smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587353 561720658 /nfs/dbraw/zinc/72/06/58/561720658.db2.gz HSMBIOOZBSGLTB-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2Cl)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587360 561720681 /nfs/dbraw/zinc/72/06/81/561720681.db2.gz NMLGTGOKSLHKRQ-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)ccc2Cl)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587358 561720685 /nfs/dbraw/zinc/72/06/85/561720685.db2.gz YBYDQOIAYNOCOH-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CCC(CO)CC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000014164601 561737227 /nfs/dbraw/zinc/73/72/27/561737227.db2.gz HOXZKLJQMVOWCB-SSEXGKCCSA-N 1 2 586.618 5.759 1 30 KKEFLO CCCCCCCN(CCCCCSc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]1)c1[nH]c2ccccc2[nH+]1 ZINC000014277842 561739002 /nfs/dbraw/zinc/73/90/02/561739002.db2.gz PSLGAOQUNMQKFT-UHFFFAOYSA-N 1 2 611.856 9.377 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCC[NH+]5CCOCC5)cc4cc32)c(C)cc1Cl ZINC000014945436 561743092 /nfs/dbraw/zinc/74/30/92/561743092.db2.gz CWCOWPZQFWSBMR-UHFFFAOYSA-N 1 2 533.028 5.693 1 30 KKEFLO N#Cc1ccc(C(=O)[C@H](Nc2ccc(Cl)cc2)N[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000025980437 561763831 /nfs/dbraw/zinc/76/38/31/561763831.db2.gz DJTIBRWKPJKQCE-AOYPEHQESA-N 1 2 524.839 6.367 1 30 KKEFLO Cc1c(C)c(-c2ccc(-c3ccc([NH+]=C(N)c4ccccn4)c(C)c3C)o2)ccc1NC(=N)c1ccccn1 ZINC000026173300 561770409 /nfs/dbraw/zinc/77/04/09/561770409.db2.gz ORYRSYGHKRNTJO-UHFFFAOYSA-N 1 2 514.633 6.711 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026577211 561801244 /nfs/dbraw/zinc/80/12/44/561801244.db2.gz ICBYHXVUZSOVQZ-XOHYTFRVSA-N 1 2 652.958 7.617 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027318443 561852180 /nfs/dbraw/zinc/85/21/80/561852180.db2.gz IGCORMDACWRGMB-HKBQPEDESA-N 1 2 630.026 7.054 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(I)c1 ZINC000027319882 561852454 /nfs/dbraw/zinc/85/24/54/561852454.db2.gz ZLNNDPISKMQXCE-RUZDIDTESA-N 1 2 595.828 5.093 1 30 KKEFLO O=C(c1ccccc1)n1cc(/C=C2\C[N@H+](Cc3ccccc3)CCC2=O)c2cc(OCc3ccccc3)ccc21 ZINC000027324312 561853260 /nfs/dbraw/zinc/85/32/60/561853260.db2.gz BOXCQHQPHVOSDN-TWKHWXDSSA-N 1 2 526.636 6.767 1 30 KKEFLO O=C(c1ccccc1)n1cc(/C=C2\C[N@@H+](Cc3ccccc3)CCC2=O)c2cc(OCc3ccccc3)ccc21 ZINC000027324312 561853262 /nfs/dbraw/zinc/85/32/62/561853262.db2.gz BOXCQHQPHVOSDN-TWKHWXDSSA-N 1 2 526.636 6.767 1 30 KKEFLO C(=NNC1=NCc2ccccc2CN1)c1c2ccccc2c(C=NNC2=[NH+]Cc3ccccc3CN2)c2ccccc12 ZINC000027560196 561870431 /nfs/dbraw/zinc/87/04/31/561870431.db2.gz MVHOLXBZVJNGOE-NJHHXWHYSA-N 1 2 550.670 5.159 1 30 KKEFLO C=CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027994796 561893635 /nfs/dbraw/zinc/89/36/35/561893635.db2.gz QTBUASCHFZLYLO-CYEXUTLASA-N 1 2 688.616 5.397 1 30 KKEFLO COC(=O)c1ccc(CO[C@H](c2c[nH+]cn2C)c2ccc(C#N)c(-c3ccccc3C(F)(F)F)c2)nc1 ZINC000028336703 561913451 /nfs/dbraw/zinc/91/34/51/561913451.db2.gz DZXNOBGIMAGUSX-VWLOTQADSA-N 1 2 506.484 5.465 1 30 KKEFLO CC(=O)N1CCN(c2nc(CO[C@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)CC1 ZINC000028353094 561915744 /nfs/dbraw/zinc/91/57/44/561915744.db2.gz WRKNSZOZSIBSSM-PMERELPUSA-N 1 2 599.617 5.219 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NC[C@H]2CCCO2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352663 561915798 /nfs/dbraw/zinc/91/57/98/561915798.db2.gz WISKOZINSNUMIP-GIGWZHCTSA-N 1 2 572.591 6.141 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353384 561915910 /nfs/dbraw/zinc/91/59/10/561915910.db2.gz UHRAFDSLBQHPNH-RUZDIDTESA-N 1 2 516.350 7.591 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NC[C@H]2CCOC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353275 561915971 /nfs/dbraw/zinc/91/59/71/561915971.db2.gz ZYGWLFYJQXFHHX-ACSYHNTCSA-N 1 2 572.591 5.999 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2cccc(Cl)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028378674 561919699 /nfs/dbraw/zinc/91/96/99/561919699.db2.gz ZNCWTFCMFYQTSV-WJOKGBTCSA-N 1 2 555.465 6.782 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3ccc(Cl)cc3)c2)CC1 ZINC000028641975 561943337 /nfs/dbraw/zinc/94/33/37/561943337.db2.gz FGFJRXLUHTZULT-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccc(Cl)cc5)c4)n[nH]c2-3)CC1 ZINC000028641975 561943338 /nfs/dbraw/zinc/94/33/38/561943338.db2.gz FGFJRXLUHTZULT-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccc(Cl)cc5)c4)n[nH]c2-3)CC1 ZINC000028641975 561943339 /nfs/dbraw/zinc/94/33/39/561943339.db2.gz FGFJRXLUHTZULT-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3ccc(Cl)cc3)c2)CC1 ZINC000028641975 561943340 /nfs/dbraw/zinc/94/33/40/561943340.db2.gz FGFJRXLUHTZULT-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3ccccc3Cl)c2)CC1 ZINC000028641966 561943366 /nfs/dbraw/zinc/94/33/66/561943366.db2.gz IQWDSXALWDOBBP-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5Cl)c4)n[nH]c2-3)CC1 ZINC000028641966 561943368 /nfs/dbraw/zinc/94/33/68/561943368.db2.gz IQWDSXALWDOBBP-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5Cl)c4)n[nH]c2-3)CC1 ZINC000028641966 561943369 /nfs/dbraw/zinc/94/33/69/561943369.db2.gz IQWDSXALWDOBBP-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3ccccc3Cl)c2)CC1 ZINC000028641966 561943371 /nfs/dbraw/zinc/94/33/71/561943371.db2.gz IQWDSXALWDOBBP-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO Cc1ccc(OCC#Cc2cc(-c3[nH]nc4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)cs2)cc1C ZINC000028642149 561943514 /nfs/dbraw/zinc/94/35/14/561943514.db2.gz WONXMHQMFAYOEG-UHFFFAOYSA-N 1 2 508.691 5.504 1 30 KKEFLO Cc1ccc(OCC#Cc2cc(-c3n[nH]c4c3Cc3cc(CN5CC[NH+](C)CC5)ccc3-4)cs2)cc1C ZINC000028642149 561943516 /nfs/dbraw/zinc/94/35/16/561943516.db2.gz WONXMHQMFAYOEG-UHFFFAOYSA-N 1 2 508.691 5.504 1 30 KKEFLO Cc1ccc(OCC#Cc2cc(-c3n[nH]c4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)cs2)cc1C ZINC000028642149 561943519 /nfs/dbraw/zinc/94/35/19/561943519.db2.gz WONXMHQMFAYOEG-UHFFFAOYSA-N 1 2 508.691 5.504 1 30 KKEFLO Cc1ccc(OCC#Cc2cc(-c3[nH]nc4c3Cc3cc(C[NH+]5CCN(C)CC5)ccc3-4)cs2)cc1C ZINC000028642149 561943520 /nfs/dbraw/zinc/94/35/20/561943520.db2.gz WONXMHQMFAYOEG-UHFFFAOYSA-N 1 2 508.691 5.504 1 30 KKEFLO Cc1ccc(/C=C2\CN(C(=O)c3ccc(OCC[NH+]4CCOCC4)cc3)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000028643773 561944245 /nfs/dbraw/zinc/94/42/45/561944245.db2.gz CXSCPLNEGXETAA-KZOHAVLASA-N 1 2 536.672 5.207 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc2c(c1)CCCC2 ZINC000029212250 562005924 /nfs/dbraw/zinc/00/59/24/562005924.db2.gz DRVXNKXBSICBHX-UHFFFAOYSA-N 1 2 552.078 5.976 1 30 KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([NH2+]Cc1c[nH+]cn1Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029229068 562009051 /nfs/dbraw/zinc/00/90/51/562009051.db2.gz LVJWJCSHBVDKJR-VVHWOMEHSA-N 1 2 621.826 6.883 1 30 KKEFLO N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1c[nH+]cn1C2 ZINC000029488408 562028791 /nfs/dbraw/zinc/02/87/91/562028791.db2.gz QIQWUVXAQGNSCR-PSXMRANNSA-N 1 2 589.699 7.314 1 30 KKEFLO CC[N@H+](Cc1nnc[nH]1)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000036324411 562055359 /nfs/dbraw/zinc/05/53/59/562055359.db2.gz LODDXUXHYQZBEM-LMIIYESCSA-N 1 2 544.515 6.896 1 30 KKEFLO CC[N@@H+](Cc1nnc[nH]1)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000036324411 562055361 /nfs/dbraw/zinc/05/53/61/562055361.db2.gz LODDXUXHYQZBEM-LMIIYESCSA-N 1 2 544.515 6.896 1 30 KKEFLO CC[N@H+](Cc1nc[nH]n1)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000036324411 562055362 /nfs/dbraw/zinc/05/53/62/562055362.db2.gz LODDXUXHYQZBEM-LMIIYESCSA-N 1 2 544.515 6.896 1 30 KKEFLO CC[N@@H+](Cc1nc[nH]n1)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000036324411 562055364 /nfs/dbraw/zinc/05/53/64/562055364.db2.gz LODDXUXHYQZBEM-LMIIYESCSA-N 1 2 544.515 6.896 1 30 KKEFLO CCCCCCCCCCCCc1cn([C@H](C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)c[nH+]1 ZINC000036331516 562056661 /nfs/dbraw/zinc/05/66/61/562056661.db2.gz HVJJIHHEOAANCE-HKBQPEDESA-N 1 2 535.729 7.600 1 30 KKEFLO Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(/C=C/C[NH+]4CCOCC4)ccc32)cc1Cl ZINC000040413516 562075462 /nfs/dbraw/zinc/07/54/62/562075462.db2.gz KZDAIKQVGILBGU-NSCUHMNNSA-N 1 2 517.058 5.734 1 30 KKEFLO CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O ZINC000043845761 562651008 /nfs/dbraw/zinc/65/10/08/562651008.db2.gz XRUTWQBVIZYXDA-UHFFFAOYSA-N 1 2 548.665 7.083 1 30 KKEFLO N#CC(CCSC(=S)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000044031972 562651702 /nfs/dbraw/zinc/65/17/02/562651702.db2.gz KCCAXTNRANZZLV-YTTGMZPUSA-N 1 2 582.238 7.965 1 30 KKEFLO C[C@H](Cc1ccc(Cl)cc1)Nc1nc(N2CCC(C#N)(c3ccccc3)CC2)nc(NC2CCCC2)[nH+]1 ZINC000045190302 562658463 /nfs/dbraw/zinc/65/84/63/562658463.db2.gz IJLOEMOCCAATOK-OAQYLSRUSA-N 1 2 516.093 5.984 1 30 KKEFLO C[C@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)[nH+]c(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000045190302 562658464 /nfs/dbraw/zinc/65/84/64/562658464.db2.gz IJLOEMOCCAATOK-OAQYLSRUSA-N 1 2 516.093 5.984 1 30 KKEFLO C[C@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)nc(N2CCC(C#N)(c3ccccc3)CC2)[nH+]1 ZINC000045190302 562658465 /nfs/dbraw/zinc/65/84/65/562658465.db2.gz IJLOEMOCCAATOK-OAQYLSRUSA-N 1 2 516.093 5.984 1 30 KKEFLO C[C@H](NC(=O)C(C)(C)Nc1[nH+]c2ccccc2n1C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000045245883 562659772 /nfs/dbraw/zinc/65/97/72/562659772.db2.gz TWPADGGONVLYSH-YADARESESA-N 1 2 500.046 5.820 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4cc(C[NH+]5CCOCC5)ccn4)ccc32)c(Cl)cc1Cl ZINC000045254144 562659859 /nfs/dbraw/zinc/65/98/59/562659859.db2.gz JFPHXXPTMCJYJL-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000049710772 562671819 /nfs/dbraw/zinc/67/18/19/562671819.db2.gz KUZZNRQQBYKDNM-UHFFFAOYSA-N 1 2 589.161 6.766 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049757159 562675614 /nfs/dbraw/zinc/67/56/14/562675614.db2.gz PKWNWFPSJKRBRB-KMEUWFIYSA-N 1 2 699.896 6.769 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049757159 562675615 /nfs/dbraw/zinc/67/56/15/562675615.db2.gz PKWNWFPSJKRBRB-KMEUWFIYSA-N 1 2 699.896 6.769 1 30 KKEFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC(F)(F)F)Cc4ccc(F)cc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777046 562679575 /nfs/dbraw/zinc/67/95/75/562679575.db2.gz BUQUCECJSJBYFY-UHFFFAOYSA-N 1 2 560.945 7.816 1 30 KKEFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC(F)(F)F)Cc4ccc(F)cc4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777046 562679576 /nfs/dbraw/zinc/67/95/76/562679576.db2.gz BUQUCECJSJBYFY-UHFFFAOYSA-N 1 2 560.945 7.816 1 30 KKEFLO N#Cc1ccc(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(C(F)(F)F)cc6[nH]5)s4)c3)CC2)nc1 ZINC000049780370 562681695 /nfs/dbraw/zinc/68/16/95/562681695.db2.gz BOILLRUZCGOCNX-UHFFFAOYSA-N 1 2 544.606 6.566 1 30 KKEFLO COc1ccc([C@@](C#N)(CCC[N@@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)N(O)C2(C)C)C(C)C)cc1OC ZINC000049780677 562682093 /nfs/dbraw/zinc/68/20/93/562682093.db2.gz SOPNFKUTUHHEAI-PGUFJCEWSA-N 1 2 577.810 6.952 1 30 KKEFLO COc1ccc([C@@](C#N)(CCC[N@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)N(O)C2(C)C)C(C)C)cc1OC ZINC000049780677 562682094 /nfs/dbraw/zinc/68/20/94/562682094.db2.gz SOPNFKUTUHHEAI-PGUFJCEWSA-N 1 2 577.810 6.952 1 30 KKEFLO N#Cc1c(-c2cccc(NC(=O)CC[NH3+])c2)cc(-c2cc(Cl)ccc2O)nc1NC(=O)c1cccs1 ZINC000049803438 562686106 /nfs/dbraw/zinc/68/61/06/562686106.db2.gz DTJMNATYCITOOF-UHFFFAOYSA-N 1 2 517.998 5.247 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccccc1Cl ZINC000053224078 562696538 /nfs/dbraw/zinc/69/65/38/562696538.db2.gz UNMKLZBYJNBEEK-UHFFFAOYSA-N 1 2 532.431 5.751 1 30 KKEFLO N#Cc1c(NC(=O)c2ccco2)nc(-c2ccc(F)cc2O)cc1-c1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000053294651 562697254 /nfs/dbraw/zinc/69/72/54/562697254.db2.gz RSYNYLIYCFUNTG-IBGZPJMESA-N 1 2 525.540 5.058 1 30 KKEFLO C=C(CO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H]([NH2+]Cc6ccc7c(c6)OCO7)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058583867 562700145 /nfs/dbraw/zinc/70/01/45/562700145.db2.gz ZEAZBNWVIIXFJZ-JNLDGDHFSA-N 1 2 591.877 7.496 1 30 KKEFLO CCCCCCCCCCCCCCNC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064549826 562708131 /nfs/dbraw/zinc/70/81/31/562708131.db2.gz WCEWEHAENWMHCO-DEOSSOPVSA-N 1 2 556.767 6.277 1 30 KKEFLO COc1cc(C(=O)/C=C/c2cccs2)cc(C[NH+]2CCN(c3ccc(C(=O)/C=C/c4cccs4)cc3)CC2)c1O ZINC000066078817 562710525 /nfs/dbraw/zinc/71/05/25/562710525.db2.gz WVLJABYJHCOJBO-DCIPZJNNSA-N 1 2 570.736 6.638 1 30 KKEFLO Cc1ccc(OC(C)C)c(-c2ccc(N3CCC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)CC3)[nH+]c2)c1 ZINC000066099288 562711038 /nfs/dbraw/zinc/71/10/38/562711038.db2.gz RFVZHLFBZOOMGX-UHFFFAOYSA-N 1 2 627.789 8.294 1 30 KKEFLO Cc1cccc(-c2ccc(N3CCC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)CC3)[nH+]c2)c1 ZINC000066104423 562711696 /nfs/dbraw/zinc/71/16/96/562711696.db2.gz SBRJMGVDMGKNPW-UHFFFAOYSA-N 1 2 569.709 7.507 