562785547 /nfs/dbraw/zinc/78/55/47/562785547.db2.gz IJUQADKDKJULIF-IEECRSQCSA-N 2 0 758.754 8.166 1 5 KKBFRP CC1(C)c2c(ccc3ccccc23)[N+](CCC[N+](C)(C)C)=C1/C=C/C(Br)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc3ccccc3c2C1(C)C ZINC000150525227 562843753 /nfs/dbraw/zinc/84/37/53/562843753.db2.gz ZQFKRHNGDMTJBP-UHFFFAOYSA-N 3 0 734.891 10.079 1 5 KKBFRP COc1ccccc1C[N@H+](C)CCCN(C)CCC[NH2+]CCCn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000169718678 562871312 /nfs/dbraw/zinc/87/13/12/562871312.db2.gz SUIMARUJTPHLCU-UHFFFAOYSA-N 3 0 604.843 6.307 1 5 KKBFRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1ccc2ccc3ccc(C(=O)Nc4ccc(OCC[NH+]5CCCCC5)cc4)nc3c2n1 ZINC000198504246 562872762 /nfs/dbraw/zinc/87/27/62/562872762.db2.gz SVXMTKHVKFOUQU-UHFFFAOYSA-N 2 0 672.830 7.017 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299838376 562887848 /nfs/dbraw/zinc/88/78/48/562887848.db2.gz QGSQQXRDJMSVIF-AHDUPELXSA-N 2 0 527.716 7.429 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CCCCC23CCCC[NH+]2CCCC3)cc1 ZINC000299840788 562888662 /nfs/dbraw/zinc/88/86/62/562888662.db2.gz WDMGYWSRFPCZPP-IFZQRFIDSA-N 2 0 555.770 8.354 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299841184 562888798 /nfs/dbraw/zinc/88/87/98/562888798.db2.gz YLBJZMFDQVANBC-BYHIWNHZSA-N 2 0 541.743 7.819 1 5 KKBFRP CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473116729 562899158 /nfs/dbraw/zinc/89/91/58/562899158.db2.gz XRMMDZSSROXOHT-GSVOJQHPSA-N 2 0 706.929 7.123 1 5 KKBFRP CC[NH+](C)CCCCOc1cc2oc3cc(OCCCC[N@@H+](C)CC)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC ZINC000653755935 562910943 /nfs/dbraw/zinc/91/09/43/562910943.db2.gz ISHIAMGHTQOMLV-UHFFFAOYSA-N 2 0 636.874 7.899 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049783763 717130130 /nfs/dbraw/zinc/13/01/30/717130130.db2.gz SMOUFAGGAGLPGE-ZJQUITJNSA-N 2 0 600.847 7.611 1 5 KKBFRP C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+]6(CCCCC6)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000042808045 717127803 /nfs/dbraw/zinc/12/78/03/717127803.db2.gz XFAMGCKVSKERDN-NDEPHWFRSA-O 2 0 584.804 5.033 1 5 KKBFRP C[N+](C)(C)c1c2ccc(n2)c(-c2ccc(C(F)(F)F)cc2)c2ccc([nH]2)c(-c2ccc([N+](C)(C)C)cc2)c2ccc([nH]2)c(-c2ccc([N+](C)(C)C)cc2)c2ccc1n2 ZINC000095535809 717138571 /nfs/dbraw/zinc/13/85/71/717138571.db2.gz JVBFHINNKVINFN-UHFFFAOYSA-N 3 0 780.963 11.480 1 5 KKBFRP CCc1c[n+]2ccc3c([nH]c4cccc(OC)c43)c2cc1C1=CN2c3ccccc3[C@]34CC[N+]5(C)C/C(=C/CO)[C@H](C[C@@H]35)[C@H]([C@H]24)[C@@H]1O ZINC000138176060 717151803 /nfs/dbraw/zinc/15/18/03/717151803.db2.gz LTNBQBFWZNZZMF-JFJSMFJZSA-O 2 0 626.801 5.260 1 5 KKBFRP CC[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@+]3(C)CCCC[C@@H]3CC)ccc1-2 ZINC000253694643 717167770 /nfs/dbraw/zinc/16/77/70/717167770.db2.gz UXGPPDHCFWEFPK-ODIIMQSZSA-P 2 0 574.810 6.373 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000253782522 717168295 /nfs/dbraw/zinc/16/82/95/717168295.db2.gz SMOUFAGGAGLPGE-JANMPPHYSA-N 2 0 600.847 7.611 1 5 KKBFRP C[NH+](C)CCNC(=O)c1ccc(NCCC[NH+](C)CCCNc2ccc(C(=O)NCC[NH+](C)C)c3nc4ccccc4cc23)c2cc3ccccc3nc12 ZINC000003919892 561685563 /nfs/dbraw/zinc/68/55/63/561685563.db2.gz FUVBAFZHEIHPPW-UHFFFAOYSA-N 3 0 727.958 5.908 1 5 KKBFRP COc1c(OC)c2ssc3c(OC)c(OC)c(SC)c(CC[NH+](C)C)c3sc2c(CC[NH+](C)C)c1SC ZINC000003925306 561686405 /nfs/dbraw/zinc/68/64/05/561686405.db2.gz DNJBHFLCTDTJMS-UHFFFAOYSA-N 2 0 602.935 6.988 1 5 KKBFRP CC(=[NH2+])N1CCC(Oc2ccc3c(nc(C(C)C)n3Cc3ccc4ccc(C(N)=[NH2+])cc4c3)c2[N+](=O)[O-])CC1 ZINC000013441140 561712766 /nfs/dbraw/zinc/71/27/66/561712766.db2.gz WEDXGJRTVPRDEG-UHFFFAOYSA-N 2 0 527.629 5.394 1 5 KKBFRP O=C(CC[NH+]1CCCCCC1)Nc1ccc2cc3ccc(NC(=O)CC[NH+]4CCCCCC4)cc3nc2c1 ZINC000013557558 561718963 /nfs/dbraw/zinc/71/89/63/561718963.db2.gz MSWYQCALXGGGBX-UHFFFAOYSA-N 2 0 515.702 5.797 1 5 in-vitro KKBFRP C[N@H+](CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCC[NH+]2CCOCC2)c1 ZINC000014947417 561744647 /nfs/dbraw/zinc/74/46/47/561744647.db2.gz YITSBGUNCGEFBD-UHFFFAOYSA-N 2 0 629.798 6.608 1 5 KKBFRP C[N@H+](CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCC[NH+]2CCOCC2)c1 ZINC000014947415 561744768 /nfs/dbraw/zinc/74/47/68/561744768.db2.gz NSHKRWLPXPEHTJ-UHFFFAOYSA-N 2 0 615.771 6.218 1 5 KKBFRP CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000025987505 561764376 /nfs/dbraw/zinc/76/43/76/561764376.db2.gz