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3cccc4ccccc43)CC[C@H]2c2ccccc2)cc1 ZINC000066113913 562712278 /nfs/dbraw/zinc/71/22/78/562712278.db2.gz VERAKJTYRLGDQH-XIFFEERXSA-N 1 2 525.656 6.046 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3cccc4ccccc43)CC[C@H]2c2ccccc2)cc1 ZINC000066113913 562712279 /nfs/dbraw/zinc/71/22/79/562712279.db2.gz VERAKJTYRLGDQH-XIFFEERXSA-N 1 2 525.656 6.046 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3cccc4ccccc43)CC[C@H]2c2ccccc2)cc1 ZINC000066113913 562712280 /nfs/dbraw/zinc/71/22/80/562712280.db2.gz VERAKJTYRLGDQH-XIFFEERXSA-N 1 2 525.656 6.046 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3cccc4ccccc43)CC[C@@H]2c2ccccc2)cc1 ZINC000066113916 562712306 /nfs/dbraw/zinc/71/23/06/562712306.db2.gz VERAKJTYRLGDQH-MGBGTMOVSA-N 1 2 525.656 6.046 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3cccc4ccccc43)CC[C@@H]2c2ccccc2)cc1 ZINC000066113916 562712307 /nfs/dbraw/zinc/71/23/07/562712307.db2.gz VERAKJTYRLGDQH-MGBGTMOVSA-N 1 2 525.656 6.046 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3cccc4ccccc43)CC[C@@H]2c2ccccc2)cc1 ZINC000066113916 562712308 /nfs/dbraw/zinc/71/23/08/562712308.db2.gz VERAKJTYRLGDQH-MGBGTMOVSA-N 1 2 525.656 6.046 1 30 KKEFLO Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)[nH+]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000068014174 562715681 /nfs/dbraw/zinc/71/56/81/562715681.db2.gz KIWPQCODGUAEAZ-IBGZPJMESA-N 1 2 674.683 6.644 1 30 KKEFLO CCCCCCCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109369 562721635 /nfs/dbraw/zinc/72/16/35/562721635.db2.gz LHYFRMJXPCQWQP-UUWRZZSWSA-N 1 2 602.617 9.671 1 30 KKEFLO O=C(C(=Cc1ccccc1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084729290 562751487 /nfs/dbraw/zinc/75/14/87/562751487.db2.gz GZRGMWFROZQNMH-NTKWTVBFSA-N 1 2 538.434 8.290 1 30 KKEFLO CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000095536932 562754269 /nfs/dbraw/zinc/75/42/69/562754269.db2.gz IFEBRKNPVNWNCI-PKEMSFBGSA-N 1 2 751.657 7.270 1 30 KKEFLO CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1N ZINC000095548645 562759358 /nfs/dbraw/zinc/75/93/58/562759358.db2.gz TWHRRLUJIDFFQP-QXUSSCGESA-N 1 2 753.945 5.445 1 30 KKEFLO CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1N ZINC000095548645 562759359 /nfs/dbraw/zinc/75/93/59/562759359.db2.gz TWHRRLUJIDFFQP-QXUSSCGESA-N 1 2 753.945 5.445 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000095562358 562763690 /nfs/dbraw/zinc/76/36/90/562763690.db2.gz JPFZLPCINWHUKQ-ILFWFZRHSA-N 1 2 646.836 7.219 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000095562358 562763691 /nfs/dbraw/zinc/76/36/91/562763691.db2.gz JPFZLPCINWHUKQ-ILFWFZRHSA-N 1 2 646.836 7.219 1 30 KKEFLO Cc1ccc(N=C2C(=O)N(CCCn3cc[nH+]c3)[C@@H](c3ccc(Br)cc3)C2C(=O)c2ccccc2)cc1 ZINC000095572271 562769385 /nfs/dbraw/zinc/76/93/85/562769385.db2.gz IEWLZIRJPPQRJH-NDEPHWFRSA-N 1 2 555.476 6.177 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(OC(F)(F)F)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095573306 562769646 /nfs/dbraw/zinc/76/96/46/562769646.db2.gz STFLGQLEVBUXEK-HHHXNRCGSA-N 1 2 625.445 6.767 1 30 KKEFLO CC(C)[NH+]1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095583111 562772812 /nfs/dbraw/zinc/77/28/12/562772812.db2.gz ZCYBDVYHGHYXRA-UHFFFAOYSA-N 1 2 555.085 5.390 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000095585602 562773653 /nfs/dbraw/zinc/77/36/53/562773653.db2.gz ARZVFLDZHIIOCM-OAQYLSRUSA-N 1 2 601.632 5.255 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000095585602 562773654 /nfs/dbraw/zinc/77/36/54/562773654.db2.gz ARZVFLDZHIIOCM-OAQYLSRUSA-N 1 2 601.632 5.255 1 30 KKEFLO C[NH+](C)CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095585869 562773734 /nfs/dbraw/zinc/77/37/34/562773734.db2.gz NRXBYNUFPLVXJR-UHFFFAOYSA-N 1 2 562.599 5.052 1 30 KKEFLO O=C(C[C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000095586707 562774036 /nfs/dbraw/zinc/77/40/36/562774036.db2.gz CAGSYCPJEBZNQR-AMURHSJLSA-N 1 2 612.557 6.594 1 30 KKEFLO O=C(C[C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000095586707 562774037 /nfs/dbraw/zinc/77/40/37/562774037.db2.gz CAGSYCPJEBZNQR-AMURHSJLSA-N 1 2 612.557 6.594 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@@H]2C)CC[N@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCc2ccccc2)c2cccnc2)c1)C3 ZINC000095612230 562785333 /nfs/dbraw/zinc/78/53/33/562785333.db2.gz RFMBHTGKFFEZJO-BZUMKLMNSA-N 1 2 784.386 8.839 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@@H]2C)CC[N@@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCc2ccccc2)c2cccnc2)c1)C3 ZINC000095612230 562785334 /nfs/dbraw/zinc/78/53/34/562785334.db2.gz RFMBHTGKFFEZJO-BZUMKLMNSA-N 1 2 784.386 8.839 1 30 KKEFLO N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc43)nc(N3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000150587991 562845944 /nfs/dbraw/zinc/84/59/44/562845944.db2.gz QEDTXKBIJYHOLR-HKBQPEDESA-N 1 2 694.121 7.806 1 30 KKEFLO CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)[C@@H]([NH3+])Cc5ccccc5)CC[C@@]34C)[C@@H]2C1 ZINC000169350324 562862752 /nfs/dbraw/zinc/86/27/52/562862752.db2.gz YSJHTFGZBULHSD-ZTQKKLPLSA-N 1 2 645.925 8.012 1 30 KKEFLO Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)[nH+]c2cc(C(=O)NCC(F)(F)C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703092 562868609 /nfs/dbraw/zinc/86/86/09/562868609.db2.gz HTUKIAFGLQRDLS-UHFFFAOYSA-N 1 2 660.418 6.857 1 30 KKEFLO N#CCc1cc(NC(=O)NCC(F)(F)F)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704754 562869114 /nfs/dbraw/zinc/86/91/14/562869114.db2.gz GHWBSPGYOUUIRU-UHFFFAOYSA-N 1 2 519.409 5.227 1 30 KKEFLO COc1cc(F)c(C(C)C)cc1-c1c[nH+]c(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709059 562870342 /nfs/dbraw/zinc/87/03/42/562870342.db2.gz XTGSGBXFQNIZMO-PNIUZAESSA-N 1 2 625.585 8.520 1 30 KKEFLO O=C1c2ccccc2[C@]2(O)N3C[C@]4(C(=O)/C(=C/c5ccc(Cl)cc5Cl)C3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]3CCC[N@@H+]3[C@@]124 ZINC000195146523 562871532 /nfs/dbraw/zinc/87/15/32/562871532.db2.gz WCYKPGNFWKUWHB-QGHVKTEDSA-N 1 2 626.367 6.611 1 30 KKEFLO O=C1c2ccccc2[C@]2(O)N3C[C@]4(C(=O)/C(=C/c5ccc(Cl)cc5Cl)C3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]3CCC[N@H+]3[C@@]124 ZINC000195146523 562871533 /nfs/dbraw/zinc/87/15/33/562871533.db2.gz WCYKPGNFWKUWHB-QGHVKTEDSA-N 1 2 626.367 6.611 1 30 KKEFLO Cn1c[nH+]cc1[C@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1 ZINC000299835525 562886880 /nfs/dbraw/zinc/88/68/80/562886880.db2.gz WHRLSFGQEUBSBY-WJOKGBTCSA-N 1 2 590.569 5.186 1 30 KKEFLO COc1ccc(-c2cc3cc([C@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836683 562887280 /nfs/dbraw/zinc/88/72/80/562887280.db2.gz OKTMYWNHECFWLC-SSEXGKCCSA-N 1 2 590.720 7.616 1 30 KKEFLO CC[C@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299837897 562887704 /nfs/dbraw/zinc/88/77/04/562887704.db2.gz SOOQECYEPMHRLA-MQFAKOPTSA-N 1 2 664.799 8.023 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[N@@H+]4CCCC[C@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691236 562906748 /nfs/dbraw/zinc/90/67/48/562906748.db2.gz MAYAWDJAGLJSLO-HXUWFJFHSA-N 1 2 562.642 5.610 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[N@H+]4CCCC[C@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691236 562906749 /nfs/dbraw/zinc/90/67/49/562906749.db2.gz MAYAWDJAGLJSLO-HXUWFJFHSA-N 1 2 562.642 5.610 1 30 KKEFLO CCOC(=O)c1sc(NCc2cn(Cc3ccc(C#N)cc3)c[nH+]2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693442 562906865 /nfs/dbraw/zinc/90/68/65/562906865.db2.gz OCIAXDFXJLRUGA-UHFFFAOYSA-N 1 2 501.999 5.845 1 30 KKEFLO COC(=O)[C@H](CCSC)NC(=O)c1sc(N(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653799340 562913239 /nfs/dbraw/zinc/91/32/39/562913239.db2.gz MCTONJSVTAANAV-NDEPHWFRSA-N 1 2 719.289 7.023 1 30 KKEFLO N#Cc1c(N(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)Cc2c[nH+]cn2Cc2ccc(C#N)cc2)sc(C(=O)[O-])c1-c1ccc(Cl)cc1 ZINC000653805780 562913637 /nfs/dbraw/zinc/91/36/37/562913637.db2.gz NFHAGKFJPZENCA-UHFFFAOYSA-N 1 2 669.170 7.078 1 30 KKEFLO CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@H](CO)C[C@H](Cc5ccc[nH]5)c5cc[nH+]c(N)c5)c4)C[C@@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 ZINC000085631837 565165200 /nfs/dbraw/zinc/16/52/00/565165200.db2.gz UYGKPLJXJUCKBO-VLGPHZHGSA-N 1 2 638.829 5.631 1 30 biogenic,in-vitro KKEFLO C[C@@H]1C#Cc2cc(N)[nH+]cc2CO[C@H](C[C@H](O)CCc2cc(OC3CCCCC3)c(O)cc2CO)CCC1 ZINC000085628530 291983434 /nfs/dbraw/zinc/98/34/34/291983434.db2.gz JMQIWWNCCBTDEK-OEQAEZTDSA-N 1 2 522.686 5.014 1 30 biogenic,in-vitro KKEFLO Cn1c[nH+]cc1[C@@H](OCc1nc(N2CCOCC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000013489608 561715877 /nfs/dbraw/zinc/71/58/77/561715877.db2.gz RTLDRWAPUHCBNP-NDEPHWFRSA-N 1 2 525.012 5.022 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2Cl)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587359 561720662 /nfs/dbraw/zinc/72/06/62/561720662.db2.gz NMLGTGOKSLHKRQ-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4csc(C[NH+]5CCOCC5)c4)ccc32)c(Cl)cc1Cl ZINC000014945309 561742966 /nfs/dbraw/zinc/74/29/66/561742966.db2.gz MJWMGHXTMYDJKH-UHFFFAOYSA-N 1 2 525.461 6.726 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4cc(C[NH+]5CCOCC5)cs4)ccc32)c(Cl)cc1Cl ZINC000014945313 561743035 /nfs/dbraw/zinc/74/30/35/561743035.db2.gz VAXLTFLSPGOPNO-UHFFFAOYSA-N 1 2 525.461 6.726 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCC[NH+]5CCOCC5)cc4cc32)c(Cl)cc1Cl ZINC000014945438 561743133 /nfs/dbraw/zinc/74/31/33/561743133.db2.gz YCQZJQGHFXBTSP-UHFFFAOYSA-N 1 2 553.446 6.038 1 30 KKEFLO N#CN=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000025979674 561763823 /nfs/dbraw/zinc/76/38/23/561763823.db2.gz QTGGFCDESWTBBI-GOSISDBHSA-N 1 2 535.279 6.508 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc(C(F)(F)F)cc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026575861 561799583 /nfs/dbraw/zinc/79/95/83/561799583.db2.gz APNQNNYXRNUXIN-MMZFVREHSA-N 1 2 545.557 7.108 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OC[C@H](OC)c2ccccc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576729 561800559 /nfs/dbraw/zinc/80/05/59/561800559.db2.gz CKUOMENNSDBZLX-UOFWBIDFSA-N 1 2 521.613 6.277 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OC[C@H](OC)c2ccccc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576730 561800591 /nfs/dbraw/zinc/80/05/91/561800591.db2.gz CKUOMENNSDBZLX-RUHULHNWSA-N 1 2 521.613 6.277 1 30 KKEFLO CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCC[NH+]6CCOCC6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]12 ZINC000026971418 561830460 /nfs/dbraw/zinc/83/04/60/561830460.db2.gz XFRTZQVQSDWZBI-PWIUGNACSA-N 1 2 582.870 5.776 1 30 KKEFLO CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000028113730 561903422 /nfs/dbraw/zinc/90/34/22/561903422.db2.gz QDGDKZPMYPEBOC-RMKNXTFCSA-N 1 2 598.103 6.308 1 30 KKEFLO CC(C)(C)OC(=O)NCCCCC[NH+]=C1Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028365463 561917556 /nfs/dbraw/zinc/91/75/56/561917556.db2.gz BMCLTRZPRHKBKB-DHUJRADRSA-N 1 2 631.821 8.084 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2cccc(C#N)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028370647 561918335 /nfs/dbraw/zinc/91/83/35/561918335.db2.gz XLADCPZMAAXJBZ-JGCGQSQUSA-N 1 2 546.030 6.000 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2ccccc2C#N)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028373712 561918779 /nfs/dbraw/zinc/91/87/79/561918779.db2.gz AVUINSKBUODDHF-YTTGMZPUSA-N 1 2 546.030 6.000 1 30 KKEFLO CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@@H](C)CC/C=C/NC(=O)OCC[NH+]2CCOCC2)oc1=O ZINC000028456278 561923839 /nfs/dbraw/zinc/92/38/39/561923839.db2.gz OLIIPZMNWDUVQC-CDFOVOGKSA-N 1 2 530.662 5.067 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(C)[nH+]c(C)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643668 561944109 /nfs/dbraw/zinc/94/41/09/561944109.db2.gz ZSNIKHPLUXNEGI-QDUCUNFFSA-N 1 2 586.839 5.936 1 30 KKEFLO CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(=O)[nH]2)c1O)C(=O)CC[NH+]1CCOCC1 ZINC000028821581 561966427 /nfs/dbraw/zinc/96/64/27/561966427.db2.gz XRIKNQGWIFGWFZ-UHFFFAOYSA-N 1 2 609.432 5.705 1 30 KKEFLO C[C@@H](O[C@H]1CC[C@@H]([N@H+](C)Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036324395 562055389 /nfs/dbraw/zinc/05/53/89/562055389.db2.gz PLGYHEQJCJPPSA-SINHWUCRSA-N 1 2 546.487 5.799 1 30 KKEFLO C[C@@H](O[C@H]1CC[C@@H]([N@@H+](C)Cc2n[nH]c(=O)[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036324395 562055390 /nfs/dbraw/zinc/05/53/90/562055390.db2.gz PLGYHEQJCJPPSA-SINHWUCRSA-N 1 2 546.487 5.799 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(C#Cc4cccc(CC[NH+]5CCN(C)CC5)n4)c(OC)cc32)c(Cl)cc1Cl ZINC000037858226 562061816 /nfs/dbraw/zinc/06/18/16/562061816.db2.gz BQGPIRQVPRBUNB-UHFFFAOYSA-N 1 2 601.538 5.759 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000038153078 562067525 /nfs/dbraw/zinc/06/75/25/562067525.db2.gz CUKBELAHMLXBPS-PDDLMNHVSA-N 1 2 520.824 7.785 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000038153088 562067546 /nfs/dbraw/zinc/06/75/46/562067546.db2.gz VGCQRSCCCHQFKI-DGPALRBDSA-N 1 2 517.824 7.726 1 30 KKEFLO CC(C)CC[C@H]1CC[C@@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)OCc2c[nH+]c(N)cc2C#C[C@@H]1C ZINC000085628559 560068614 /nfs/dbraw/zinc/06/86/14/560068614.db2.gz HPRZRPMLHISQCT-RFFGMOBISA-N 1 2 562.795 7.184 1 30 biogenic,in-vitro KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1[NH2+][C@H](c2ccc(N(C)C)cc2)SC1(C)C ZINC000043470092 562648659 /nfs/dbraw/zinc/64/86/59/562648659.db2.gz VTBCKHCSCWRIRR-VEEOACQBSA-N 1 2 531.895 8.613 1 30 KKEFLO CCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000044086559 562652226 /nfs/dbraw/zinc/65/22/26/562652226.db2.gz LBAVWEQYTULVAB-YTMVLYRLSA-N 1 2 503.797 7.336 1 30 KKEFLO C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(N2CCC(C#N)(c3ccccc3)CC2)nc(NC2CCCC2)[nH+]1 ZINC000045190299 562658432 /nfs/dbraw/zinc/65/84/32/562658432.db2.gz IJLOEMOCCAATOK-NRFANRHFSA-N 1 2 516.093 5.984 1 30 KKEFLO C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)[nH+]c(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000045190299 562658433 /nfs/dbraw/zinc/65/84/33/562658433.db2.gz IJLOEMOCCAATOK-NRFANRHFSA-N 1 2 516.093 5.984 1 30 KKEFLO C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)nc(N2CCC(C#N)(c3ccccc3)CC2)[nH+]1 ZINC000045190299 562658434 /nfs/dbraw/zinc/65/84/34/562658434.db2.gz IJLOEMOCCAATOK-NRFANRHFSA-N 1 2 516.093 5.984 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ncccc4C[NH+]4CCOCC4)ccc32)c(Cl)cc1Cl ZINC000045259556 562659975 /nfs/dbraw/zinc/65/99/75/562659975.db2.gz SGKXSEUCWQOCNC-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NS(C)(=O)=O)cc2)[NH2+]1 ZINC000049766402 562677033 /nfs/dbraw/zinc/67/70/33/562677033.db2.gz KXHZFCQTMXYUMW-AHKZPQOWSA-N 1 2 525.825 6.359 1 30 KKEFLO CCCCCCCCC#CCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049766850 562677249 /nfs/dbraw/zinc/67/72/49/562677249.db2.gz XGSFALNOTOFELL-IGYGKHONSA-N 1 2 527.819 7.340 1 30 KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000049767101 562677357 /nfs/dbraw/zinc/67/73/57/562677357.db2.gz AJUYYBJMLMXVMO-GISQEACYSA-N 1 2 548.834 7.570 1 30 KKEFLO CCOC(=O)NN1CC[NH+](CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1 ZINC000049823057 562686956 /nfs/dbraw/zinc/68/69/56/562686956.db2.gz YIRCDSJPEAFJMU-UHFFFAOYSA-N 1 2 693.274 6.544 1 30 KKEFLO Cc1cc(C)c(C[NH2+][C@]2(CCC(C)(C)C)c3ccccc3C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)C2=O)c(C)c1 ZINC000049889132 562691794 /nfs/dbraw/zinc/69/17/94/562691794.db2.gz ZSWLKWVVIOMROC-UUWRZZSWSA-N 1 2 664.850 5.859 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc(Cl)cc1 ZINC000053045221 562696153 /nfs/dbraw/zinc/69/61/53/562696153.db2.gz AEDBQLIKQOBMCK-UHFFFAOYSA-N 1 2 532.431 5.751 1 30 KKEFLO CC[NH+](CC)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053295414 562697338 /nfs/dbraw/zinc/69/73/38/562697338.db2.gz JDTXXJRWRQWNSQ-UHFFFAOYSA-N 1 2 541.583 5.648 1 30 KKEFLO CC[C@@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)[NH+](CC)CC ZINC000053299145 562697544 /nfs/dbraw/zinc/69/75/44/562697544.db2.gz BXTVJJPJKSYGAH-QHCPKHFHSA-N 1 2 569.637 6.426 1 30 KKEFLO C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccc(/C(N)=[NH+]/O)cc3)cc2)O1 ZINC000064361560 562704828 /nfs/dbraw/zinc/70/48/28/562704828.db2.gz RBJXAJZPNPXNKT-YTTGMZPUSA-N 1 2 597.697 5.183 1 30 KKEFLO COc1cc(C(=O)/C=C/c2ccccc2)cc(C[NH+]2CCN(c3ccc(C(=O)/C=C/c4ccccc4)cc3)CC2)c1O ZINC000066066556 562709402 /nfs/dbraw/zinc/70/94/02/562709402.db2.gz GJCGUSDHKGQGHO-KLCVKJMQSA-N 1 2 558.678 6.515 1 30 KKEFLO CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccc(-c6ccccc6)c[nH+]5)CC4)cc3)oc21 ZINC000066103766 562711620 /nfs/dbraw/zinc/71/16/20/562711620.db2.gz MZNTVTSBOKBKLG-UHFFFAOYSA-N 1 2 555.682 7.198 1 30 KKEFLO Cc1ccc(-c2ccc(N3CCC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)CC3)[nH+]c2)cc1 ZINC000066104420 562711689 /nfs/dbraw/zinc/71/16/89/562711689.db2.gz JULCZXWWHUKDAS-UHFFFAOYSA-N 1 2 569.709 7.507 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CC[C@@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124435 562712692 /nfs/dbraw/zinc/71/26/92/562712692.db2.gz CSRCFUQWRZLMBX-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CC[C@@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124435 562712693 /nfs/dbraw/zinc/71/26/93/562712693.db2.gz CSRCFUQWRZLMBX-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CC[C@@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124435 562712694 /nfs/dbraw/zinc/71/26/94/562712694.db2.gz CSRCFUQWRZLMBX-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000068106907 562715800 /nfs/dbraw/zinc/71/58/00/562715800.db2.gz AATUFOXFWPLFGG-OVVQPSECSA-N 1 2 628.520 5.404 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(C(=O)OCC[NH+]3CCOCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000071294718 562716994 /nfs/dbraw/zinc/71/69/94/562716994.db2.gz NACXBOKTVBUMAR-IFDXBLLESA-N 1 2 585.870 5.853 1 30 KKEFLO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109346 562721633 /nfs/dbraw/zinc/72/16/33/562721633.db2.gz BGYFHQXKGLEUNH-RVXBEXOSSA-N 1 2 699.650 6.934 1 30 KKEFLO CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)OC(c6ccccc6)c6ccccc6)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1[NH3+] ZINC000072147711 562729822 /nfs/dbraw/zinc/72/98/22/562729822.db2.gz CZQYFCGOKWXLID-URSBUWNLSA-N 1 2 635.933 9.627 1 30 KKEFLO CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2N=CC2C(=O)[O+]=NN2c2ccccc2)cc1 ZINC000084671418 562748562 /nfs/dbraw/zinc/74/85/62/562748562.db2.gz PDTYWUBVPUFPCU-AREMUKBSSA-O 1 2 623.807 5.397 1 30 KKEFLO CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2N=CC2C(=O)[O+]=NN2c2ccccc2)cc1 ZINC000084671419 562748597 /nfs/dbraw/zinc/74/85/97/562748597.db2.gz PDTYWUBVPUFPCU-SANMLTNESA-O 1 2 623.807 5.397 1 30 KKEFLO CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000095537339 562754342 /nfs/dbraw/zinc/75/43/42/562754342.db2.gz OLBBOELLFMGABP-PXPDPYKBSA-N 1 2 821.776 8.948 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)OC)cc1 ZINC000095548655 562759346 /nfs/dbraw/zinc/75/93/46/562759346.db2.gz WMYKYNOZLFIJJE-MXVPUGLGSA-N 1 2 782.983 5.841 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)OC)cc1 ZINC000095548655 562759347 /nfs/dbraw/zinc/75/93/47/562759347.db2.gz WMYKYNOZLFIJJE-MXVPUGLGSA-N 1 2 782.983 5.841 1 30 KKEFLO CCCCCCNC(=O)Oc1ccc(C[C@@H]2CN(Cc3c[nH+]cn3C)c3ccc(C#N)cc3CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095557233 562762031 /nfs/dbraw/zinc/76/20/31/562762031.db2.gz HGCSBLLHUYZWLK-SSEXGKCCSA-N 1 2 670.836 5.791 1 30 in-vitro KKEFLO O=C(c1ccccc1)C1C(=Nc2cccc(Br)c2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095572855 562769513 /nfs/dbraw/zinc/76/95/13/562769513.db2.gz FNKZHZBNIPGIHZ-HHHXNRCGSA-N 1 2 620.345 6.631 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095576844 562770753 /nfs/dbraw/zinc/77/07/53/562770753.db2.gz VFTWARKXUXUFHZ-HHHXNRCGSA-N 1 2 541.449 5.868 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@H]2C)CC[N@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCCCc2cccnc2)c2cccnc2)c1)C3 ZINC000095612214 562785345 /nfs/dbraw/zinc/78/53/45/562785345.db2.gz IYXZHKJXXANYCY-SCDYFFJUSA-N 1 2 813.428 8.666 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@H]2C)CC[N@@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCCCc2cccnc2)c2cccnc2)c1)C3 ZINC000095612214 562785346 /nfs/dbraw/zinc/78/53/46/562785346.db2.gz IYXZHKJXXANYCY-SCDYFFJUSA-N 1 2 813.428 8.666 1 30 KKEFLO Cc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2C)C1=O ZINC000096269754 562793034 /nfs/dbraw/zinc/79/30/34/562793034.db2.gz LJWWVVOSSRGRSB-HUPMBETNSA-N 1 2 592.139 6.167 1 30 KKEFLO Cc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2C)C1=O ZINC000096269754 562793035 /nfs/dbraw/zinc/79/30/35/562793035.db2.gz LJWWVVOSSRGRSB-HUPMBETNSA-N 1 2 592.139 6.167 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272744 562794184 /nfs/dbraw/zinc/79/41/84/562794184.db2.gz JZDQHICPIIMFPG-DULVZOJKSA-N 1 2 542.704 5.988 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272744 562794185 /nfs/dbraw/zinc/79/41/85/562794185.db2.gz JZDQHICPIIMFPG-DULVZOJKSA-N 1 2 542.704 5.988 1 30 KKEFLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)[NH2+]CCCCC/C=C\c1cc3c(ccnc3O2)cc1OC)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000096903095 562797778 /nfs/dbraw/zinc/79/77/78/562797778.db2.gz RKRSRZRRJLZOSN-YRVYUYHYSA-N 1 2 705.922 5.658 1 30 KKEFLO O=C(O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21)C1CC1 ZINC000101932940 562812358 /nfs/dbraw/zinc/81/23/58/562812358.db2.gz DLFVBYYVVMWKON-MUGXBBEHSA-N 1 2 554.448 5.405 1 30 KKEFLO O=C1C(=O)N(CCCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccc(F)cc21 ZINC000103265149 562822119 /nfs/dbraw/zinc/82/21/19/562822119.db2.gz DKKNDBHQNIKPRL-XJECJHNESA-N 1 2 598.038 5.654 1 30 KKEFLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OCCCn3cc[nH+]c3)cc1)C2=O ZINC000118921530 562831012 /nfs/dbraw/zinc/83/10/12/562831012.db2.gz PVPPGNZQUXFCNG-YWWWKBSYSA-N 1 2 500.683 6.238 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2cccc(O)c2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310108 562854658 /nfs/dbraw/zinc/85/46/58/562854658.db2.gz WUUXFXIVCKKOQE-MUUNZHRXSA-N 1 2 578.673 5.052 1 30 KKEFLO N#CCCSC1=[NH+][C@@H](c2cc3cc(Cl)ccc3nc2Cl)C=C(c2ccc(Br)cc2)N1 ZINC000169328354 562858321 /nfs/dbraw/zinc/85/83/21/562858321.db2.gz RPYPZCHFPQFPQV-HXUWFJFHSA-N 1 2 518.267 6.992 1 30 KKEFLO COC(=O)C[C@H]([NH3+])C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)OC)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000169350670 562862878 /nfs/dbraw/zinc/86/28/78/562862878.db2.gz UZHMMHKXNWQRCX-QBFWGTNXSA-N 1 2 613.836 5.942 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CC(F)(F)C3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c1Cl ZINC000169701074 562867923 /nfs/dbraw/zinc/86/79/23/562867923.db2.gz WKOYCYOBMPPCRY-HHHXNRCGSA-N 1 2 745.499 6.859 1 30 KKEFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1 ZINC000220421570 562878503 /nfs/dbraw/zinc/87/85/03/562878503.db2.gz DDRBYDNBUDCUCK-QHCPKHFHSA-N 1 2 500.628 5.014 1 30 KKEFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1 ZINC000220421570 562878504 /nfs/dbraw/zinc/87/85/04/562878504.db2.gz DDRBYDNBUDCUCK-QHCPKHFHSA-N 1 2 500.628 5.014 1 30 KKEFLO N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCC[N@@H+]2[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299825132 562883482 /nfs/dbraw/zinc/88/34/82/562883482.db2.gz WUGOSUDUKWOXIJ-GSJDMWSYSA-N 1 2 704.834 8.417 1 30 KKEFLO N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCC[N@H+]2[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299825132 562883483 /nfs/dbraw/zinc/88/34/83/562883483.db2.gz WUGOSUDUKWOXIJ-GSJDMWSYSA-N 1 2 704.834 8.417 1 30 KKEFLO COc1ccc(-c2cc3cc([C@@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299835126 562886737 /nfs/dbraw/zinc/88/67/37/562886737.db2.gz KMWJDGVMILSJER-HKBQPEDESA-N 1 2 620.746 7.624 1 30 KKEFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(C#N)c(Cc3ccc(-n4cccn4)cc3)c(C#N)c2c1 ZINC000299835523 562886860 /nfs/dbraw/zinc/88/68/60/562886860.db2.gz WHRLSFGQEUBSBY-HKBQPEDESA-N 1 2 590.569 5.186 1 30 KKEFLO COc1ccc(-c2cc3cc([C@@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836681 562887293 /nfs/dbraw/zinc/88/72/93/562887293.db2.gz OKTMYWNHECFWLC-PMERELPUSA-N 1 2 590.720 7.616 1 30 KKEFLO CC[C@@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299837900 562887696 /nfs/dbraw/zinc/88/76/96/562887696.db2.gz SOOQECYEPMHRLA-QTYPKTMWSA-N 1 2 664.799 8.023 1 30 KKEFLO COc1cc(-c2cc3cc([C@@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CCC5)CCCC6)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839034 562888031 /nfs/dbraw/zinc/88/80/31/562888031.db2.gz XANWOKNUPIDLLC-PMERELPUSA-N 1 2 622.718 6.997 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000299852805 562890978 /nfs/dbraw/zinc/89/09/78/562890978.db2.gz XSMUNBJOKXHSNT-UHFFFAOYSA-N 1 2 535.446 5.035 1 30 KKEFLO CC1C(=O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CCN(CC[NH+]5CCOCC5)CC4)CC[C@]3(C)CC[C@]12C ZINC000299861178 562893152 /nfs/dbraw/zinc/89/31/52/562893152.db2.gz KRZPLLJDEMKYCK-MCLIRCHUSA-N 1 2 631.902 6.090 1 30 KKEFLO CC1C(=O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CC[NH+](CCN5CCOCC5)CC4)CC[C@]3(C)CC[C@]12C ZINC000299861178 562893153 /nfs/dbraw/zinc/89/31/53/562893153.db2.gz KRZPLLJDEMKYCK-MCLIRCHUSA-N 1 2 631.902 6.090 1 30 KKEFLO CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)C[N@H+](Cc3ccccc3)C1)[C@@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000299865616 562894494 /nfs/dbraw/zinc/89/44/94/562894494.db2.gz NYZJWCNLQGNIQE-SANMLTNESA-N 1 2 565.655 5.708 1 30 KKEFLO CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)C[N@@H+](Cc3ccccc3)C1)[C@@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000299865616 562894495 /nfs/dbraw/zinc/89/44/95/562894495.db2.gz NYZJWCNLQGNIQE-SANMLTNESA-N 1 2 565.655 5.708 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@@H+](CC)Cc2ccc(N(CC)CC)cc2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299865842 