SKUMDZYNEOQKGI-UHFFFAOYSA-N 2 0 654.896 6.498 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000026271962 561777400 /nfs/dbraw/zinc/77/74/00/561777400.db2.gz OLZWEMQIYGIGSG-ZRKBJOGQSA-N 2 0 672.958 7.971 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1Cc1ccccc1)CCCN1C(=O)c2ccccc2[C@H]1Cc1ccccc1 ZINC000026272782 561777403 /nfs/dbraw/zinc/77/74/03/561777403.db2.gz FOISSSBONMABSW-PIYFIQLCSA-N 2 0 701.012 8.359 1 5 KKBFRP CC1CC[NH+](CCC(=O)Nc2ccc3cc4ccc(NC(=O)CC[NH+]5CCC(C)CC5)cc4nc3c2)CC1 ZINC000026488967 561792911 /nfs/dbraw/zinc/79/29/11/561792911.db2.gz BQDBDQOPOGFTHF-UHFFFAOYSA-N 2 0 515.702 5.509 1 5 in-vitro KKBFRP CC[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4CC)cc3nc2c1 ZINC000026496496 561794421 /nfs/dbraw/zinc/79/44/21/561794421.db2.gz ZWPUGYBFVBXUSX-ISILISOKSA-N 2 0 543.756 6.574 1 5 in-vitro KKBFRP O=[N+]([O-])c1cc(Cc2c3ccccc3sc2-c2ccc(OCC[NH+]3CCCC3)cc2)ccc1OCC[NH+]1CCCC1 ZINC000026567459 561797388 /nfs/dbraw/zinc/79/73/88/561797388.db2.gz JXTMRIFQBHLMHK-UHFFFAOYSA-N 2 0 571.743 7.017 1 5 KKBFRP [NH3+]CCCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027650739 561876603 /nfs/dbraw/zinc/87/66/03/561876603.db2.gz CBTZOSKLOFMWBV-FEZSWGLMSA-N 2 0 502.449 6.820 1 5 KKBFRP C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000027981496 561891661 /nfs/dbraw/zinc/89/16/61/561891661.db2.gz RREUUXVTJQNFDZ-UHFFFAOYSA-N 2 0 604.836 5.633 1 5 KKBFRP c1cc2c3ccc4c5c(ccc(c6ccc7c(c1CN(CC[NH+]1CCCCC1)C7)c26)c35)CN(CC[NH+]1CCCCC1)C4 ZINC000028640859 561943058 /nfs/dbraw/zinc/94/30/58/561943058.db2.gz MJWFHISUVPMXGA-UHFFFAOYSA-N 2 0 556.798 7.340 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3ccc([N+](=O)[O-])c(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820423 561966031 /nfs/dbraw/zinc/96/60/31/561966031.db2.gz BXJZCBHNEJSEOJ-UHFFFAOYSA-N 2 0 671.839 5.770 1 5 KKBFRP CC[NH+](CC)CCCCCOc1ccc2c(=O)c3ccc(OCCCCC[NH+](CC)CC)c(F)c3oc2c1F ZINC000029133829 562003692 /nfs/dbraw/zinc/00/36/92/562003692.db2.gz WZUSKXOAOJIPIR-UHFFFAOYSA-N 2 0 546.699 7.006 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)CC2c3ccccc3C(c3ccccc32)C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000029207997 562005444 /nfs/dbraw/zinc/00/54/44/562005444.db2.gz HTJLDWOQNWFICD-UHFFFAOYSA-N 2 0 664.891 5.812 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OC(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCC ZINC000029306667 562011686 /nfs/dbraw/zinc/01/16/86/562011686.db2.gz JLRNPSMEKJAHJA-KJSUXLCWSA-N 2 0 732.743 6.955 1 5 KKBFRP CC[NH+](CC)Cc1cc(C)cc(-c2c(=O)[nH]c3cc(Cl)c([N+](=O)[O-])cc3c2OCC[C@H]2CCCC[NH2+]2)c1 ZINC000029411644 562021922 /nfs/dbraw/zinc/02/19/22/562021922.db2.gz XEUJVNWKYKXWBP-OAQYLSRUSA-N 2 0 527.065 6.230 1 5 KKBFRP CC[NH+](CC)CCOc1ccc2cc3cc([N+](=O)[O-])c(OCC[NH+](CC)CC)c(Br)c3nc2c1Br ZINC000029462955 562023432 /nfs/dbraw/zinc/02/34/32/562023432.db2.gz DBJZPCWWKFTKDX-UHFFFAOYSA-N 2 0 612.363 6.262 1 5 KKBFRP CCCCC[NH+](CCCCC)Cc1ccc2nc3ccc(C[NH+](CCCCC)CCCCC)cc3nc2c1 ZINC000032038185 562036843 /nfs/dbraw/zinc/03/68/43/562036843.db2.gz DYEREWOQNYEXIB-UHFFFAOYSA-N 2 0 518.834 9.148 1 5 KKBFRP C[N+](C)(CCCC(=O)c1ccc(C(=O)CCC[N+](C)(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl ZINC000049723162 562672992 /nfs/dbraw/zinc/67/29/92/562672992.db2.gz QXFMQFKOGRVYTB-UHFFFAOYSA-N 2 0 555.590 7.472 1 5 KKBFRP c1ccc2c(c1)[nH]c1c2c(NCCCCCCCNc2[nH+]c3ccccc3c3[nH]c4ccccc4c32)[nH+]c2ccccc12 ZINC000049757087 562675506 /nfs/dbraw/zinc/67/55/06/562675506.db2.gz TZPGAWIZDUGSMT-UHFFFAOYSA-N 2 0 562.721 9.527 1 5 KKBFRP Cc1onc(-c2c3ccccc3cc3ccccc32)c1C(=O)Nc1cc(C(=O)Nc2cn(C)cc2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1 ZINC000049899471 562693129 /nfs/dbraw/zinc/69/31/29/562693129.db2.gz MFLBGVKIBDOJTB-UHFFFAOYSA-N 2 0 716.887 6.484 1 5 KKBFRP O=[N+]([O-])c1ccc(Cn2cc[n+](-c3ccc(-c4ccc(-[n+]5ccn(Cc6ccc([N+](=O)[O-])cc6)c5)cc4)cc3)c2)cc1 ZINC000073169257 562734822 /nfs/dbraw/zinc/73/48/22/562734822.db2.gz MIDJZEVNBYLNIN-UHFFFAOYSA-N 2 0 558.598 5.423 1 5 KKBFRP C[NH+](C)CCCC(=O)Nc1ccc(C(=O)Nc2ccc3c(cc4c(=O)n5c(cc6cc(NC(=O)c7ccc(NC(=O)CCC[NH+](C)C)cc7)ccc65)c(=O)n43)c2)cc1 ZINC000095542237 562756560 /nfs/dbraw/zinc/75/65/60/562756560.db2.gz IAGHTNVGQCFHFU-UHFFFAOYSA-N 2 0 780.886 5.722 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095560958 562763221 /nfs/dbraw/zinc/76/32/21/562763221.db2.gz ZBPAKQKKCNWMKO-REMSNAQLSA-N 