562894514 /nfs/dbraw/zinc/89/45/14/562894514.db2.gz ODDOSILAXNFJKF-ASDAHRRCSA-N 1 2 566.827 6.261 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@H+](CC)Cc2ccc(N(CC)CC)cc2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299865842 562894515 /nfs/dbraw/zinc/89/45/15/562894515.db2.gz ODDOSILAXNFJKF-ASDAHRRCSA-N 1 2 566.827 6.261 1 30 KKEFLO Cc1ccc(Nc2[nH+]ccc3ccc(NCc4ccc(/C=C/C(=O)NO)cc4)cc32)c(Br)c1 ZINC000473089086 562897402 /nfs/dbraw/zinc/89/74/02/562897402.db2.gz KJIFFNKVPQRPLW-YRNVUSSQSA-N 1 2 503.400 6.180 1 30 KKEFLO Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNN1CCN(C)CC1)C(=O)C(=O)C3C(C)C)c(C=NN1CC[NH+](C)CC1)c(O)c(O)c2C(C)C ZINC000473243988 562904859 /nfs/dbraw/zinc/90/48/59/562904859.db2.gz HLYFXTVNUYKAOJ-BYIQOWEDSA-N 1 2 712.892 5.475 1 30 KKEFLO COc1c(Br)cc(CC(=O)C(=NO)NCCC[NH2+]CCCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000653723588 562908932 /nfs/dbraw/zinc/90/89/32/562908932.db2.gz GVGASSLQAPYDHC-FADJLKOXSA-N 1 2 843.206 5.192 1 30 KKEFLO CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#CC3CC(NC(=O)c4ccc(F)cc4)C3)ccc2[nH+]c1N ZINC000653833246 562914612 /nfs/dbraw/zinc/91/46/12/562914612.db2.gz PSZHCLIOXMDYSF-UHFFFAOYSA-N 1 2 590.743 6.668 1 30 KKEFLO C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CCC(=C(C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5[NH3+])[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C ZINC000085567093 565141764 /nfs/dbraw/zinc/14/17/64/565141764.db2.gz VPJFHUWSHPVICR-HGHBBRCJSA-N 1 2 688.906 6.032 1 30 biogenic,in-vitro KKEFLO CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@H](CO)C[C@H](Cc5ccc[nH]5)c5cc[nH+]c(N)c5)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631803 565165289 /nfs/dbraw/zinc/16/52/89/565165289.db2.gz SELPJVQMOTUOBN-XYRNYLRQSA-N 1 2 638.829 5.557 1 30 biogenic,in-vitro KKEFLO CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(OCC[C@H](Cc5ccc[nH]5)c5cc[nH+]c(N)c5)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631870 565165329 /nfs/dbraw/zinc/16/53/29/565165329.db2.gz PRJQOJMNGPRGTG-RVUVAVCWSA-N 1 2 608.803 6.196 1 30 biogenic,in-vitro KKEFLO CCC1C=C2C(=N1)N1CC[NH2+][C@@H](C#C[C@@H](c3c(O)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc(O)cc5)oc43)Cc3cccc2c3)C1 ZINC000150350027 565202596 /nfs/dbraw/zinc/20/25/96/565202596.db2.gz RZQVBYCGGJFXAS-IAPPQJPRSA-N 1 2 660.747 5.106 1 30 biogenic,in-vitro KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Sc1ccccc1 ZINC000029211932 581101085 /nfs/dbraw/zinc/10/10/85/581101085.db2.gz PKVZEFALNPNGOP-UHFFFAOYSA-N 1 2 514.054 5.456 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(C(=O)Nc3cccc(C#N)c3)c(-c3ccccc3)c2)cc1 ZINC000013533219 561717769 /nfs/dbraw/zinc/71/77/69/561717769.db2.gz MGHYVMPTNXDFCR-UHFFFAOYSA-N 1 2 508.585 6.206 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(Cl)c(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587356 561720666 /nfs/dbraw/zinc/72/06/66/561720666.db2.gz INXLLPVQCSRCGC-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OCC[NH+]5CCOCC5)c(OC)cc4cc32)c(Cl)cc1Cl ZINC000014210860 561737986 /nfs/dbraw/zinc/73/79/86/561737986.db2.gz UNZHPVUBBKLAJR-UHFFFAOYSA-N 1 2 553.446 6.038 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OCC[NH+]5CCOCC5)c(OC)cc4cc32)c(Cl)cc1F ZINC000014945447 561743103 /nfs/dbraw/zinc/74/31/03/561743103.db2.gz KFPYWHWKOQSZEM-UHFFFAOYSA-N 1 2 536.991 5.524 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CC[NH+](C)CC5)c4)ccc32)c(Cl)cc1Cl ZINC000023357862 561761772 /nfs/dbraw/zinc/76/17/72/561761772.db2.gz NPWDRTZQIHHHNK-UHFFFAOYSA-N 1 2 538.504 6.641 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4coc(C[NH+]5CCN(C)CC5)c4)c(OC)cc32)c(Cl)cc1Cl ZINC000023358248 561761974 /nfs/dbraw/zinc/76/19/74/561761974.db2.gz ANUHLKPVOXDYSK-UHFFFAOYSA-N 1 2 552.462 6.181 1 30 world KKEFLO O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026180020 561771481 /nfs/dbraw/zinc/77/14/81/561771481.db2.gz JRQLUGQQZPCLHN-YZZMFYGLSA-N 1 2 663.486 8.535 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026577210 561801186 /nfs/dbraw/zinc/80/11/86/561801186.db2.gz ICBYHXVUZSOVQZ-WABZQMDPSA-N 1 2 652.958 7.617 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2ccccc2Cl)c1 ZINC000027317454 561851949 /nfs/dbraw/zinc/85/19/49/561851949.db2.gz ZAUBGERWKXAZHI-WJOKGBTCSA-N 1 2 630.026 7.054 1 30 KKEFLO CC1(C)CCC(C)(C)NC(NN=Cc2c3ccccc3c(C=NNC3=[NH+]C(C)(C)CCC(C)(C)N3)c3ccccc23)=N1 ZINC000027560201 561870510 /nfs/dbraw/zinc/87/05/10/561870510.db2.gz QLNNXAHTVIDDCW-JTOYJDTJSA-N 1 2 566.798 6.433 1 30 KKEFLO CCCNC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027865856 561887771 /nfs/dbraw/zinc/88/77/71/561887771.db2.gz XVCQSJIWCHFYHH-GGQNKGBRSA-N 1 2 735.358 7.621 1 30 KKEFLO CCCNC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027865856 561887773 /nfs/dbraw/zinc/88/77/73/561887773.db2.gz XVCQSJIWCHFYHH-GGQNKGBRSA-N 1 2 735.358 7.621 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028342065 561914263 /nfs/dbraw/zinc/91/42/63/561914263.db2.gz BLJYZDNOIAHURN-RUZDIDTESA-N 1 2 533.447 7.442 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CCC(CO)CC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028348278 561915133 /nfs/dbraw/zinc/91/51/33/561915133.db2.gz HOXZKLJQMVOWCB-PMERELPUSA-N 1 2 586.618 5.759 1 30 KKEFLO CC(=O)N[C@H]1CCN(c2nc(CO[C@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)C1 ZINC000028348298 561915308 /nfs/dbraw/zinc/91/53/08/561915308.db2.gz BNHGUWSAFIQWGI-NGQVCNFZSA-N 1 2 599.617 5.265 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NCCc2ccccc2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352686 561915736 /nfs/dbraw/zinc/91/57/36/561915736.db2.gz OSUGBOGDUYJWRZ-YTTGMZPUSA-N 1 2 592.625 7.205 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2cccc(F)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028352788 561915778 /nfs/dbraw/zinc/91/57/78/561915778.db2.gz ACLAJGXZPMTKKQ-WJOKGBTCSA-N 1 2 539.010 6.267 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2cccnc2Br)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028373113 561918784 /nfs/dbraw/zinc/91/87/84/561918784.db2.gz BRLZCDTWHIVOEV-GDLZYMKVSA-N 1 2 600.904 6.286 1 30 KKEFLO Cn1c[nH+]cc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1cccc(C#N)c1 ZINC000028712118 561952723 /nfs/dbraw/zinc/95/27/23/561952723.db2.gz HZWGQKNPLTYBDH-MHZLTWQESA-N 1 2 542.994 5.099 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CC[C@@H](c3ccccc3Br)[C@H]([N+](=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000028713121 561953766 /nfs/dbraw/zinc/95/37/66/561953766.db2.gz NZWSNKCQQMSFHO-MKYKQAKUSA-N 1 2 556.464 5.942 1 30 KKEFLO Cn1c[nH+]cc1CN1C[C@H](N(CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815604 561962932 /nfs/dbraw/zinc/96/29/32/561962932.db2.gz OIIZGTJVDCINAR-GDLZYMKVSA-N 1 2 703.667 5.016 1 30 KKEFLO CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(=O)[nH]2)c1O)C(=O)C1CC[NH2+]CC1 ZINC000028821586 561966386 /nfs/dbraw/zinc/96/63/86/561966386.db2.gz QHEKGIRBBMPYLJ-UHFFFAOYSA-N 1 2 579.406 5.982 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000029341201 562015238 /nfs/dbraw/zinc/01/52/38/562015238.db2.gz CTLODRUWNFPOBN-WJOKGBTCSA-N 1 2 624.145 6.242 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000038153086 562067527 /nfs/dbraw/zinc/06/75/27/562067527.db2.gz VGCQRSCCCHQFKI-PQHLKRTFSA-N 1 2 517.824 7.726 1 30 KKEFLO FC(F)(F)c1cc2[nH+]c(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c(C2CCC(C(F)(F)F)CC2)c1 ZINC000038157638 562069324 /nfs/dbraw/zinc/06/93/24/562069324.db2.gz NIIAQTBAGJKCOV-UHFFFAOYSA-N 1 2 565.484 7.158 1 30 KKEFLO N#CC(CCSC(=S)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)(c1ccccc1)c1ccccc1 ZINC000040763075 562079350 /nfs/dbraw/zinc/07/93/50/562079350.db2.gz GAJQCTLAMNIMAX-UHFFFAOYSA-N 1 2 515.704 5.451 1 30 KKEFLO COc1ccc(N(C(=O)CN2c3ccccc3C(C3CCCCC3)[N+](=O)[C@H](NC(=O)Nc3ccccc3)C2=O)C(C)C)cc1 ZINC000043323029 562647782 /nfs/dbraw/zinc/64/77/82/562647782.db2.gz JLGUEGFMAWTKFX-YTTGMZPUSA-N 1 2 597.716 5.511 1 30 KKEFLO COc1ccc(N(C(=O)CN2c3ccccc3C(C3CCCCC3)[N+](=O)C(NC(=O)Nc3ccccc3)C2=O)C(C)C)cc1 ZINC000043323029 562647783 /nfs/dbraw/zinc/64/77/83/562647783.db2.gz JLGUEGFMAWTKFX-YTTGMZPUSA-N 1 2 597.716 5.511 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4cncc(C[NH+]5CCOCC5)c4)ccc32)c(Cl)cc1Cl ZINC000045254738 562659891 /nfs/dbraw/zinc/65/98/91/562659891.db2.gz GJRKTIAXTLKAGK-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO Nc1cnc(C#Cc2cc3ncnc(N(CC[NH+]4CCOCC4)c4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)cn1 ZINC000049605333 562665763 /nfs/dbraw/zinc/66/57/63/562665763.db2.gz KVPGRTCOWYGWHE-UHFFFAOYSA-N 1 2 616.122 5.305 1 30 KKEFLO CCCCCCCC(=O)N1CC[NH+](CCN(Cc2ccc(F)cc2)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)CC1 ZINC000049613904 562666488 /nfs/dbraw/zinc/66/64/88/562666488.db2.gz VXCQZSHJWRHBJK-UHFFFAOYSA-N 1 2 601.138 6.729 1 30 KKEFLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)[NH2+]CCCCCCCc1ccc3ccnc(c3c1)O2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000049616019 562666743 /nfs/dbraw/zinc/66/67/43/562666743.db2.gz XLXRPZIKQICQTL-WIJFSWGSSA-N 1 2 663.885 5.179 1 30 KKEFLO N#Cc1cccc(NC(=O)Nc2ccc(CC(=O)N3CCc4cc(Cl)c(N5CC[NH+](C/C=C/c6ccccc6)CC5)cc43)cc2)c1 ZINC000049626916 562667406 /nfs/dbraw/zinc/66/74/06/562667406.db2.gz YJASGFLOTDAFSS-WEVVVXLNSA-N 1 2 631.180 6.823 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049774387 562678611 /nfs/dbraw/zinc/67/86/11/562678611.db2.gz GBDVAKDSZHDDHY-KMEUWFIYSA-N 1 2 610.994 6.551 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049774387 562678612 /nfs/dbraw/zinc/67/86/12/562678612.db2.gz GBDVAKDSZHDDHY-KMEUWFIYSA-N 1 2 610.994 6.551 1 30 KKEFLO C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CN1c3cc(Br)ccc3[C@]3(C(C)(C)C=C)CC[N@@H+](C)[C@H]13)c1cc(Br)ccc12 ZINC000049780418 562681700 /nfs/dbraw/zinc/68/17/00/562681700.db2.gz YBRPFYGCUNUSTC-HDFRUCAHSA-N 1 2 654.535 7.733 1 30 KKEFLO C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CN1c3cc(Br)ccc3[C@]3(C(C)(C)C=C)CC[N@H+](C)[C@H]13)c1cc(Br)ccc12 ZINC000049780418 562681701 /nfs/dbraw/zinc/68/17/01/562681701.db2.gz YBRPFYGCUNUSTC-HDFRUCAHSA-N 1 2 654.535 7.733 1 30 KKEFLO C[C@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)[NH+](C)C ZINC000053226532 562696515 /nfs/dbraw/zinc/69/65/15/562696515.db2.gz HFPGCDPLKGDCOD-QGZVFWFLSA-N 1 2 527.556 5.256 1 30 KKEFLO Cn1c2ccc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)cc2[nH+]c1Nc1cc(C(F)(F)F)ccc1F ZINC000059769680 562702207 /nfs/dbraw/zinc/70/22/07/562702207.db2.gz BSOYRWMMIWLZGL-UHFFFAOYSA-N 1 2 536.411 7.071 1 30 KKEFLO CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5cc(C(F)(F)F)cc[nH+]5)CC4)cc3)oc21 ZINC000066066379 562709344 /nfs/dbraw/zinc/70/93/44/562709344.db2.gz GGROTCBWTIYLDI-UHFFFAOYSA-N 1 2 547.581 6.550 1 30 KKEFLO COc1cc(C(=O)/C=C/c2sccc2C)cc(C[NH+]2CCN(c3ccc(C(=O)/C=C/c4sccc4C)cc3)CC2)c1O ZINC000066097968 562710852 /nfs/dbraw/zinc/71/08/52/562710852.db2.gz HIGHIXWWQNCOLD-GFULKKFKSA-N 1 2 598.790 7.255 1 30 KKEFLO CC(C)COc1ccccc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000066136489 562713165 /nfs/dbraw/zinc/71/31/65/562713165.db2.gz XROQEMOWNWGGGZ-UHFFFAOYSA-N 1 2 627.789 8.233 1 30 KKEFLO CCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107473 562721289 /nfs/dbraw/zinc/72/12/89/562721289.db2.gz YADSNLPQTNNTFY-JQJRJOTLSA-N 1 2 640.626 8.136 1 30 KKEFLO O=C1c2ccccc2[C@]2(O)N3C[C@]4(C(=O)/C(=C/c5ccccc5Cl)C3)[C@@H](c3ccccc3Cl)[C@@H]3CCC[N@@H+]3[C@@]124 ZINC000072174431 562731147 /nfs/dbraw/zinc/73/11/47/562731147.db2.gz LAHFZEAFTSROLY-KSDOQWNSSA-N 1 2 557.477 5.304 1 30 KKEFLO O=C1c2ccccc2[C@]2(O)N3C[C@]4(C(=O)/C(=C/c5ccccc5Cl)C3)[C@@H](c3ccccc3Cl)[C@@H]3CCC[N@H+]3[C@@]124 ZINC000072174431 562731148 /nfs/dbraw/zinc/73/11/48/562731148.db2.gz LAHFZEAFTSROLY-KSDOQWNSSA-N 1 2 557.477 5.304 1 30 KKEFLO CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 ZINC000072181366 562732720 /nfs/dbraw/zinc/73/27/20/562732720.db2.gz GHQGFMSDYLRDPI-JGCGQSQUSA-N 1 2 543.671 5.477 1 30 KKEFLO CO/N=C(\C(=O)O/C(NC1CCCCC1)=[NH+]/C1CCCCC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000082170600 562741527 /nfs/dbraw/zinc/74/15/27/562741527.db2.gz HNSCNDGVQLCDCE-FCSWHQHPSA-N 1 2 649.861 8.052 1 30 KKEFLO N#Cc1cccc(C(=O)[C@@H](Nc2ccc(Cl)cc2)N[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000084422474 562743026 /nfs/dbraw/zinc/74/30/26/562743026.db2.gz BLCSSYPEKDJKEN-AHWVRZQESA-N 1 2 524.839 6.367 1 30 KKEFLO C=CCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(NCc2csc(-c3ccccc3)n2)[nH+]1 ZINC000095557188 562762004 /nfs/dbraw/zinc/76/20/04/562762004.db2.gz QLNGYBUVQAEFAW-HSZRJFAPSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000095557188 562762005 /nfs/dbraw/zinc/76/20/05/562762005.db2.gz QLNGYBUVQAEFAW-HSZRJFAPSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000095557188 562762006 /nfs/dbraw/zinc/76/20/06/562762006.db2.gz QLNGYBUVQAEFAW-HSZRJFAPSA-N 1 2 644.749 5.561 1 30 KKEFLO Cn1c[nH+]cc1C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@H]2c2c[nH]c3ccccc32)cc1 