2 0 538.817 6.052 1 5 KKBFRP CC1(C)c2cc(Cl)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Cl)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Cl)cc2C1(C)C ZINC000095563340 562763955 /nfs/dbraw/zinc/76/39/55/562763955.db2.gz CLPAZYOBOVWANB-UHFFFAOYSA-N 3 0 659.210 8.923 1 5 KKBFRP C[NH+]1CCC(/[NH+]=c2\cc3n(-c4ccc(OC(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095575716 562770418 /nfs/dbraw/zinc/77/04/18/562770418.db2.gz QWKNQNCQDVNEHZ-MDAYZVFASA-N 2 0 544.581 6.162 1 5 KKBFRP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCN(CC/[NH+]=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606487 562782126 /nfs/dbraw/zinc/78/21/26/562782126.db2.gz VPTNFWOVFKGLBD-DGCBYWKDSA-N 2 0 744.727 7.775 1 5 KKBFRP C[C@@H]1CCCC[NH+]1CCC(=O)Nc1ccc2[nH]c3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4C)cc3c(=O)c2c1 ZINC000095606615 562782262 /nfs/dbraw/zinc/78/22/62/562782262.db2.gz AUEWEHMRNGTAAA-SZPZYZBQSA-N 2 0 531.701 5.500 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000150346743 562843205 /nfs/dbraw/zinc/84/32/05/562843205.db2.gz UXOKIKTXYVUMOP-KJRRGFDCSA-N 2 0 718.716 6.566 1 5 KKBFRP Oc1ccc2nc3ccc4cn(CC[NH+]5CCC(C6CC[NH+](CCn7ccc8c9c(ccc8c7)nc7ccc(O)cc79)CC6)CC5)ccc4c3c2c1 ZINC000377819978 562896155 /nfs/dbraw/zinc/89/61/55/562896155.db2.gz PHQRSGXZOGEWGY-UHFFFAOYSA-N 2 0 688.876 8.534 1 5 KKBFRP C[C@@H]1CCc2c([nH+]c3ccc([N+](=O)[O-])cc3c2NCCCCCCNc2c3cc([N+](=O)[O-])ccc3[nH+]c3c2CC[C@H](C)C3)C1 ZINC000653913844 562917774 /nfs/dbraw/zinc/91/77/74/562917774.db2.gz CTGCRNKZFJJRHE-SZPZYZBQSA-N 2 0 596.732 6.777 1 5 KKBFRP CCC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000049683071 717129996 /nfs/dbraw/zinc/12/99/96/717129996.db2.gz RZXCKNVSSZPLGB-VHPPAWSRSA-N 2 0 670.942 6.116 1 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169446801 717156524 /nfs/dbraw/zinc/15/65/24/717156524.db2.gz BGSZAXLLHYERSY-BPHQDFDTSA-N 2 0 557.840 5.966 1 5 KKBFRP CC[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)[C@H]1CC[C@@](C(=O)OC3C[C@H]4CC[C@@H](C3)[N+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000008035397 717105831 /nfs/dbraw/zinc/10/58/31/717105831.db2.gz LIIILPIXOYWUHW-JBDCLKQESA-N 2 0 600.844 6.256 1 5 KKBFRP C[N+](C)(C)CC(C[N+](C)(C)C)Oc1ccc2c(c1)c1nc3[nH]c(nc4nc(nc5nc(nc2[nH]1)-c1ccccc1-5)-c1ccccc1-4)c1ccccc13 ZINC000162252134 717154488 /nfs/dbraw/zinc/15/44/88/717154488.db2.gz DKQBYPWSTXOAEM-UHFFFAOYSA-N 2 0 688.840 7.029 1 5 in-vivo KKBFRP COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)[N+](C)(C)CC4 ZINC000238745066 717162200 /nfs/dbraw/zinc/16/22/00/717162200.db2.gz XZXPPGQYMYBQBF-IHLOFXLRSA-O 2 0 623.770 7.004 1 5 KKBFRP C/C=C/C[N@@+]12CC[C@H]3[C@@H]1C[C@H]1C(=CCO[C@@H]4[C@H]1[C@@H]3N(c1ccccc1)[C@@H]1OCC=C3C[N@@+]5(C/C=C/C)CC[C@]67c8ccccc8N4[C@H]6[C@H]1[C@H]3C[C@@H]75)C2 ZINC000253656758 717167213 /nfs/dbraw/zinc/16/72/13/717167213.db2.gz YJZAFOHWUCTBKL-PYIOGGJUSA-N 2 0 696.980 6.813 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000253782557 717168255 /nfs/dbraw/zinc/16/82/55/717168255.db2.gz SMOUFAGGAGLPGE-NZYKERBTSA-N 2 0 600.847 7.611 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000253777172 717168348 /nfs/dbraw/zinc/16/83/48/717168348.db2.gz GSNBFVUNURCXIQ-LDCYWHLHSA-N 2 0 586.820 7.221 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261147794 717179250 /nfs/dbraw/zinc/17/92/50/717179250.db2.gz OFVCLEVYGVDROK-NAGBALJGSA-N 2 0 572.793 6.831 1 5 KKBFRP CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C ZINC000004245691 561694612 /nfs/dbraw/zinc/69/46/12/561694612.db2.gz VXUVVFFRFRITPE-UHFFFAOYSA-N 2 0 556.792 6.762 1 5 KKBFRP Cc1ccc(S(=O)(=O)N(CCCC[NH2+]CCCC[NH3+])Cc2c3ccccc3cc3ccccc32)cc1 ZINC000013522126 561717204 /nfs/dbraw/zinc/71/72/04/561717204.db2.gz IHLDTDMPOWPHOD-UHFFFAOYSA-N 2 0 503.712 5.601 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cccc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000025985122 561764162 /nfs/dbraw/zinc/76/41/62/561764162.db2.gz AADHZGMETRYWFS-UHFFFAOYSA-N 2 0 704.956 7.651 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2ccccc2C1=O ZINC000025987186 561764352 /nfs/dbraw/zinc/76/43/52/561764352.db2.gz CRXYGJUBYBTJCZ-UHFFFAOYSA-N 2 0 598.788 5.225 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O ZINC000025988722 561764423 /nfs/dbraw/zinc/76/44/23/561764423.db2.gz OPDMWAUCOIPRLB-UHFFFAOYSA-N 2 0 684.722 6.110 1 5 KKBFRP CC(C)S[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1SC(C)C ZINC000026252536 561774419 /nfs/dbraw/zinc/77/44/19/561774419.db2.gz RHOPQBSQHLIFIT-XPSQVAKYSA-N 2 0 669.058 8.072 1 5 KKBFRP CC(C)O[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC(C)C ZINC000026273973 561777730 /nfs/dbraw/zinc/77/77/30/561777730.db2.gz CSNFZDMXWPEAMV-MAZIBIHTSA-N 2 0 636.922 6.639 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCC[N+](C)(C)C)[C@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027208285 561846411 /nfs/dbraw/zinc/84/64/11/561846411.db2.gz WMFWHCRTHYQHGI-HHHXNRCGSA-O 2 0 553.686 7.324 1 5 KKBFRP [NH3+]CCCCC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027638167 561874886 /nfs/dbraw/zinc/87/48/86/561874886.db2.gz JIVXBRHPEIGKDV-INKHBPHZSA-N 2 0 516.476 7.210 1 5 KKBFRP CC[NH+](CC)CC/[NH+]=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639332 561874925 /nfs/dbraw/zinc/87/49/25/561874925.db2.gz QETMIYRHIXHGJK-MHTZHOPKSA-N 2 0 530.503 7.423 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]\CCC[NH2+]C2CCCCC2)cc1 ZINC000027645201 561875679 /nfs/dbraw/zinc/87/56/79/561875679.db2.gz GSQLWBMUOOECLI-OZMGXUMRSA-N 2 0 501.678 7.087 1 5 KKBFRP C[C@H]1CCCC[N@@H+]1CCC/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027649758 561876436 /nfs/dbraw/zinc/87/64/36/561876436.db2.gz ABZPBRVAFRXTLY-DVLQHGRISA-N 2 0 501.678 7.039 1 5 KKBFRP O[C@@H](COc1ccc(C(c2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1)C[NH+]1CCCCC1 ZINC000028529596 561934377 /nfs/dbraw/zinc/93/43/77/561934377.db2.gz ZLFYLYMXBQDSTJ-LQFQNGICSA-N 2 0 658.883 7.624 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCC ZINC000029306683 562011709 /nfs/dbraw/zinc/01/17/09/562011709.db2.gz JLRNPSMEKJAHJA-MDGOIVNYSA-N 2 0 732.743 6.955 1 5 KKBFRP COc1c(OC)c2ssc3c(CC[NH+](C)C)c(SC)c(OC)c(OC)c3sc2c(CC[NH+](C)C)c1SC ZINC000043552814 562649680 /nfs/dbraw/zinc/64/96/80/562649680.db2.gz MGWYCLOYGLKCFF-UHFFFAOYSA-N 2 0 602.935 6.988 1 5 in-vitro KKBFRP c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCCN1CCN(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000049605294 562665639 /nfs/dbraw/zinc/66/56/39/562665639.db2.gz POXPKRSMXGZORP-UHFFFAOYSA-N 2 0 580.820 7.577 1 5 KKBFRP CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]3(Cc4ccccc4)CCC4(CC3)[NH2+]CCc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000049627424 562667495 /nfs/dbraw/zinc/66/74/95/562667495.db2.gz DLGPWOJRFLRLLR-DRBXNAFSSA-N 2 0 725.825 9.126 1 5 KKBFRP COc1ccccc1C[NH2+]CCCCCn1c(=O)c2ccc3c(=O)n(CCCCC[NH2+]Cc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34 ZINC000049694647 562669595 /nfs/dbraw/zinc/66/95/95/562669595.db2.gz MPZOJQQVVUKZBA-UHFFFAOYSA-N 2 0 676.814 5.003 1 5 KKBFRP CCc1c2ccc(n2)c(-c2ccc(OC)c(C[N+](C)(C)C)c2)c2ccc(n2)c(CC)c2ccc([nH]2)c(-c2ccc(OC)c(C[N+](C)(C)C)c2)c2ccc1[nH]2 ZINC000049707834 562670838 /nfs/dbraw/zinc/67/08/38/562670838.db2.gz IFAPNIGKLDYAGU-UHFFFAOYSA-N 2 0 722.978 9.758 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3c(N)ccc(c32)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3c(N)ccc(c32)C1=O ZINC000049784151 562683486 /nfs/dbraw/zinc/68/34/86/562683486.db2.gz ZRZYJKQIJCPZNO-UHFFFAOYSA-P 2 0 734.986 6.815 1 5 KKBFRP C[N+](C)(CCCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049785834 562684164 /nfs/dbraw/zinc/68/41/64/562684164.db2.gz MREXRMPUAWLMNS-UHFFFAOYSA-N 2 0 718.983 8.329 1 5 KKBFRP Cc1cc(NCCC[NH+]2CCCC2)c2ccc3c(ccc4c(NCCC[NH+]5CCCC5)cc(C)nc43)c2n1 ZINC000071317887 562718330 /nfs/dbraw/zinc/71/83/30/562718330.db2.gz UDKROEZHHZBTCJ-UHFFFAOYSA-N 2 0 510.730 6.349 1 5 KKBFRP CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc32)[nH+]c2ccc(NCCCCCCCC[NH3+])cn21 ZINC000095560779 562763148 /nfs/dbraw/zinc/76/31/48/562763148.db2.gz QFZCZRKHVMVAFN-UHFFFAOYSA-N 2 0 507.726 8.229 1 5 KKBFRP CC1(C)c2ccccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccccc2C1(C)C ZINC000095562505 562763734 /nfs/dbraw/zinc/76/37/34/562763734.db2.gz LKCRIYWVOLBWJU-UHFFFAOYSA-N 3 0 555.875 7.050 1 5 KKBFRP CC1(C)c2cc(Br)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C(Br)=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Br)cc2C1(C)C ZINC000095562566 562763744 /nfs/dbraw/zinc/76/37/44/562763744.db2.gz ZTGUDDGBFMVGSP-UHFFFAOYSA-N 3 0 792.563 9.297 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OCC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC ZINC000095611973 562785222 /nfs/dbraw/zinc/78/52/22/562785222.db2.gz FBMLVNDXALQUNW-PUMHPJKESA-N 2 0 746.770 7.346 1 5 KKBFRP Cc1cccc2ccc3c4c(c5ccc6cccc(C)c6c5c3c12)C(=O)N(CCC[NH2+]CCCC[NH2+]CCC[NH3+])C4=O ZINC000096934622 562803858 /nfs/dbraw/zinc/80/38/58/562803858.db2.gz OFOJXXYHHUTTHU-UHFFFAOYSA-N 3 0 560.742 6.211 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCC[N@H+](C)[C@H](c2ccccc2)C2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000169297215 562852506 /nfs/dbraw/zinc/85/25/06/562852506.db2.gz TWNAUTMQNPBBFJ-NXQBBBIXSA-N 2 0 561.679 6.640 1 5 KKBFRP CC(C)(CN1C(=O)c2cccc3cccc(c32)C1=O)C[N+](C)(C)CCCCCC[N@+]1(C)[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000299832884 562886021 /nfs/dbraw/zinc/88/60/21/562886021.db2.gz UKDFFUWYVUWORH-VWVMHJRVSA-N 2 0 697.917 5.545 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299838377 562887839 /nfs/dbraw/zinc/88/78/39/562887839.db2.gz QGSQQXRDJMSVIF-SURLOUDSSA-N 2 0 527.716 7.429 1 5 KKBFRP c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=[NH+]/C[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299839963 562888367 /nfs/dbraw/zinc/88/83/67/562888367.db2.gz UESKUWXHNZXCQX-MNALCFIGSA-N 2 0 513.689 7.039 1 5 KKBFRP Nc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])cc3)c3ccc2[nH]3)cc1 ZINC000299866792 562894733 /nfs/dbraw/zinc/89/47/33/562894733.db2.gz PJPPKIZWEIJLRB-QNGWXLTQSA-N 2 0 772.957 10.515 1 5 KKBFRP CC[NH+](CC)CCC[C@H](C)Nc1cc(Cl)cc2nc3c4ccccc4n(CC[NH+]4CCCC4)c3cc21 ZINC000299871371 562895692 /nfs/dbraw/zinc/89/56/92/562895692.db2.gz YHAYHZIXMISXOG-QFIPXVFZSA-N 2 0 506.138 7.014 1 5 KKBFRP Cn1c2cc(=[NH2+])ccc-2c2ccc(N)cc2c1-c1cccc(OCCCCCCCCCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=[NH2+])cc-4n3C)c2)c1 ZINC000377819877 562896114 /nfs/dbraw/zinc/89/61/14/562896114.db2.gz DAWKOMSECZQNCW-UHFFFAOYSA-N 2 0 769.006 10.916 1 5 KKBFRP CC(=O)O[C@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([NH+]5CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000169446808 717156511 /nfs/dbraw/zinc/15/65/11/717156511.db2.gz BGSZAXLLHYERSY-AIQXKTNRSA-N 2 0 557.840 5.966 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103465 717169824 /nfs/dbraw/zinc/16/98/24/717169824.db2.gz SCZOPTBMQBAZQB-AXRJLGSNSA-N 2 0 642.928 8.781 1 5 KKBFRP CC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000017611657 717113207 /nfs/dbraw/zinc/11/32/07/717113207.db2.gz GVEAYVLWDAFXET-WAFUZQRUSA-N 2 0 572.875 6.111 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049792794 717130553 /nfs/dbraw/zinc/13/05/53/717130553.db2.gz GSNBFVUNURCXIQ-PPSFMLEKSA-N 2 0 586.820 7.221 1 5 KKBFRP COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N+](C)(C)[C@@H]4C2)CC[N+]1(C)C ZINC000085838786 717137320 /nfs/dbraw/zinc/13/73/20/717137320.db2.gz CAKZYCHSLAJXSM-ROJLCIKYSA-O 2 0 652.832 7.032 1 5 KKBFRP OC/C=C1/C[N+]2([C@@H]3C=CCCC3)CC[C@H]3[C@@H]2C[C@@H]1C1=CN2c4ccccc4[C@@]45CC[N+]6([C@@H]7C=CCCC7)CC7=CCO[C@H]([C@@H]([C@H]24)[C@H]7C[C@@H]56)N(c2ccccc2)[C@@H]13 ZINC000169289649 717154989 /nfs/dbraw/zinc/15/49/89/717154989.db2.gz JMUQZICSXGDWKN-FLGOTREOSA-N 2 0 749.056 7.782 1 5 KKBFRP C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782535 717168425 /nfs/dbraw/zinc/16/84/25/717168425.db2.gz SMOUFAGGAGLPGE-KFHGCFCWSA-N 2 0 600.847 7.611 1 5 KKBFRP CC[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H]1CC[C@](C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[N@@+]4(C)CC)(c3ccccc3)c3ccccc31)C2 ZINC000253951835 717169352 /nfs/dbraw/zinc/16/93/52/717169352.db2.gz LIIILPIXOYWUHW-MRLVOQADSA-N 2 0 600.844 6.256 3 5 KKBFRP CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@]21C ZINC000008035020 561704307 /nfs/dbraw/zinc/70/43/07/561704307.db2.gz GVEAYVLWDAFXET-ITBVKLPXSA-N 2 0 572.875 6.111 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2cc3ccccc3cc2C1=O ZINC000025988351 561764511 /nfs/dbraw/zinc/76/45/11/561764511.db2.gz LNNJCBYIEFFKSH-UHFFFAOYSA-N 2 0 648.848 6.379 1 5 KKBFRP CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O ZINC000025990770 561764672 /nfs/dbraw/zinc/76/46/72/561764672.db2.gz VVQYOXPNQNWTMG-UHFFFAOYSA-N 2 0 660.944 6.667 1 5 KKBFRP C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)CCCN1C(=O)c2ccccc2C1=O ZINC000025990716 561764721 /nfs/dbraw/zinc/76/47/21/561764721.db2.gz RQFWJKXRIVLGMF-MLXMBTCJSA-N 2 0 676.902 5.668 1 5 KKBFRP