ZINC000095570697 562768435 /nfs/dbraw/zinc/76/84/35/562768435.db2.gz PDEJBMUXYHBVBV-XIFFEERXSA-N 1 2 526.640 7.610 3 30 KKEFLO CCCCCOC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095572153 562769329 /nfs/dbraw/zinc/76/93/29/562769329.db2.gz PBXZNWQSSWAGAV-VWLOTQADSA-N 1 2 536.470 5.963 1 30 KKEFLO Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)c(C(F)(F)F)c2)cc1C#Cc1ncc(Nc2ccccc2)cn1 ZINC000095583301 562772874 /nfs/dbraw/zinc/77/28/74/562772874.db2.gz ZJKZZFVTJGIADM-UHFFFAOYSA-N 1 2 552.560 6.444 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(C[NH+]2CCC2)c1 ZINC000095584701 562773337 /nfs/dbraw/zinc/77/33/37/562773337.db2.gz CHJONOAJXAYCSX-UHFFFAOYSA-N 1 2 538.054 5.529 1 30 KKEFLO CC[NH+]1CC(n2nccc2-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095584843 562773376 /nfs/dbraw/zinc/77/33/76/562773376.db2.gz WXHCJPOGFSZKEX-UHFFFAOYSA-N 1 2 574.610 5.367 1 30 KKEFLO COc1cc(CCC[NH+]2CCOCC2)ccc1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(N[C@H](CC[NH+]3CCOCC3)CSc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000095612577 562785635 /nfs/dbraw/zinc/78/56/35/562785635.db2.gz SXCMGTOSYHFVGO-UUWRZZSWSA-N 1 2 804.004 6.524 1 30 KKEFLO COc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2OC)C1=O ZINC000096269753 562793039 /nfs/dbraw/zinc/79/30/39/562793039.db2.gz PCOKXHPOHHOXLN-PFIPDXTLSA-N 1 2 624.137 5.567 1 30 KKEFLO COc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2OC)C1=O ZINC000096269753 562793040 /nfs/dbraw/zinc/79/30/40/562793040.db2.gz PCOKXHPOHHOXLN-PFIPDXTLSA-N 1 2 624.137 5.567 1 30 KKEFLO COc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2CSCN2[C@]32c3cccc4cccc(c34)C2=O)cc1 ZINC000096272741 562794187 /nfs/dbraw/zinc/79/41/87/562794187.db2.gz VNJYDYMCWQCWPG-PQVMPVIMSA-N 1 2 602.756 6.005 1 30 KKEFLO COc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2CSCN2[C@]32c3cccc4cccc(c34)C2=O)cc1 ZINC000096272741 562794188 /nfs/dbraw/zinc/79/41/88/562794188.db2.gz VNJYDYMCWQCWPG-PQVMPVIMSA-N 1 2 602.756 6.005 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272743 562794217 /nfs/dbraw/zinc/79/42/17/562794217.db2.gz ZFDPHFXOZMNNBU-IWVNHVMQSA-N 1 2 611.594 7.295 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272743 562794218 /nfs/dbraw/zinc/79/42/18/562794218.db2.gz ZFDPHFXOZMNNBU-IWVNHVMQSA-N 1 2 611.594 7.295 1 30 KKEFLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)[NH2+]CCCCC/C=C\c1cc3c(cc1OC)nc(-c1ccccc1)cc3O2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000096902380 562797372 /nfs/dbraw/zinc/79/73/72/562797372.db2.gz XCHKKUHQNXQXAI-DNXLJTRNSA-N 1 2 782.020 7.325 1 30 KKEFLO N#Cc1ccc(-c2cc(NCc3c[nH+]cn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000096940300 562804950 /nfs/dbraw/zinc/80/49/50/562804950.db2.gz XAGWHYCKDNMTJO-UHFFFAOYSA-N 1 2 573.725 9.026 1 30 KKEFLO Cc1cc(C)c(Oc2cc(NC3CC[NH+](Cc4ccc(S(C)(=O)=O)cc4)CC3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000103251476 562820334 /nfs/dbraw/zinc/82/03/34/562820334.db2.gz HGQXRWJAYCYTPR-UHFFFAOYSA-N 1 2 596.757 6.289 1 30 KKEFLO N#Cc1c(NC(=O)c2cc(OCCNC(=O)C(F)(F)F)ccc2Cl)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103258789 562821048 /nfs/dbraw/zinc/82/10/48/562821048.db2.gz UPWXBCLSIYAIEY-UHFFFAOYSA-N 1 2 563.001 5.141 1 30 KKEFLO N#Cc1c(NC(=O)c2cc(OCCNC(=O)C(F)(F)F)ccc2Cl)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103258789 562821049 /nfs/dbraw/zinc/82/10/49/562821049.db2.gz UPWXBCLSIYAIEY-UHFFFAOYSA-N 1 2 563.001 5.141 1 30 KKEFLO Cc1c(Cc2cccc(C#N)c2)[nH+]c2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092613 562830105 /nfs/dbraw/zinc/83/01/05/562830105.db2.gz MSJJNRAQIJHOSR-UHFFFAOYSA-N 1 2 525.603 5.945 1 30 KKEFLO N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)c2)c1 ZINC000141656470 562833666 /nfs/dbraw/zinc/83/36/66/562833666.db2.gz UCTQRRUEQFDAMT-NDEPHWFRSA-N 1 2 562.699 6.194 1 30 KKEFLO N#Cc1cccc(NC(=O)N2CCC[C@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)c2)c1 ZINC000141656470 562833667 /nfs/dbraw/zinc/83/36/67/562833667.db2.gz UCTQRRUEQFDAMT-NDEPHWFRSA-N 1 2 562.699 6.194 1 30 KKEFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660512 562833712 /nfs/dbraw/zinc/83/37/12/562833712.db2.gz OWROBIRVEFXYNI-QHCPKHFHSA-N 1 2 500.628 5.014 1 30 KKEFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660512 562833713 /nfs/dbraw/zinc/83/37/13/562833713.db2.gz OWROBIRVEFXYNI-QHCPKHFHSA-N 1 2 500.628 5.014 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310096 562854640 /nfs/dbraw/zinc/85/46/40/562854640.db2.gz TXSSCSFNUZUBDX-NDEPHWFRSA-N 1 2 562.674 5.347 1 30 KKEFLO Cc1cn(-c2c(-c3cc(-c4ccc(Br)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)c[nH+]1 ZINC000169327779 562858158 /nfs/dbraw/zinc/85/81/58/562858158.db2.gz FCYRCMZMFCEYIR-UHFFFAOYSA-N 1 2 510.399 5.620 1 30 KKEFLO N#CCCSC1=[NH+][C@H](c2cc3cc(Cl)ccc3nc2Cl)C=C(c2ccc(Br)cc2)N1 ZINC000169328353 562858329 /nfs/dbraw/zinc/85/83/29/562858329.db2.gz RPYPZCHFPQFPQV-FQEVSTJZSA-N 1 2 518.267 6.992 1 30 KKEFLO CCOc1ccccc1[C@@H]1N[C@H](c2ccccc2OCC)C2C(=NO)C1[C@H](c1ccccc1OCC)[NH2+][C@@H]2c1ccccc1OCC ZINC000195310993 562871660 /nfs/dbraw/zinc/87/16/60/562871660.db2.gz GFKFBDIPHHYQSN-CLBVNFDJSA-N 1 2 635.805 7.815 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CC(F)(F)C3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c1Cl ZINC000218690135 562877953 /nfs/dbraw/zinc/87/79/53/562877953.db2.gz WKOYCYOBMPPCRY-MHZLTWQESA-N 1 2 745.499 6.859 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299824755 562883377 /nfs/dbraw/zinc/88/33/77/562883377.db2.gz HPGPWAQKUPNXLT-UHFFFAOYSA-N 1 2 580.075 6.956 1 30 KKEFLO COc1ccc(-c2cc3cc([C@@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836234 562887050 /nfs/dbraw/zinc/88/70/50/562887050.db2.gz MMLXKKXOAACZTO-LJAQVGFWSA-N 1 2 576.693 7.225 1 30 KKEFLO CCCCCCCCOC(=O)CCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000299861005 562893117 /nfs/dbraw/zinc/89/31/17/562893117.db2.gz HKBWDZPRZTUBFJ-UHFFFAOYSA-N 1 2 700.306 6.548 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(C(=O)OCC[NH+]3CCN(C(=O)c4ccc(F)c(F)c4)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299863916 562893966 /nfs/dbraw/zinc/89/39/66/562893966.db2.gz QFOQRYVAEUDAOT-YLKZTIDBSA-N 1 2 706.959 8.493 1 30 KKEFLO COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCCn4cc[nH+]c4)c(OC)c3)C2=O)ccc1OCCCn1ccnc1 ZINC000653755600 562910857 /nfs/dbraw/zinc/91/08/57/562910857.db2.gz FYYKYUPAJYFPBQ-IABPKXMJSA-N 1 2 582.701 6.255 1 30 KKEFLO COC(=O)[C@H](CCSC)NC(=O)c1sc(NCc2c[nH+]cn2Cc2ccc(C#N)cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653799450 562913294 /nfs/dbraw/zinc/91/32/94/562913294.db2.gz VSWYGCPHPQYBIQ-VWLOTQADSA-N 1 2 619.172 5.693 1 30 KKEFLO CC[C@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](C[C@H](c4cc[nH+]c(N)c4)C4(c5ccc[nH]5)CCCC4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631828 565165095 /nfs/dbraw/zinc/16/50/95/565165095.db2.gz CKHGHSJBDNQONJ-MIIXVAPQSA-N 1 2 696.909 5.871 1 30 biogenic,in-vitro KKEFLO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3/c4cc(Cl)ccc4N(C[NH+]4CCCCC4)C3=O)n2)cc1 ZINC000001658387 561678944 /nfs/dbraw/zinc/67/89/44/561678944.db2.gz UJNIYUFIVZLPJN-JTHRFTPNSA-N 1 2 556.497 7.337 1 30 KKEFLO N#Cc1c(=O)[nH]c(-c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000001862571 561679958 /nfs/dbraw/zinc/67/99/58/561679958.db2.gz NMZYLRVTBXWPPS-UHFFFAOYSA-N 1 2 527.462 6.799 1 30 KKEFLO N#Cc1ccc2cc1Oc1cccc(c1)[C@H](c1cccc(Cl)c1)N1CC[C@@H]([NH2+]Cc3cncn3C2)C1=O ZINC000013473910 561714475 /nfs/dbraw/zinc/71/44/75/561714475.db2.gz MVPXMHNFAQUXRM-IAPPQJPRSA-N 1 2 509.997 5.042 1 30 KKEFLO N#Cc1ccc2cc1Oc1cccc(c1)[C@@H](c1cccc(Cl)c1)N1CC[C@@H]([NH2+]Cc3cncn3C2)C1=O ZINC000013473911 561714484 /nfs/dbraw/zinc/71/44/84/561714484.db2.gz MVPXMHNFAQUXRM-IXCJQBJRSA-N 1 2 509.997 5.042 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(C(=O)NCC3CCCCC3)c(-c3ccccc3)c2)cc1 ZINC000013533203 561717780 /nfs/dbraw/zinc/71/77/80/561717780.db2.gz NLJMZUQHBRMGGU-UHFFFAOYSA-N 1 2 503.650 6.392 1 30 KKEFLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OCCc1ccc(Cl)cc1Cl ZINC000013643442 561722332 /nfs/dbraw/zinc/72/23/32/561722332.db2.gz VBPKKVPBRLGSCR-UHFFFAOYSA-N 1 2 524.448 5.453 1 30 KKEFLO COc1cc(Nc2c3sc(-c4ccc(C[NH+]5CCN(C)CC5)cn4)cc3ncc2C#N)c(Cl)cc1Cl ZINC000023357893 561761968 /nfs/dbraw/zinc/76/19/68/561761968.db2.gz IBRPSHUYWHRYQA-UHFFFAOYSA-N 1 2 539.492 6.036 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027312384 561850953 /nfs/dbraw/zinc/85/09/53/561850953.db2.gz JQBMSMWRNHYILW-HKBQPEDESA-N 1 2 614.920 7.463 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027329540 561854459 /nfs/dbraw/zinc/85/44/59/561854459.db2.gz OJEWQHUSLNOLBT-VWLOTQADSA-N 1 2 583.273 5.905 1 30 KKEFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccccc2C#N)cc1-c1ccccc1 ZINC000027517660 561861473 /nfs/dbraw/zinc/86/14/73/561861473.db2.gz ZWHYPANJFOLRNQ-LJAQVGFWSA-N 1 2 553.688 5.107 1 30 KKEFLO C/C(=N\O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(OCCN2CCOCC2)cc1 ZINC000027549431 561867616 /nfs/dbraw/zinc/86/76/16/561867616.db2.gz YTURRWDPRGECNY-LBYSXPAKSA-N 1 2 503.430 5.083 1 30 KKEFLO Clc1ccc(/C(Cn2cc[nH+]c2)=N/O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553407 561868586 /nfs/dbraw/zinc/86/85/86/561868586.db2.gz MCLUDIMDSXHBFH-YTWDJBGZSA-N 1 2 509.224 6.556 1 30 KKEFLO Clc1ccc(/C(Cn2ccnc2)=N/O[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553407 561868587 /nfs/dbraw/zinc/86/85/87/561868587.db2.gz MCLUDIMDSXHBFH-YTWDJBGZSA-N 1 2 509.224 6.556 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CCC[C@@H]2CO)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028337447 561913612 /nfs/dbraw/zinc/91/36/12/561913612.db2.gz MPFBNFPGALIGPP-GIGWZHCTSA-N 1 2 572.591 5.512 1 30 KKEFLO Cc1ccccc1-c1cc([C@H](OCc2cccc(I)c2)c2c[nH+]cn2C)ccc1C#N ZINC000028338532 561913740 /nfs/dbraw/zinc/91/37/40/561913740.db2.gz LFFSUIJNFZPRED-SANMLTNESA-N 1 2 519.386 6.178 1 30 KKEFLO COc1cccc(NC2=C3C(=O)c4ccccc4[C@H]4O[NH+]=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@@H]34)c1 ZINC000028640439 561942905 /nfs/dbraw/zinc/94/29/05/561942905.db2.gz YGHHTXYMKKFYGD-LXANVCGNSA-N 1 2 583.088 5.679 1 30 KKEFLO N#CC1(c2ccccc2OC(F)(F)F)CCC(CNc2[nH+]cccc2NC(=O)CC(F)(F)F)CC1 ZINC000028819016 561965539 /nfs/dbraw/zinc/96/55/39/561965539.db2.gz KFXSKAODBJIOIT-UHFFFAOYSA-N 1 2 500.443 5.935 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(C#CCC[NH+]4CCN(C)CC4)c(OC)cc32)c(Cl)cc1Cl ZINC000028888028 561977949 /nfs/dbraw/zinc/97/79/49/561977949.db2.gz ZJDFSJYCAFMEGH-UHFFFAOYSA-N 1 2 524.452 5.163 1 30 in-vivo KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([NH2+]Cc1c[nH+]cn1Cc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000029229074 562009055 /nfs/dbraw/zinc/00/90/55/562009055.db2.gz LVJWJCSHBVDKJR-RGBNZBEESA-N 1 2 621.826 6.883 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(C(=O)c2cccc(Cl)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029238439 562009936 /nfs/dbraw/zinc/00/99/36/562009936.db2.gz NWVFOJAOGHNNDW-UHFFFAOYSA-N 1 2 655.611 6.981 1 30 investigational KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](C(=O)NCc1ccccc1)N(Cc1c[nH+]cn1Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 ZINC000029238857 562010034 /nfs/dbraw/zinc/01/00/34/562010034.db2.gz SZAVJLYWVQGCOY-BENADTFASA-N 1 2 703.953 8.488 1 30 KKEFLO CCCCCCCN(CCCCCNc1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000036331404 562056444 /nfs/dbraw/zinc/05/64/44/562056444.db2.gz RVOFCDIZXKEIFG-UHFFFAOYSA-N 1 2 573.732 9.109 1 30 KKEFLO CS(=O)(=O)N1CCC(CN(c2[nH]c3cc(Cl)c(Cl)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351860 562059318 /nfs/dbraw/zinc/05/93/18/562059318.db2.gz VFFDKTHMIPABGU-PFPZSTESSA-N 1 2 572.562 5.730 1 30 KKEFLO Fc1ccc(Cc2cc(C(F)(F)F)cc3[nH+]c(N4CCN(c5ncccc5C(F)(F)F)CC4)[nH]c32)cc1F ZINC000038157636 562069250 /nfs/dbraw/zinc/06/92/50/562069250.db2.gz USDZYVNZOTXUIS-UHFFFAOYSA-N 1 2 541.446 6.191 1 30 KKEFLO Cn1c[nH+]c2c1cccc2NC(=NC#N)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040936559 562085234 /nfs/dbraw/zinc/08/52/34/562085234.db2.gz MCCCVNBJMOCZKM-DEOSSOPVSA-N 1 2 513.005 5.067 1 30 KKEFLO CCNS(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000043543818 562649443 /nfs/dbraw/zinc/64/94/43/562649443.db2.gz KLYVCNNNGRBSQX-UHFFFAOYSA-N 1 2 612.583 5.174 1 30 KKEFLO CCNS(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000043543818 562649444 /nfs/dbraw/zinc/64/94/44/562649444.db2.gz KLYVCNNNGRBSQX-UHFFFAOYSA-N 1 2 612.583 5.174 1 30 KKEFLO COc1cc2c(cc1OCC[NH+]1CCOCC1)ncn2-c1cc(OCc2ccccc2C(F)(F)F)c(C#N)s1 ZINC000043552686 562649663 /nfs/dbraw/zinc/64/96/63/562649663.db2.gz MJZWDFWUICERSZ-UHFFFAOYSA-N 1 2 558.582 5.276 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(N(C)C)cc2)[NH2+]1 ZINC000044018239 562651503 /nfs/dbraw/zinc/65/15/03/562651503.db2.gz FBTFEAOJEWTTAS-JDXGNMNLSA-N 1 2 503.841 7.834 1 30 KKEFLO CCCCCCCNc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c[nH+]1 ZINC000044138189 562652421 /nfs/dbraw/zinc/65/24/21/562652421.db2.gz VTHQGNPMGQTTFK-GDLZYMKVSA-N 1 2 521.612 5.967 1 30 KKEFLO