C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc3cc4ccc(NC(=O)CC[N@H+]5CCC[C@H](C)C5)cc4nc3c2)C1 ZINC000026498551 561794836 /nfs/dbraw/zinc/79/48/36/561794836.db2.gz JGEGKUSUCAFTEW-ZRZAMGCNSA-N 2 0 515.702 5.509 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCCCCCC[N+](C)(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027200923 561845253 /nfs/dbraw/zinc/84/52/53/561845253.db2.gz OELJDZHXQRKFMR-LJAQVGFWSA-O 2 0 581.740 8.104 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCCCCCCC[N+](C)(C)C)[C@@H](c2ccccc2C(F)(F)F)C1C(=O)OC ZINC000027202622 561845483 /nfs/dbraw/zinc/84/54/83/561845483.db2.gz IEWMHZPNNRJVRZ-VWLOTQADSA-O 2 0 525.632 6.544 1 5 KKBFRP CC[NH+](CC)CCC[C@@H](C)/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027645687 561875774 /nfs/dbraw/zinc/87/57/74/561875774.db2.gz LQLJAOGIPMPZKH-VPQBCZDGSA-N 2 0 503.694 7.285 1 5 KKBFRP O[C@@H](COc1ccc(C(c2ccc(OC[C@H](O)C[NH+]3CCCC3)cc2)c2cc3ccccc3c3ccccc32)cc1)C[NH+]1CCCC1 ZINC000028529173 561933738 /nfs/dbraw/zinc/93/37/38/561933738.db2.gz ADGSCFWBRFHBMB-KKLWWLSJSA-N 2 0 630.829 6.844 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)O[C@H](C)C[N@H+](C)C[C@@H]2COc3ccccc3O2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC(C)C ZINC000029204282 562004883 /nfs/dbraw/zinc/00/48/83/562004883.db2.gz XICJUBHECCAKFW-VZAMCCPMSA-N 2 0 579.650 5.325 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCOC(=O)C2C(=C)[NH2+]C(=C)C(C(=O)OC(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OCC ZINC000029306679 562011701 /nfs/dbraw/zinc/01/17/01/562011701.db2.gz JLRNPSMEKJAHJA-AQCNDXCVSA-N 2 0 732.743 6.955 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCC[NH+]2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC ZINC000029341039 562015279 /nfs/dbraw/zinc/01/52/79/562015279.db2.gz YSPOTMDNGADFCJ-YPEQYFKQSA-N 2 0 609.723 6.858 1 5 KKBFRP CN1CC[NH+](CCCNc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C(=O)Nc6ccc(NCCC[NH+]7CCN(C)CC7)cc6)c5[nH]c34)cc2)CC1 ZINC000049677733 562668303 /nfs/dbraw/zinc/66/83/03/562668303.db2.gz XZKYCKRKFIARCE-UHFFFAOYSA-N 2 0 743.957 5.285 1 5 KKBFRP O=C(Nc1ccc(NCCC[NH+]2CCCC2)cc1)c1cccc2c(=O)c3cccc(C(=O)Nc4ccc(NCCC[NH+]5CCCC5)cc4)c3[nH]c12 ZINC000049678548 562668567 /nfs/dbraw/zinc/66/85/67/562668567.db2.gz WPINXPBXRLIQMF-UHFFFAOYSA-N 2 0 685.873 6.982 1 5 KKBFRP C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049783925 562683290 /nfs/dbraw/zinc/68/32/90/562683290.db2.gz QTZKNTSFDHWYLT-UHFFFAOYSA-N 2 0 676.902 7.159 1 5 KKBFRP C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c32)C1=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000049784017 562683402 /nfs/dbraw/zinc/68/34/02/562683402.db2.gz VTIOUTSYOXJUJW-UHFFFAOYSA-N 2 0 704.956 7.939 1 5 KKBFRP Cc1c2cc(NC(=O)NCCCCCCCCCNC(=O)Nc3ccc4c5ccccc5[n+](C)c(C)c4c3)ccc2c2ccccc2[n+]1C ZINC000058582241 562699919 /nfs/dbraw/zinc/69/99/19/562699919.db2.gz VLNIICZQVONPLG-UHFFFAOYSA-P 2 0 656.875 8.239 1 5 KKBFRP CC1(C)c2cc(Br)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Br)cc2C1(C)C ZINC000095557816 562762236 /nfs/dbraw/zinc/76/22/36/562762236.db2.gz BPEANJYGVIVBPO-UHFFFAOYSA-N 3 0 713.667 8.575 1 5 KKBFRP C[C@H]1CCCC[NH+]1CCC(=O)Nc1ccc2[nH]c3ccc(NC(=O)CC[N@H+]4CCCC[C@@H]4C)cc3c(=O)c2c1 ZINC000095606616 562782232 /nfs/dbraw/zinc/78/22/32/562782232.db2.gz AUEWEHMRNGTAAA-VXKWHMMOSA-N 2 0 531.701 5.500 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)C[C@H](CCC[NH3+])[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1 ZINC000095606980 562782552 /nfs/dbraw/zinc/78/25/52/562782552.db2.gz QITHTRJZTFUQEO-MHZLTWQESA-N 2 0 762.825 5.203 1 5 KKBFRP COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CC[N@H+]2C)OCO4)cc1 ZINC000161474585 562849187 /nfs/dbraw/zinc/84/91/87/562849187.db2.gz BWMIXNFPFRIESN-LQJZCPKCSA-N 2 0 697.849 6.939 1 5 KKBFRP COc1ccc2nc3c(c2c1)c(C)c1cn(CC[NH+]2CCC(C4CC[NH+](CCn5ccc6c(C)c7nc8ccc(OC)cc8c7c(C)c6c5)CC4)CC2)ccc1c3C ZINC000377807472 562896006 /nfs/dbraw/zinc/89/60/06/562896006.db2.gz XNFONPRVWSBSOS-UHFFFAOYSA-N 2 0 773.038 10.374 1 5 KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049784092 717130503 /nfs/dbraw/zinc/13/05/03/717130503.db2.gz IDKSCGSLZJPHGN-WWYIKPKFSA-N 2 0 614.874 8.001 1 5 KKBFRP CC[N+](C)(CC)CCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCCC[N+](C)(CC)CC)[C@H]1c1ccccc1 ZINC000100372402 717143337 /nfs/dbraw/zinc/14/33/37/717143337.db2.gz AXCRPLDEOCHBJD-HRDPQUPSSA-N 