Cc1cccc(-n2nc(C(C)(C)C)cc2/C(=N/O)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)c1 ZINC000044307648 562654009 /nfs/dbraw/zinc/65/40/09/562654009.db2.gz AEYOFSDOUDWPBA-GXVXDJONSA-N 1 2 555.679 5.159 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3ccc(-c4ccc(C[NH+]5CCN(C)CC5)cn4)cc32)c(Cl)cc1Cl ZINC000049679533 562668938 /nfs/dbraw/zinc/66/89/38/562668938.db2.gz FKINMQQWMCSSND-UHFFFAOYSA-N 1 2 533.463 5.975 1 30 KKEFLO [O-]c1c(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)cc(C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c(F)c1F ZINC000049759957 562676112 /nfs/dbraw/zinc/67/61/12/562676112.db2.gz MPHCFBYPDVYFDP-UHFFFAOYSA-N 1 2 644.603 6.675 1 30 KKEFLO CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049762005 562676240 /nfs/dbraw/zinc/67/62/40/562676240.db2.gz AFBHBOYZUUEZAG-KYJUHHDHSA-N 1 2 531.851 8.069 1 30 KKEFLO COc1ccccc1/C=C1\C[N@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1OC)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049775248 562678955 /nfs/dbraw/zinc/67/89/55/562678955.db2.gz LKODKDXBMSGOOG-MVUOPXTRSA-N 1 2 602.156 5.261 1 30 KKEFLO COc1ccccc1/C=C1\C[N@@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1OC)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049775248 562678956 /nfs/dbraw/zinc/67/89/56/562678956.db2.gz LKODKDXBMSGOOG-MVUOPXTRSA-N 1 2 602.156 5.261 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000049781175 562682714 /nfs/dbraw/zinc/68/27/14/562682714.db2.gz NAVMROXOMUZBJS-QXUSSCGESA-N 1 2 738.930 5.306 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000049781175 562682715 /nfs/dbraw/zinc/68/27/15/562682715.db2.gz NAVMROXOMUZBJS-QXUSSCGESA-N 1 2 738.930 5.306 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc(OCc2ccccc2)cc1 ZINC000053045213 562696150 /nfs/dbraw/zinc/69/61/50/562696150.db2.gz ZIMFMTWCZHSVJU-UHFFFAOYSA-N 1 2 604.110 6.677 1 30 KKEFLO CC(C)[NH2+][C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053242641 562696757 /nfs/dbraw/zinc/69/67/57/562696757.db2.gz LBZXIMVHSCCDBC-SFHVURJKSA-N 1 2 541.583 5.692 1 30 KKEFLO O=C(/C=C/c1ccccc1Cl)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccccc4Cl)ccc3O)CC2)cc1 ZINC000066074404 562709796 /nfs/dbraw/zinc/70/97/96/562709796.db2.gz DKWCBIKOYHQWNJ-MAEUFBSDSA-N 1 2 597.542 7.813 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)oc21 ZINC000066112105 562711972 /nfs/dbraw/zinc/71/19/72/562711972.db2.gz TWXKMLUDQFBGTJ-UHFFFAOYSA-N 1 2 519.527 5.454 1 30 KKEFLO N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc43)nc(N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000072116936 562723292 /nfs/dbraw/zinc/72/32/92/562723292.db2.gz VMXXTKKQADBDCX-MGBGTMOVSA-N 1 2 693.133 8.411 1 30 KKEFLO N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc43)nc(N3CCN(c4cccc[nH+]4)CC3)n2)cc1C(F)(F)F ZINC000072118617 562723600 /nfs/dbraw/zinc/72/36/00/562723600.db2.gz OTCWZVXLYSVPMM-UHFFFAOYSA-N 1 2 569.551 5.568 1 30 KKEFLO CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 ZINC000072181249 562732729 /nfs/dbraw/zinc/73/27/29/562732729.db2.gz AGCHZCQJRQROCK-UMSFTDKQSA-N 1 2 571.725 6.209 1 30 KKEFLO CCCCCCCCCCCCCNC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000073162241 562734175 /nfs/dbraw/zinc/73/41/75/562734175.db2.gz RYINRPFPJJXESK-QHCPKHFHSA-N 1 2 542.740 5.887 1 30 KKEFLO CCCCCCCC[C@@H](c1[nH]c2cc(C)c(C)cc2[nH+]1)n1c2ccccc2nc(-c2ccccc2Br)c1=O ZINC000073242402 562736960 /nfs/dbraw/zinc/73/69/60/562736960.db2.gz ZEGCEDPDHKICAF-LJAQVGFWSA-N 1 2 571.563 8.659 3 30 KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)nc(N)c2C#N)c2ccccc12 ZINC000073315319 562738080 /nfs/dbraw/zinc/73/80/80/562738080.db2.gz LPWIZSKSAKBHAM-UHFFFAOYSA-N 1 2 561.567 8.342 1 30 KKEFLO N#Cc1cccc(C(=O)[C@H](Nc2ccc(Cl)cc2)N[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000084422476 562743055 /nfs/dbraw/zinc/74/30/55/562743055.db2.gz BLCSSYPEKDJKEN-AZGAKELHSA-N 1 2 524.839 6.367 1 30 KKEFLO COc1cc(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000084671466 562748608 /nfs/dbraw/zinc/74/86/08/562748608.db2.gz FSFMOJWYSXWREZ-GEGJFKBGSA-N 1 2 628.512 8.316 1 30 KKEFLO CCCCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(CC(=NO)C(=O)NCCc2c[nH+]c(N)[nH]2)cc1Br ZINC000095542441 562756752 /nfs/dbraw/zinc/75/67/52/562756752.db2.gz KASOWCQECAIKID-VPSBLXEASA-N 1 2 756.625 7.615 1 30 KKEFLO CCCCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(C/C(=N/O)C(=O)NCCc2c[nH]c(N)[nH+]2)cc1Br ZINC000095542441 562756753 /nfs/dbraw/zinc/75/67/53/562756753.db2.gz KASOWCQECAIKID-VPSBLXEASA-N 1 2 756.625 7.615 1 30 KKEFLO CC(C)OC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095579307 562771528 /nfs/dbraw/zinc/77/15/28/562771528.db2.gz NRGBWBGUOGGUIL-QHCPKHFHSA-N 1 2 508.416 5.181 1 30 KKEFLO CCCCOC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095579611 562771610 /nfs/dbraw/zinc/77/16/10/562771610.db2.gz UMPLKFYNHBLQFR-XMMPIXPASA-N 1 2 522.443 5.573 1 30 KKEFLO CS(=O)(=O)N(C[C@@H](C(=O)NO)[NH+]1CCC(c2ccccc2)CC1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1 ZINC000096319037 562796626 /nfs/dbraw/zinc/79/66/26/562796626.db2.gz WHHTZGVOGIKLTQ-SANMLTNESA-N 1 2 577.625 5.017 1 30 KKEFLO COc1ccc(C(=O)C=CC2=CC(=CNc3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)C(=O)C(C)=C2)cc1 ZINC000102971951 562813758 /nfs/dbraw/zinc/81/37/58/562813758.db2.gz OAOZJWJEYDGPLA-WPPROMFVSA-N 1 2 548.042 7.831 1 30 KKEFLO O[C@H](C[NH2+][C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F ZINC000115422517 562828878 /nfs/dbraw/zinc/82/88/78/562828878.db2.gz AVRHGGXYODBWMF-IRLDBZIGSA-N 1 2 554.865 6.110 1 30 KKEFLO Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH+]c2cccc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118095448 562830168 /nfs/dbraw/zinc/83/01/68/562830168.db2.gz BZSGBCMMSNJJRD-UHFFFAOYSA-N 1 2 603.582 8.653 1 30 KKEFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660706 562833750 /nfs/dbraw/zinc/83/37/50/562833750.db2.gz OWROBIRVEFXYNI-HSZRJFAPSA-N 1 2 500.628 5.014 1 30 KKEFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660706 562833751 /nfs/dbraw/zinc/83/37/51/562833751.db2.gz OWROBIRVEFXYNI-HSZRJFAPSA-N 1 2 500.628 5.014 1 30 KKEFLO Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCC[C@H]1C(=O)N(Cc3ccccc3)C[C@@H](CCc3ccccc3)[N@@H+]1Cc1ccccc1)OC(C)(C)C2 ZINC000150610116 562848317 /nfs/dbraw/zinc/84/83/17/562848317.db2.gz UWYSHGYCBOHTAU-ZUBDYPCQSA-N 1 2 735.995 6.613 1 30 KKEFLO Cc1c2c(c(C)c(C)c1S(=O)(=O)N=C(N)NCCC[C@H]1C(=O)N(Cc3ccccc3)C[C@@H](CCc3ccccc3)[N@H+]1Cc1ccccc1)OC(C)(C)C2 ZINC000150610116 562848318 /nfs/dbraw/zinc/84/83/18/562848318.db2.gz UWYSHGYCBOHTAU-ZUBDYPCQSA-N 1 2 735.995 6.613 1 30 KKEFLO Cc1c2c(c(C)c(C)c1S(=O)(=O)N=C(N)NCCC[C@H]1C(=O)N(Cc3ccccc3)C[C@@H](CCc3ccccc3)[N@@H+]1Cc1ccccc1)OC(C)(C)C2 ZINC000150610116 562848319 /nfs/dbraw/zinc/84/83/19/562848319.db2.gz UWYSHGYCBOHTAU-ZUBDYPCQSA-N 1 2 735.995 6.613 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310097 562854652 /nfs/dbraw/zinc/85/46/52/562854652.db2.gz TXSSCSFNUZUBDX-MUUNZHRXSA-N 1 2 562.674 5.347 1 30 KKEFLO COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)[C@@H]([NH3+])Cc5ccccc5)CC[C@@]34C)[C@@H]2C1 ZINC000169349372 562862483 /nfs/dbraw/zinc/86/24/83/562862483.db2.gz ZNEHQDREEGGBJP-SJYWEGTMSA-N 1 2 631.898 7.622 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NC3CC(F)(F)C3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701073 562867953 /nfs/dbraw/zinc/86/79/53/562867953.db2.gz UMCQLWIWWQSKDU-UHFFFAOYSA-N 1 2 743.527 8.135 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299827755 562884237 /nfs/dbraw/zinc/88/42/37/562884237.db2.gz RIVBPVZMJZJMQB-UHFFFAOYSA-N 1 2 546.523 6.590 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccccc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299828208 562884371 /nfs/dbraw/zinc/88/43/71/562884371.db2.gz SVHGTFLZNYRHPS-UHFFFAOYSA-N 1 2 512.078 5.937 1 30 KKEFLO S=c1n(C[NH+]2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1 ZINC000299832796 562885958 /nfs/dbraw/zinc/88/59/58/562885958.db2.gz TWAMTTDPDIMIPR-ZCTHSVRISA-N 1 2 551.547 7.381 1 30 KKEFLO CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Br)cc(Br)c1OCC#CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000299837566 562887494 /nfs/dbraw/zinc/88/74/94/562887494.db2.gz RLSGJKZSAVMDFI-UHFFFAOYSA-N 1 2 733.473 5.916 1 30 KKEFLO CC[C@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299837903 562887687 /nfs/dbraw/zinc/88/76/87/562887687.db2.gz SOOQECYEPMHRLA-WEZXKFLESA-N 1 2 664.799 8.023 1 30 KKEFLO CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCC[NH+]5CCOCC5)(C3=O)[C@@]14O2 ZINC000653751778 562910729 /nfs/dbraw/zinc/91/07/29/562910729.db2.gz YEZWNSGKIYPXMC-BRUOGCMUSA-N 1 2 757.965 7.450 1 30 KKEFLO CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCC[C@H](c4cc[nH+]c(N)c4)C4(c5ccc[nH]5)CCCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631880 565165350 /nfs/dbraw/zinc/16/53/50/565165350.db2.gz CHTQVBWRYFSCTA-ZJNKKXPKSA-N 1 2 650.884 7.539 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H]([NH3+])NCCC(C)C)c1 ZINC000103527883 565193557 /nfs/dbraw/zinc/19/35/57/565193557.db2.gz HTBZYRVCNNLMGS-CJUVPFIHSA-N 1 2 604.744 5.521 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)[NH2+]CCC(C)C)c1 ZINC000103527883 565193563 /nfs/dbraw/zinc/19/35/63/565193563.db2.gz HTBZYRVCNNLMGS-CJUVPFIHSA-N 1 2 604.744 5.521 1 30 biogenic,in-vitro KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CCC[C@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000001490808 561676283 /nfs/dbraw/zinc/67/62/83/561676283.db2.gz AAWKUFHCCMHBMW-OUTSHDOLSA-N 1 2 572.591 5.512 1 30 KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)nc(N)c2C#N)c2ccccc12 ZINC000001862566 561679967 /nfs/dbraw/zinc/67/99/67/561679967.db2.gz MIGUSJYGNVKHCZ-UHFFFAOYSA-N 1 2 528.015 7.976 1 30 KKEFLO N#Cc1cccc(C(=O)N=C(Nc2ccc(Cl)cc2)N[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000003939859 561689177 /nfs/dbraw/zinc/68/91/77/561689177.db2.gz YYTUVUFQDHTNFQ-DEOSSOPVSA-N 1 2 537.838 6.354 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2c3ccccc3CCN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000013589516 561721405 /nfs/dbraw/zinc/72/14/05/561721405.db2.gz ONWQFUUORXWXJQ-MHZLTWQESA-N 1 2 516.432 5.530 1 30 KKEFLO N#Cc1ccc(C(=O)[C@@H](Nc2ccc(Cl)cc2)N[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000025980429 561763813 /nfs/dbraw/zinc/76/38/13/561763813.db2.gz DJTIBRWKPJKQCE-RSXGOPAZSA-N 1 2 524.839 6.367 1 30 KKEFLO N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981851 561763927 /nfs/dbraw/zinc/76/39/27/561763927.db2.gz DZWRYJPRGCJOAS-RUZDIDTESA-N 1 2 532.069 5.147 1 30 KKEFLO N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981851 561763928 /nfs/dbraw/zinc/76/39/28/561763928.db2.gz DZWRYJPRGCJOAS-RUZDIDTESA-N 1 2 532.069 5.147 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2cccc([N+](=O)[O-])c2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026577909 561802433 /nfs/dbraw/zinc/80/24/33/561802433.db2.gz KAVHLYKTLFUDAT-MMZFVREHSA-N 1 2 522.557 5.998 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2cccc([N+](=O)[O-])c2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026577908 561802497 /nfs/dbraw/zinc/80/24/97/561802497.db2.gz KAVHLYKTLFUDAT-XWGMSIGLSA-N 1 2 522.557 5.998 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NC[C@@H]2CCCO2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352658 561915792 /nfs/dbraw/zinc/91/57/92/561915792.db2.gz WISKOZINSNUMIP-PWUYWRBVSA-N 1 2 572.591 6.141 1 30 KKEFLO Cn1c[nH+]cc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(=O)c(C#N)cn(-c3cccc(Cl)c3)c2c1 ZINC000028391482 561922231 /nfs/dbraw/zinc/92/22/31/561922231.db2.gz MXGFTUCSUMGSGO-HHHXNRCGSA-N 1 2 501.373 5.187 1 30 KKEFLO CCCC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OCC[NH+]2CCOCC2)oc1=O ZINC000028456281 561923886 /nfs/dbraw/zinc/92/38/86/561923886.db2.gz OLIIPZMNWDUVQC-RXEXTPQTSA-N 1 2 530.662 5.067 1 30 KKEFLO Cn1c[nH+]cc1CN1C[C@@H](N(CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815602 561962916 /nfs/dbraw/zinc/96/29/16/561962916.db2.gz OIIZGTJVDCINAR-LJAQVGFWSA-N 1 2 703.667 5.016 1 30 KKEFLO NC(=[NH2+])NC(O)=Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000029040177 561990462 /nfs/dbraw/zinc/99/04/62/561990462.db2.gz DPKFBIMPAQFLPJ-UHFFFAOYSA-N 1 2 506.393 5.181 1 30 KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000029232665 562009355 /nfs/dbraw/zinc/00/93/55/562009355.db2.gz BCDJYKASWXNDNH-OCRWKLKLSA-N 1 2 589.784 7.945 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000038153082 562067562 /nfs/dbraw/zinc/06/75/62/562067562.db2.gz IOXNBUNNEDDVHD-MXBOTTGLSA-N 1 2 550.850 7.794 1 30 KKEFLO C[C@H]1C#Cc2cc(N)[nH+]cc2CO[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CC[C@@H]1CCCO ZINC000085628550 560068618 /nfs/dbraw/zinc/06/86/18/560068618.db2.gz VXFMOCCCLHWRKA-UTQCBQBQSA-N 1 2 550.740 5.520 1 30 biogenic,in-vitro KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000043153584 562646431 /nfs/dbraw/zinc/64/64/31/562646431.db2.gz IOXNBUNNEDDVHD-SUYBVONHSA-N 1 2 550.850 7.794 1 30 KKEFLO CCC/[NH+]=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694992 562670079 /nfs/dbraw/zinc/67/00/79/562670079.db2.gz UFSJPARGZSTAPR-OMGNXAFNSA-N 1 2 633.694 5.836 1 30 KKEFLO Cc1cc(-c2ccc(NC(=O)N3CCc4cc(Br)c(N5CC[NH+](C)CC5)cc43)cc2)ccc1C#N ZINC000049722643 562672344 /nfs/dbraw/zinc/67/23/44/562672344.db2.gz BSHZVIZBPNVVTP-UHFFFAOYSA-N 1 2 530.470 5.643 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000049756924 562675312 /nfs/dbraw/zinc/67/53/12/562675312.db2.gz KIIXUFYIRQLZCG-KQFQCMSKSA-N 1 2 665.451 6.116 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000049756924 562675313 /nfs/dbraw/zinc/67/53/13/562675313.db2.gz KIIXUFYIRQLZCG-KQFQCMSKSA-N 1 2 665.451 6.116 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000049762240 562676386 /nfs/dbraw/zinc/67/63/86/562676386.db2.gz HGPSVGGKDMVPFK-IVQKCLQZSA-N 1 2 518.808 7.561 1 30 KKEFLO COc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@H](c2ccc(OC)cc2OC)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)c(OC)c1 ZINC000049771854 562678432 /nfs/dbraw/zinc/67/84/32/562678432.db2.gz LSCBPMZUQDOKCL-SWWRWKNQSA-N 1 2 662.208 5.279 1 30 KKEFLO COc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@H](c2ccc(OC)cc2OC)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)c(OC)c1 ZINC000049771854 562678433 /nfs/dbraw/zinc/67/84/33/562678433.db2.gz LSCBPMZUQDOKCL-SWWRWKNQSA-N 1 2 662.208 5.279 1 30 KKEFLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1 ZINC000049778051 562680870 /nfs/dbraw/zinc/68/08/70/562680870.db2.gz KGRSUMUKTYCXCP-IGMOWHQGSA-N 1 2 751.973 5.225 1 30 in-vitro KKEFLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1 ZINC000049778051 562680871 /nfs/dbraw/zinc/68/08/71/562680871.db2.gz KGRSUMUKTYCXCP-IGMOWHQGSA-N 1 2 751.973 5.225 1 30 in-vitro KKEFLO N#Cc1c(-c2cccc(NC(=O)CC[NH3+])c2)cc(-c2ccc(Cl)cc2O)nc1NC(=O)c1cccs1 ZINC000049802509 562685758 /nfs/dbraw/zinc/68/57/58/562685758.db2.gz WUTJMDIUPJLCEZ-UHFFFAOYSA-N 1 2 517.998 5.247 1 30 KKEFLO CC(C)(C)CC[C@]1([NH2+]Cc2csc3ccccc23)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049881869 562691210 /nfs/dbraw/zinc/69/12/10/562691210.db2.gz KQDZEPDLUKVLFZ-XIFFEERXSA-N 1 2 678.858 6.149 1 30 KKEFLO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053295615 562697355 /nfs/dbraw/zinc/69/73/55/562697355.db2.gz LRBNYCDMNJELGI-KRWDZBQOSA-N 1 2 527.556 5.304 1 30 KKEFLO CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000058492038 562698171 /nfs/dbraw/zinc/69/81/71/562698171.db2.gz DOJHCLMMZBGBQY-DPGDXNODSA-N 1 2 650.824 5.147 1 30 KKEFLO C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=[NH+]/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064321115 562704737 /nfs/dbraw/zinc/70/47/37/562704737.db2.gz KKIIIEUCDIGNTG-YTTGMZPUSA-N 1 2 597.697 5.183 1 30 KKEFLO C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=[NH+]/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064321117 562704780 /nfs/dbraw/zinc/70/47/80/562704780.db2.gz KKIIIEUCDIGNTG-JGCGQSQUSA-N 1 2 597.697 5.183 1 30 KKEFLO COc1ccc(/C=C/C(=O)c2ccc(N3CC[NH+](Cc4cc(C(=O)/C=C/c5ccc(OC)cc5)cc(OC)c4O)CC3)cc2)cc1 ZINC000066066557 562709435 /nfs/dbraw/zinc/70/94/35/562709435.db2.gz QSLOQPHEXKKYIY-GCBPPVMSSA-N 1 2 618.730 6.532 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(N4CC[C@H]([NH+]5CCN(c6ccc(C(F)(F)F)cc6)CC5)C4=O)cc3)oc21 ZINC000066073711 562709558 /nfs/dbraw/zinc/70/95/58/562709558.db2.gz SQSOSUJLVMXEKH-SANMLTNESA-N 1 2 545.565 5.621 1 30 KKEFLO COc1ccc(/C=C/C(=O)c2ccc(N3CC[NH+](Cc4cc(C(=O)/C=C/c5ccc(OC)cc5)ccc4O)CC3)cc2)cc1 ZINC000066073808 562709561 /nfs/dbraw/zinc/70/95/61/562709561.db2.gz DRHWDGJLEZWABJ-NDILIQOGSA-N 1 2 588.704 6.524 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(CC(=O)C[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc21 ZINC000066078194 562710402 /nfs/dbraw/zinc/71/04/02/562710402.db2.gz XYFKIUYEPWNNKY-UHFFFAOYSA-N 1 2 518.539 5.628 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@@H]2c2ccccc2)cc1 ZINC000066113910 562712285 /nfs/dbraw/zinc/71/22/85/562712285.db2.gz ORXDRVROZDUWIR-PGUFJCEWSA-N 1 2 551.694 6.559 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@@H]2c2ccccc2)cc1 ZINC000066113910 562712286 /nfs/dbraw/zinc/71/22/86/562712286.db2.gz ORXDRVROZDUWIR-PGUFJCEWSA-N 1 2 551.694 6.559 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@@H]2c2ccccc2)cc1 ZINC000066113910 562712287 /nfs/dbraw/zinc/71/22/87/562712287.db2.gz ORXDRVROZDUWIR-PGUFJCEWSA-N 1 2 551.694 6.559 1 30 KKEFLO CCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109761 562721681 /nfs/dbraw/zinc/72/16/81/562721681.db2.gz BATSONTZUJMPAB-MUUNZHRXSA-N 1 2 518.455 7.331 1 30 KKEFLO O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000084462492 562743166 /nfs/dbraw/zinc/74/31/66/562743166.db2.gz JRQLUGQQZPCLHN-ZHIUHAEGSA-N 1 2 663.486 8.535 1 30 KKEFLO COc1cc(OC)c(OC)cc1C=C(Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)C(=O)c1ccc(Cl)cc1 ZINC000084671465 562748576 /nfs/dbraw/zinc/74/85/76/562748576.db2.gz UXWLNSHQPQSWHU-ZTDWXUBRSA-N 1 2 628.512 8.316 1 30 KKEFLO COc1ccc(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000084707205 562750079 /nfs/dbraw/zinc/75/00/79/562750079.db2.gz OREYXYFNHRRDJA-UNNVYABOSA-N 1 2 568.460 8.299 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OC/C=C(\C)CCC=C(C)C)cc2)cc1 ZINC000095554217 562761171 /nfs/dbraw/zinc/76/11/71/562761171.db2.gz PMOJQRFQXUMBGX-UAYLKEQNSA-N 1 2 679.887 7.194 1 30 KKEFLO CCCCCCCC[N+](C)(CCCCCCCC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560455 562763056 /nfs/dbraw/zinc/76/30/56/562763056.db2.gz HHSDOIMEQMCUJF-UHFFFAOYSA-O 1 2 538.749 7.549 1 30 KKEFLO Cc1cc(F)ccc1-c1cc(N2CC[C@H](O)C2)[nH+]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095560927 562763228 /nfs/dbraw/zinc/76/32/28/562763228.db2.gz HCGIROBRNBTDFG-NRFANRHFSA-N 1 2 583.548 6.745 1 30 KKEFLO O=C(C1=C(OCc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095575865 562770488 /nfs/dbraw/zinc/77/04/88/562770488.db2.gz SKJHKJWPPNWDHP-MHZLTWQESA-N 1 2 556.460 5.973 1 30 KKEFLO CC#Cc1cncc(-c2cccc([C@@]3(c4cc(C(F)F)c(=O)n(CC)c4)NC(=[NH2+])c4c3cccc4F)c2)c1 ZINC000095577697 562771088 /nfs/dbraw/zinc/77/10/88/562771088.db2.gz GZUAKTAFZQGCMX-PMERELPUSA-N 1 2 512.535 5.389 1 30 KKEFLO CC[C@@H](C)C1=CC(C=CC(=O)c2ccc(O)cc2)=CC(=CNCCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000102974397 562813808 /nfs/dbraw/zinc/81/38/08/562813808.db2.gz QKZNMAMOPDKHNQ-HFTPVNFESA-N 1 2 542.079 6.790 1 30 KKEFLO CC[C@@H](C)C1=CC(C=CC(=O)c2ccc(O)cc2)=CC(=CNCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000102974489 562813861 /nfs/dbraw/zinc/81/38/61/562813861.db2.gz YVVZDGCSTIBOMD-TXFKAVCVSA-N 1 2 528.052 6.400 1 30 KKEFLO N#Cc1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000103240099 562819390 /nfs/dbraw/zinc/81/93/90/562819390.db2.gz RZMMCSLLKMFQSA-UHFFFAOYSA-N 1 2 551.716 6.070 1 30 KKEFLO CO[C@H](C[NH2+][C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F ZINC000115426654 562828876 /nfs/dbraw/zinc/82/88/76/562828876.db2.gz MAEHMJITDBHYRU-YADHBBJMSA-N 1 2 520.876 6.546 1 30 KKEFLO O=C(C[N+]12CC[N+](CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC1)CC2)[N-]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150568600 562845045 /nfs/dbraw/zinc/84/50/45/562845045.db2.gz PVYMLLQOJGYKOS-UHFFFAOYSA-P 1 2 920.468 7.137 1 30 KKEFLO CN1CC[C@@H](C(=O)N2C/C(=C\c3ccc(F)cc3)C(=O)[C@@]3(C2)[C@H](c2ccc(F)cc2)C[N@H+](C)[C@]32C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000150603199 562847429 /nfs/dbraw/zinc/84/74/29/562847429.db2.gz JBSBVWSGDQEAHW-QGBZOZHCSA-N 1 2 713.785 5.122 1 30 KKEFLO CN1CC[C@@H](C(=O)N2C/C(=C\c3ccc(F)cc3)C(=O)[C@@]3(C2)[C@H](c2ccc(F)cc2)C[N@@H+](C)[C@]32C(=O)Nc3ccccc32)[C@@]12C(=O)Nc1ccccc12 ZINC000150603199 562847430 /nfs/dbraw/zinc/84/74/30/562847430.db2.gz JBSBVWSGDQEAHW-QGBZOZHCSA-N 1 2 713.785 5.122 1 30 KKEFLO C/C(C[N@@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O ZINC000168466213 562851425 /nfs/dbraw/zinc/85/14/25/562851425.db2.gz NVVIWHKFPHLXDW-YZUOUUPESA-N 1 2 582.689 5.479 1 30 KKEFLO C/C(C[N@H+]1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O ZINC000168466213 562851426 /nfs/dbraw/zinc/85/14/26/562851426.db2.gz NVVIWHKFPHLXDW-YZUOUUPESA-N 1 2 582.689 5.479 1 30 KKEFLO O=C1c2ccc(/[NH+]=C(\c3ccccc3)N3CCCCC3)cc2C(=O)c2ccc(/N=C(\c3ccccc3)N3CCCCC3)cc21 ZINC000169324847 562857511 /nfs/dbraw/zinc/85/75/11/562857511.db2.gz GRBCBNOMTATTFX-HVMBLDELSA-N 1 2 580.732 7.590 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701060 562867933 /nfs/dbraw/zinc/86/79/33/562867933.db2.gz GLNKCDRYXMWYNU-UHFFFAOYSA-N 1 2 748.531 8.433 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c1Cl ZINC000169701062 562867982 /nfs/dbraw/zinc/86/79/82/562867982.db2.gz BTLVQUYIPQFVCM-LJAQVGFWSA-N 1 2 800.510 7.998 1 30 KKEFLO C=CCOc1cc(=O)n(-c2ccc(Oc3cc[nH+]c(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1 ZINC000205994607 562876099 /nfs/dbraw/zinc/87/60/99/562876099.db2.gz ZIWZSNCUWIEKBJ-UHFFFAOYSA-N 1 2 538.938 5.033 1 30 KKEFLO CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CC[N@@H+](Cc2ccc(C(C)(C)C)nc2)C3)c(F)c1 ZINC000220156827 562878359 /nfs/dbraw/zinc/87/83/59/562878359.db2.gz WCKQYLHFVJAQIX-UHFFFAOYSA-N 1 2 581.798 7.617 1 30 KKEFLO CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CC[N@H+](Cc2ccc(C(C)(C)C)nc2)C3)c(F)c1 ZINC000220156827 562878360 /nfs/dbraw/zinc/87/83/60/562878360.db2.gz WCKQYLHFVJAQIX-UHFFFAOYSA-N 1 2 581.798 7.617 1 30 KKEFLO CC[C@@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc21 ZINC000299831602 562885616 /nfs/dbraw/zinc/88/56/16/562885616.db2.gz FBXKBOHRDCVIOB-PLTNMMHCSA-N 1 2 604.747 8.006 1 30 KKEFLO CC[C@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc21 ZINC000299831589 562885621 /nfs/dbraw/zinc/88/56/21/562885621.db2.gz FBXKBOHRDCVIOB-GEFUHLBYSA-N 1 2 604.747 8.006 1 30 KKEFLO S=c1n(C[NH+]2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccncc1 ZINC000299833688 562886282 /nfs/dbraw/zinc/88/62/82/562886282.db2.gz VWIOFCHCFCYBAX-FDAWAROLSA-N 1 2 552.535 6.776 1 30 KKEFLO COc1ccc(-c2cc3cc([C@@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299838895 562888017 /nfs/dbraw/zinc/88/80/17/562888017.db2.gz WKIUXCZTYUHFNS-PMERELPUSA-N 1 2 606.719 7.234 1 30 KKEFLO C[C@H](O)CNc1nc(-n2ccnc2Cc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)cc[nH+]1 ZINC000299840527 562888561 /nfs/dbraw/zinc/88/85/61/562888561.db2.gz XWNZMPOTHOEKSF-NRFANRHFSA-N 1 2 561.671 5.321 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CC[NH+](CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)n1 ZINC000299852083 562890855 /nfs/dbraw/zinc/89/08/55/562890855.db2.gz NARAPNRHRRNAPL-UHFFFAOYSA-N 1 2 525.440 5.579 1 30 KKEFLO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)N1CC[NH+](C)CC1 ZINC000299870582 562895528 /nfs/dbraw/zinc/89/55/28/562895528.db2.gz WMMJBPINMKGIKJ-KANAAYPNSA-N 1 2 594.881 6.529 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[N@@H+]4CCCC[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691235 562906743 /nfs/dbraw/zinc/90/67/43/562906743.db2.gz MAYAWDJAGLJSLO-FQEVSTJZSA-N 1 2 562.642 5.610 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[N@H+]4CCCC[C@@H]4C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691235 562906744 /nfs/dbraw/zinc/90/67/44/562906744.db2.gz MAYAWDJAGLJSLO-FQEVSTJZSA-N 1 2 562.642 5.610 1 30 KKEFLO C=C(/C=C/C=C(/CO)[C@@H]1[C@@H](O)[C@]23C[C@H]1CCC[C@@]2(O)CCC(=C(C)C(=O)Cc1cccc2c1OC(=O)N[C@@H]2[NH3+])[C@H]3CCCO)CCC=C(C)C ZINC000085567082 517314056 /nfs/dbraw/zinc/31/40/56/517314056.db2.gz LXOLGHBFLWMMIY-RFIPUQCISA-N 1 2 688.906 6.032 1 30 biogenic,in-vitro KKEFLO CC(C)=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000005544669 561696695 /nfs/dbraw/zinc/69/66/95/561696695.db2.gz XPTZUSQDKZKTMO-UHFFFAOYSA-N 1 2 592.743 7.255 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1CC1CC1)c1ccc(C#N)cc1 ZINC000013587398 561720628 /nfs/dbraw/zinc/72/06/28/561720628.db2.gz XPKOMAYTINMMOL-MUUNZHRXSA-N 1 2 509.997 5.362 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000013587391 561720676 /nfs/dbraw/zinc/72/06/76/561720676.db2.gz BHKKLGROGAROGK-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OCC[NH+]5CCOCC5)c(OC)cc4cc32)c(C)cc1Cl ZINC000014210862 561737994 /nfs/dbraw/zinc/73/79/94/561737994.db2.gz CFGXCBZBBBSXAD-UHFFFAOYSA-N 1 2 533.028 5.693 1 30 KKEFLO N#CN=C(Nc1ccc(Cl)cc1Cl)N[C@@H](Cn1cc[nH+]c1)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000025979683 561763827 /nfs/dbraw/zinc/76/38/27/561763827.db2.gz QTGGFCDESWTBBI-SFHVURJKSA-N 1 2 535.279 6.508 1 30 KKEFLO COc1ccc([C@@](C#N)(CCCCC[NH+]2Cc3cc(Cl)c(Cl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263124 561775755 /nfs/dbraw/zinc/77/57/55/561775755.db2.gz IUXVTTIEWNQBCE-PMERELPUSA-N 1 2 555.571 8.406 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OC[C@@H](OC)c2ccccc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576728 561800561 /nfs/dbraw/zinc/80/05/61/561800561.db2.gz CKUOMENNSDBZLX-PETYOPLCSA-N 1 2 521.613 6.277 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026578175 561802820 /nfs/dbraw/zinc/80/28/20/561802820.db2.gz MOUCZLGFFQYULK-XWGMSIGLSA-N 1 2 522.557 5.998 