2 0 552.800 5.639 1 5 in-man KKBFRP C/C=C1/C[N@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C/C(=C/CO)[C@@H]6C[C@@H]12 ZINC000255246694 717171692 /nfs/dbraw/zinc/17/16/92/717171692.db2.gz NLSOXOHKAPJYOZ-UNFMQPARSA-N 2 0 598.835 5.391 1 5 KKBFRP CC[C@@H]1C[N@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@@+]2(C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822473 717180808 /nfs/dbraw/zinc/18/08/08/717180808.db2.gz IPWNRZCTXLPXCU-JNBOQQQKSA-N 2 0 602.867 5.551 1 5 KKBFRP CC[C@@H]1C[N@@+]2(C)CC[C@]34c5ccccc5N5C=C6[C@@H]7N(C=C([C@H]53)[C@H]1C[C@@H]42)c1ccccc1[C@@]71CC[N@+]2(C)C[C@@H](CCO)[C@@H]6C[C@@H]12 ZINC000299822459 717180923 /nfs/dbraw/zinc/18/09/23/717180923.db2.gz IPWNRZCTXLPXCU-AUUCUIAMSA-N 2 0 602.867 5.551 1 5 KKBFRP COc1cc2c3c(c1O)Oc1cccc(c1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3[N+](C)(C)CC2 ZINC000008035425 561704437 /nfs/dbraw/zinc/70/44/37/561704437.db2.gz MZTXBESCVZFFQE-FQLXRVMXSA-O 2 0 609.743 6.701 1 5 KKBFRP C=C1[NH2+]C(=C)C(C(=O)OCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OC ZINC000019685795 561758527 /nfs/dbraw/zinc/75/85/27/561758527.db2.gz XVIXARVAOCTOLU-PLMWSYFISA-N 2 0 610.711 5.793 3 5 in-vivo KKBFRP CN1CC[NH+](CCCCNc2cc3c4ccccc4c(NCCCC[NH+]4CCN(C)CC4)cc3c3ccccc23)CC1 ZINC000022860074 561759560 /nfs/dbraw/zinc/75/95/60/561759560.db2.gz AKBSDCTWRWPRQD-UHFFFAOYSA-N 2 0 566.838 6.025 1 5 KKBFRP Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c43)C1=O)C2=O ZINC000025991185 561764723 /nfs/dbraw/zinc/76/47/23/561764723.db2.gz XOSQFQXSYLNQAA-UHFFFAOYSA-N 2 0 640.869 6.170 1 5 KKBFRP CCO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OCC ZINC000026252549 561774363 /nfs/dbraw/zinc/77/43/63/561774363.db2.gz DBSCEDCAWDDZPW-TYHGNQNSSA-N 2 0 608.868 5.862 1 5 KKBFRP O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CCC[NH2+]CCC[NH2+]CCCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000027520745 561863730 /nfs/dbraw/zinc/86/37/30/561863730.db2.gz SJLDCYXKABNRSN-UHFFFAOYSA-N 2 0 648.763 6.541 1 5 KKBFRP O=C1c2cccc3cc4ccccc4c(c32)C(=O)N1CC[NH2+]CCCCC[NH2+]CCN1C(=O)c2cccc3cc4ccccc4c(c32)C1=O ZINC000027521649 561864139 /nfs/dbraw/zinc/86/41/39/561864139.db2.gz MWWJJXMLIVMYCR-UHFFFAOYSA-N 2 0 648.763 6.541 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CCC[NH+]2CCCCC2)cc1 ZINC000027638578 561874907 /nfs/dbraw/zinc/87/49/07/561874907.db2.gz KBZKPZZHGMIHHJ-AWQADKOQSA-N 2 0 556.541 7.957 1 5 KKBFRP Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=[NH+]\CC2CC[NH2+]CC2)cc1 ZINC000027642915 561875540 /nfs/dbraw/zinc/87/55/40/561875540.db2.gz HWPSUHHVDHSIFZ-JJNGWGCYSA-N 2 0 528.487 7.081 1 5 KKBFRP C[C@@H]1CCCC[N@@H+]1CCC/[NH+]=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027649753 561876425 /nfs/dbraw/zinc/87/64/25/561876425.db2.gz ABZPBRVAFRXTLY-KXHAFNDUSA-N 2 0 501.678 7.039 1 5 KKBFRP C[NH+]1CCN(CCC/[NH+]=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)CC1 ZINC000027650868 561876517 /nfs/dbraw/zinc/87/65/17/561876517.db2.gz VBQPNSQLLRXQEE-PJJLUWSFSA-N 2 0 502.666 5.412 1 5 KKBFRP C[NH+]1CCN(CCC/[NH+]=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027651121 561876549 /nfs/dbraw/zinc/87/65/49/561876549.db2.gz QIPZIPLPVFJFHF-AWQADKOQSA-N 2 0 571.556 6.719 1 5 KKBFRP C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000029042725 561991582 /nfs/dbraw/zinc/99/15/82/561991582.db2.gz PKERJUIAPINEEV-UHFFFAOYSA-N 2 0 646.960 8.132 1 5 KKBFRP CC[NH+](CC)CCOc1cc([N+](=O)[O-])c2cc3cc([N+](=O)[O-])c(OCC[NH+](CC)CC)c(Cl)c3nc2c1Cl ZINC000029463283 562023530 /nfs/dbraw/zinc/02/35/30/562023530.db2.gz RRZYQHPMUCUKIS-UHFFFAOYSA-N 2 0 568.458 5.952 1 5 KKBFRP C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/C)c7ccccc7N7C=C([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000008234262 560207830 /nfs/dbraw/zinc/20/78/30/560207830.db2.gz DWELRYDMYVJVSL-HQGZIADHSA-N 2 0 596.819 6.104 1 5 in-vitro KKBFRP O=C(CCC[NH+]1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CCC[NH+]4CCCCC4)c3nc21 ZINC000045301127 562660464 /nfs/dbraw/zinc/66/04/64/562660464.db2.gz GQRJHPWTSHKLBR-UHFFFAOYSA-N 2 0 543.756 5.153 1 5 KKBFRP Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCC(C[NH2+]CC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082175519 562741613 /nfs/dbraw/zinc/74/16/13/562741613.db2.gz ZLXDPWWEAZJLEG-UHFFFAOYSA-N 2 0 721.772 5.099 1 5 KKBFRP COc1ccc2[nH]c3c(c2c1)c1cc(NCC[NH+]2CCC(C4CC[NH+](CCNc5ccc6cc(C)c7[nH]c8ccc(OC)cc8c7c6c5)CC4)CC2)ccc1cc3C ZINC000095537918 562754432 /nfs/dbraw/zinc/75/44/32/562754432.db2.gz HZNGTORMNFQYNK-UHFFFAOYSA-N 2 0 773.038 10.844 1 5 KKBFRP Cc1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095539922 562755384 /nfs/dbraw/zinc/75/53/84/562755384.db2.gz QYEHWNHYRNHXIW-UHFFFAOYSA-N 2 0 759.014 12.548 1 5 KKBFRP C[N+](C)(C)c1c2ccc(n2)c(-c2ccc([N+](C)(C)C)cc2)c2ccc([nH]2)c(-c2ccc([N+](C)(C)C)cc2)c2ccc([nH]2)c(-c2ccc([N+](C)(C)C)cc2)c2ccc1n2 ZINC000095540054 562755493 /nfs/dbraw/zinc/75/54/93/562755493.db2.gz KHUDTSFSTYEACZ-UHFFFAOYSA-N 4 0 771.070 10.658 1 5 KKBFRP CC1(C)c2cc(Cl)ccc2[N+](CCC[N+](C)(C)C)=C1/C=C/C=C/C=C1/N(CCC[N+](C)(C)C)c2ccc(Cl)cc2C1(C)C ZINC000095559354 562762705 /nfs/dbraw/zinc/76/27/05/562762705.db2.gz YLYYYINYOUGNCJ-UHFFFAOYSA-N 3 0 624.765 8.356 1 5 KKBFRP COc1ccc2cc3[n+](cc2c1OCC[N@H+](CCn1cncc1[N+](=O)[O-])Cc1ccc(Cl)cc1)CCc1cc2c(cc1-3)OCO2 ZINC000096926850 562802356 /nfs/dbraw/zinc/80/23/56/562802356.db2.gz AOHMZPSNDMVWLV-UHFFFAOYSA-N 2 0 629.093 5.427 1 5 KKBFRP [NH3+]C1CC[N+](Cc2ccccc2)(C(=O)[C@H](C(=O)NCc2cccc(C(F)(F)F)c2)N2C(=O)[C@@H](N3C(=O)OC[C@@H]3c3ccccc3)[C@H]2/C=C/c2ccccc2)CC1 ZINC000150564025 562844953 /nfs/dbraw/zinc/84/49/53/562844953.db2.gz FVCBAAGJGGQNHN-HIDKIDMFSA-O 2 0 766.841 5.841 1 5 KKBFRP CC[C@H]1C2=Cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)=C4C3=[NH+]C(=Cc4[nH]c(c(C(C)=O)c4C)C=C([NH2+]2)[C@@H]1C)[C@@H](C)[C@@H]3CCC(=O)OCC[N+](C)(C)C ZINC000150600372 562847123 /nfs/dbraw/zinc/84/71/23/562847123.db2.gz WAMSIMOWFJYGCK-INSGPNAFSA-O 3 0 696.869 6.801 1 5 KKBFRP NC(=[NH2+])c1ccc(OCc2cc(COc3ccc([N+](=O)[O-])cc3)cc(COc3ccc(C(N)=[NH2+])cc3Cl)c2)c(Cl)c1 ZINC000169318695 562856098 /nfs/dbraw/zinc/85/60/98/562856098.db2.gz JMUOVWSZURAOCN-UHFFFAOYSA-N 2 0 594.455 6.207 1 5 KKBFRP C[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@+]3(C)CCCC[C@@H]3C)ccc1-2 ZINC000253635810 562882270 /nfs/dbraw/zinc/88/22/70/562882270.db2.gz CXZOGLKSWHZXDY-ZKFJGPHPSA-P 2 0 546.756 5.593 1 5 KKBFRP Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=[NH+]/C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000299839218 562888097 /nfs/dbraw/zinc/88/80/97/562888097.db2.gz RYXSQFQJAOQSNC-BYHIWNHZSA-N 2 0 541.743 7.656 1 5 KKBFRP CC[NH+](CC)CCOc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+](CC)CC)c3cc21 ZINC000299862322 562893588 /nfs/dbraw/zinc/89/35/88/562893588.db2.gz JLWSWBSECAOWNF-UHFFFAOYSA-N 2 0 501.502 6.712 1 5 KKBFRP CC[NH+](CC)CCC[C@@H](C)Nc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+]4CCCC4)c3cc21 ZINC000299867272 562894867 /nfs/dbraw/zinc/89/48/67/562894867.db2.gz QBIHPELGIBUVTI-OAQYLSRUSA-N 2 0 540.583 7.668 1 5 KKBFRP CC[NH+](CC)CCCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+]4CCCC4)c3cc21 ZINC000299867264 562894834 /nfs/dbraw/zinc/89/48/34/562894834.db2.gz QAVWMHQPLFWQOV-UHFFFAOYSA-N 2 0 512.529 6.889 1 5 KKBFRP CC[NH+](CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CC[NH+](CC)CC)c3cc21 ZINC000299869386 562895313 /nfs/dbraw/zinc/89/53/13/562895313.db2.gz UPGDREIYOIKSSE-UHFFFAOYSA-N 2 0 500.518 6.745 1 5 KKBFRP CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113185 562898742 /nfs/dbraw/zinc/89/87/42/562898742.db2.gz HTSMDVRAOTZYSQ-ZYIRWWKFSA-N 2 0 726.919 7.263 1 5 KKBFRP COc1c(OCCCC[NH+](C)C)cc2oc3cc(OCCCC[NH+](C)C)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000653707148 562907868 /nfs/dbraw/zinc/90/78/68/562907868.db2.gz GICZLRZQOXBFED-UHFFFAOYSA-N 2 0 612.852 7.279 1 5 KKBFRP COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000085530353 565135960 /nfs/dbraw/zinc/13/59/60/565135960.db2.gz WMLUIAYRBBKAJC-KYJUHHDHSA-O 2 0 623.770 7.004 1 5 biogenic,in-vitro KKBFRP C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000049783950 717130557 /nfs/dbraw/zinc/13/05/57/717130557.db2.gz OFVCLEVYGVDROK-SRRNOTSXSA-N 2 0 572.793 6.831 1 5 KKBFRP CC[C@H]1C[N+]23CCc4c5ccc(O)c(-c6c7c(ccc6O)[nH]c6c7CC[N+]78CC[C@H](C[C@@H]67)[C@@H](CC)C8)c5[nH]c4[C@@H]2C[C@H]1CC3 ZINC000238757094 717162762 /nfs/dbraw/zinc/16/27/62/717162762.db2.gz PWMGBUDMHKMHEC-IBJBXCNNSA-P 2 0 592.828 7.455 1 5 KKBFRP CC[C@@H]1CCCC[N@+]1(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N@@+]3(C)CCCC[C@@H]3CC)ccc1-2 ZINC000253694658 717168014 /nfs/dbraw/zinc/16/80/14/717168014.db2.gz UXGPPDHCFWEFPK-ULCVPOTPSA-P 2 0 574.810 6.373 1 5 KKBFRP