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@H](C#Cc2ccccc2)C1C(=O)OC[C@H]1COC(C)(C)O1 ZINC000026824836 561821755 /nfs/dbraw/zinc/82/17/55/561821755.db2.gz MQSZJAFZHAIISG-VAANPZKOSA-N 1 2 501.579 5.041 1 30 KKEFLO CC1(C)[C@@H]2CC[C@]3(C)[C@@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCC[NH+]6CCOCC6)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000026971395 561830441 /nfs/dbraw/zinc/83/04/41/561830441.db2.gz XFRTZQVQSDWZBI-VNSLQSGGSA-N 1 2 582.870 5.776 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027318448 561852173 /nfs/dbraw/zinc/85/21/73/561852173.db2.gz IGCORMDACWRGMB-WJOKGBTCSA-N 1 2 630.026 7.054 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000027319922 561852386 /nfs/dbraw/zinc/85/23/86/561852386.db2.gz VRUYMJKZIKNSKH-VWLOTQADSA-N 1 2 553.928 5.387 1 30 KKEFLO CCCNC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027865861 561887682 /nfs/dbraw/zinc/88/76/82/561887682.db2.gz XVCQSJIWCHFYHH-UPYCNMTISA-N 1 2 735.358 7.621 1 30 KKEFLO CCCNC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027865861 561887685 /nfs/dbraw/zinc/88/76/85/561887685.db2.gz XVCQSJIWCHFYHH-UPYCNMTISA-N 1 2 735.358 7.621 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1 ZINC000027867910 561887817 /nfs/dbraw/zinc/88/78/17/561887817.db2.gz YTNHTOWZLCEQAJ-XKKMXDRASA-N 1 2 708.288 7.097 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)c1 ZINC000027867910 561887819 /nfs/dbraw/zinc/88/78/19/561887819.db2.gz YTNHTOWZLCEQAJ-XKKMXDRASA-N 1 2 708.288 7.097 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(F)c(C(F)(F)F)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028342058 561914260 /nfs/dbraw/zinc/91/42/60/561914260.db2.gz BLJYZDNOIAHURN-VWLOTQADSA-N 1 2 533.447 7.442 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NC[C@H]2CCCO2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352670 561915760 /nfs/dbraw/zinc/91/57/60/561915760.db2.gz WISKOZINSNUMIP-FUFSCUOVSA-N 1 2 572.591 6.141 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NCc2cccc(F)c2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028357070 561916279 /nfs/dbraw/zinc/91/62/79/561916279.db2.gz JGQUEDHUYFPAJX-HKBQPEDESA-N 1 2 596.588 7.302 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C(F)(F)F)c(F)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028357955 561916487 /nfs/dbraw/zinc/91/64/87/561916487.db2.gz LYWHAXRXIYZSRW-VWLOTQADSA-N 1 2 533.447 7.442 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2cccc(C#N)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028370639 561918307 /nfs/dbraw/zinc/91/83/07/561918307.db2.gz XLADCPZMAAXJBZ-YTTGMZPUSA-N 1 2 546.030 6.000 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3cccc(Cl)c3)c2)CC1 ZINC000028641970 561943341 /nfs/dbraw/zinc/94/33/41/561943341.db2.gz ISTDZFSLGBFOSM-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5cccc(Cl)c5)c4)n[nH]c2-3)CC1 ZINC000028641970 561943342 /nfs/dbraw/zinc/94/33/42/561943342.db2.gz ISTDZFSLGBFOSM-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5cccc(Cl)c5)c4)n[nH]c2-3)CC1 ZINC000028641970 561943343 /nfs/dbraw/zinc/94/33/43/561943343.db2.gz ISTDZFSLGBFOSM-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CN1CC[NH+](Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2csc(C#CCOc3cccc(Cl)c3)c2)CC1 ZINC000028641970 561943344 /nfs/dbraw/zinc/94/33/44/561943344.db2.gz ISTDZFSLGBFOSM-UHFFFAOYSA-N 1 2 515.082 5.541 1 30 KKEFLO CCOc1cc2c(cc1C#CCC[NH+]1CCN(C)CC1)ncc(C#N)c2Nc1cc(OC)c(Cl)cc1Cl ZINC000028888081 561978044 /nfs/dbraw/zinc/97/80/44/561978044.db2.gz VKGWONFLJDZUKM-UHFFFAOYSA-N 1 2 538.479 5.553 1 30 KKEFLO COc1ccccc1C(=O)N(Cc1c[nH+]cn1Cc1ccc(C#N)cc1)c1ccc(N2CCN(C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000029235383 562009619 /nfs/dbraw/zinc/00/96/19/562009619.db2.gz GNPDUUUZCWSPFE-UHFFFAOYSA-N 1 2 651.192 6.336 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1nc(N2CCC(O)CC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000029338088 562014655 /nfs/dbraw/zinc/01/46/55/562014655.db2.gz GIJSSZXEWXNRRC-LJAQVGFWSA-N 1 2 539.039 5.146 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(Br)cc2)[NH2+]1 ZINC000038153110 562067538 /nfs/dbraw/zinc/06/75/38/562067538.db2.gz PKVLGGQPFGGQOM-IAPPQJPRSA-N 1 2 539.668 8.530 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(OCC)cc2)[NH2+]1 ZINC000043470097 562648642 /nfs/dbraw/zinc/64/86/42/562648642.db2.gz QIOGSICRGGLWNF-MFMCTBQISA-N 1 2 504.825 8.167 1 30 KKEFLO CN(C)S(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000044053227 562651979 /nfs/dbraw/zinc/65/19/79/562651979.db2.gz WMCPAKFBDNNOFF-UHFFFAOYSA-N 1 2 612.583 5.126 1 30 KKEFLO CN(C)S(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000044053227 562651980 /nfs/dbraw/zinc/65/19/80/562651980.db2.gz WMCPAKFBDNNOFF-UHFFFAOYSA-N 1 2 612.583 5.126 1 30 KKEFLO CCNC(=O)O[C@@H]1C[NH2+][C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)C1 ZINC000044388131 562656281 /nfs/dbraw/zinc/65/62/81/562656281.db2.gz IYINYGZMZPUBOK-CTNGQTDRSA-N 1 2 566.058 5.635 1 30 KKEFLO CCCCCCCCC#CCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049766853 562677256 /nfs/dbraw/zinc/67/72/56/562677256.db2.gz XGSFALNOTOFELL-SMCANUKXSA-N 1 2 527.819 7.340 1 30 KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000049767099 562677354 /nfs/dbraw/zinc/67/73/54/562677354.db2.gz AJUYYBJMLMXVMO-NLKCGMTFSA-N 1 2 548.834 7.570 1 30 KKEFLO CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5nc(cc1[nH]2)cc5C(=O)C=Cc1cc(O)cc(O)c1)CC4(C)C)cc3C(=O)C=Cc1cc(O)cc(O)c1 ZINC000049785945 562684210 /nfs/dbraw/zinc/68/42/10/562684210.db2.gz HVVMSIDZVJYXDV-XFXGMUJDSA-N 1 2 694.788 7.970 1 30 KKEFLO CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1n2)cc5C(=O)C=Cc1cc(O)cc(O)c1)CC4(C)C)cc3C(=O)C=Cc1cc(O)cc(O)c1 ZINC000049785945 562684211 /nfs/dbraw/zinc/68/42/11/562684211.db2.gz HVVMSIDZVJYXDV-XFXGMUJDSA-N 1 2 694.788 7.970 1 30 KKEFLO Cc1cccc(C)c1C[NH2+][C@]1(CCC(C)(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049803472 562686122 /nfs/dbraw/zinc/68/61/22/562686122.db2.gz RGLQGAGMCKRGQY-MGBGTMOVSA-N 1 2 650.823 5.551 1 30 KKEFLO Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1C#Cc1c[nH+]c2ccccn12 ZINC000053226526 562696517 /nfs/dbraw/zinc/69/65/17/562696517.db2.gz OHZCHMRAANNRTL-UHFFFAOYSA-N 1 2 518.539 5.146 1 30 KKEFLO C[C@@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)[NH+](C)C ZINC000053226530 562696530 /nfs/dbraw/zinc/69/65/30/562696530.db2.gz HFPGCDPLKGDCOD-KRWDZBQOSA-N 1 2 527.556 5.256 1 30 KKEFLO CC[C@H](CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1)[NH+](CC)CC ZINC000053299148 562697588 /nfs/dbraw/zinc/69/75/88/562697588.db2.gz BXTVJJPJKSYGAH-HSZRJFAPSA-N 1 2 569.637 6.426 1 30 KKEFLO COc1cc(C(=O)/C=C/c2ccccc2Cl)cc(C[NH+]2CCN(c3ccc(C(=O)/C=C/c4ccccc4Cl)cc3)CC2)c1O ZINC000066066558 562709424 /nfs/dbraw/zinc/70/94/24/562709424.db2.gz SWXOTNOPXQFGLL-UNZYHPAISA-N 1 2 627.568 7.822 1 30 KKEFLO O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccc5c(c4)OCO5)ccc3O)CC2)cc1 ZINC000066073809 562709572 /nfs/dbraw/zinc/70/95/72/562709572.db2.gz JXMMACBMWISWRL-NULWQCFISA-N 1 2 616.670 5.964 1 30 KKEFLO O=C(/C=C/c1ccco1)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccco4)ccc3O)CC2)cc1 ZINC000066078815 562710521 /nfs/dbraw/zinc/71/05/21/562710521.db2.gz TTYDHUAQPUMTSY-IFQMDVHZSA-N 1 2 508.574 5.693 1 30 KKEFLO Cn1cccc1/C=C/C(=O)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4cccn4C)ccc3O)CC2)cc1 ZINC000066098200 562710927 /nfs/dbraw/zinc/71/09/27/562710927.db2.gz LEICROFHFSWGQR-WSGPNKEYSA-N 1 2 534.660 5.184 1 30 KKEFLO COc1cc(C#Cc2c3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3n(C)c2-c2c[nH+]cn2C)cc(OC)c1 ZINC000066156417 562713775 /nfs/dbraw/zinc/71/37/75/562713775.db2.gz XKCBJPHVQIYFJZ-UHFFFAOYSA-N 1 2 537.616 5.689 3 30 KKEFLO N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc43)nc(N3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000072116935 562723319 /nfs/dbraw/zinc/72/33/19/562723319.db2.gz VMXXTKKQADBDCX-XIFFEERXSA-N 1 2 693.133 8.411 1 30 KKEFLO COc1ccc(C[NH+]2CCN(c3nc(Nc4ccc(C#N)c(C(F)(F)F)c4)nc(Oc4ccnc5ccccc54)n3)CC2)c(OC)c1OC ZINC000072118875 562723701 /nfs/dbraw/zinc/72/37/01/562723701.db2.gz PACCULHFMIQHHD-UHFFFAOYSA-N 1 2 672.668 6.194 1 30 KKEFLO Cc1ccccc1-c1cc([C@H](OCc2nc(-c3ccc(Cl)cc3)cs2)c2c[nH+]cn2C)ccc1C#N ZINC000072175329 562731329 /nfs/dbraw/zinc/73/13/29/562731329.db2.gz AKTABEVBBOJUOZ-LJAQVGFWSA-N 1 2 511.050 7.350 1 30 KKEFLO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 ZINC000072181248 562732639 /nfs/dbraw/zinc/73/26/39/562732639.db2.gz AGCHZCQJRQROCK-UUWRZZSWSA-N 1 2 571.725 6.209 1 30 KKEFLO COCCOCc1ccc(C[N@@H+]2CCN(Cc3ccc(C(=O)Nc4ccc(C#CC56CC7CC(CC(C7)C5)C6)cc4)cc3)[C@@H](C)C2)cn1 ZINC000072318504 562733262 /nfs/dbraw/zinc/73/32/62/562733262.db2.gz ZCYJIVITFYSOPQ-COEZGFSXSA-N 1 2 646.876 6.771 1 30 KKEFLO COCCOCc1ccc(C[N@H+]2CCN(Cc3ccc(C(=O)Nc4ccc(C#CC56CC7CC(CC(C7)C5)C6)cc4)cc3)[C@@H](C)C2)cn1 ZINC000072318504 562733263 /nfs/dbraw/zinc/73/32/63/562733263.db2.gz ZCYJIVITFYSOPQ-COEZGFSXSA-N 1 2 646.876 6.771 1 30 KKEFLO C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)C[NH+](C)C ZINC000082165163 562741413 /nfs/dbraw/zinc/74/14/13/562741413.db2.gz UPUHXFGPNCJITF-QWDQIWDYSA-N 1 2 653.857 5.356 1 30 KKEFLO O=C(C(=Cc1ccc(Cl)cc1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084652761 562746644 /nfs/dbraw/zinc/74/66/44/562746644.db2.gz QWIVZNXXPJRWBF-ZYVZALAZSA-N 1 2 572.879 8.944 1 30 KKEFLO COc1ccc(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)c(OC)c1OC ZINC000084709148 562750268 /nfs/dbraw/zinc/75/02/68/562750268.db2.gz ULJPESVIHYWAEH-OJXCAAOISA-N 1 2 628.512 8.316 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095553836 562761122 /nfs/dbraw/zinc/76/11/22/562761122.db2.gz YTOWKFZPTZEKKF-AREMUKBSSA-N 1 2 609.708 5.088 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095556247 562761727 /nfs/dbraw/zinc/76/17/27/562761727.db2.gz UNJUKEICOWKRIH-MGBGTMOVSA-N 1 2 742.858 6.671 1 30 KKEFLO CCOc1ccc(N=C2C(=O)N(CCCn3cc[nH+]c3)[C@@H](c3ccc(Br)cc3)C2C(=O)c2ccccc2)cc1 ZINC000095579865 562771699 /nfs/dbraw/zinc/77/16/99/562771699.db2.gz MWROHNWNIMEKPP-LJAQVGFWSA-N 1 2 585.502 6.267 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(I)cc1-c1cccc(C[NH+]2CCC2)c1 ZINC000095580831 562771980 /nfs/dbraw/zinc/77/19/80/562771980.db2.gz KOJJTAQTXUALOC-UHFFFAOYSA-N 1 2 629.505 5.480 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cc[nH+]c(N)c1 ZINC000095582452 562772594 /nfs/dbraw/zinc/77/25/94/562772594.db2.gz YQULFLJWGHJWBJ-UHFFFAOYSA-N 1 2 501.952 5.045 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000096269749 562793016 /nfs/dbraw/zinc/79/30/16/562793016.db2.gz NVCJOKMKSQXMIZ-PASBQLHESA-N 1 2 701.865 8.164 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000096269749 562793017 /nfs/dbraw/zinc/79/30/17/562793017.db2.gz NVCJOKMKSQXMIZ-PASBQLHESA-N 1 2 701.865 8.164 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000096269755 562793026 /nfs/dbraw/zinc/79/30/26/562793026.db2.gz ZUPYZAOBFKGYOS-KQARPPIHSA-N 1 2 564.085 5.550 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000096269755 562793027 /nfs/dbraw/zinc/79/30/27/562793027.db2.gz ZUPYZAOBFKGYOS-KQARPPIHSA-N 1 2 564.085 5.550 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000096269752 562793031 /nfs/dbraw/zinc/79/30/31/562793031.db2.gz IEZUYXINOLBVPZ-WFUNVFJHSA-N 1 2 632.975 6.857 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1 ZINC000096269752 562793032 /nfs/dbraw/zinc/79/30/32/562793032.db2.gz IEZUYXINOLBVPZ-WFUNVFJHSA-N 1 2 632.975 6.857 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000096269746 562793045 /nfs/dbraw/zinc/79/30/45/562793045.db2.gz LYOMGBOTTCNJOL-CALHOEHWSA-N 1 2 600.065 5.828 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000096269746 562793046 /nfs/dbraw/zinc/79/30/46/562793046.db2.gz LYOMGBOTTCNJOL-CALHOEHWSA-N 1 2 600.065 5.828 1 30 KKEFLO CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000096906730 562798847 /nfs/dbraw/zinc/79/88/47/562798847.db2.gz CGIAVWQACWXTJM-FFYHKUAESA-N 1 2 717.690 6.641 1 30 KKEFLO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CCC/C(=C\c3ccc(Cl)cc3Cl)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096934234 562803759 /nfs/dbraw/zinc/80/37/59/562803759.db2.gz AFVNPFLVGAFFDR-SAAQEPDLSA-N 1 2 586.346 8.000 1 30 KKEFLO C[N@H+]1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CCC/C(=C\c3ccc(Cl)cc3Cl)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096934234 562803760 /nfs/dbraw/zinc/80/37/60/562803760.db2.gz AFVNPFLVGAFFDR-SAAQEPDLSA-N 1 2 586.346 8.000 1 30 KKEFLO COc1cc(-c2cc(NC(=O)Nc3ccc(OCC[NH+]4CCOCC4)cc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000103228688 562818046 /nfs/dbraw/zinc/81/80/46/562818046.db2.gz MZJLETJONIHOIL-KEIPNQJHSA-N 1 2 578.666 5.241 1 30 KKEFLO Fc1cc2[nH+]c(N[C@](Cc3ccccc3)(c3cc(F)cc(OC(F)(F)C(F)F)c3)c3ccc(Cl)cn3)[nH]c2c(F)c1 ZINC000103261149 562821328 /nfs/dbraw/zinc/82/13/28/562821328.db2.gz GQXQRBDIIIITDT-HHHXNRCGSA-N 1 2 594.918 7.864 1 30 KKEFLO O[C@H](C[NH2+][C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F ZINC000115421558 562828885 /nfs/dbraw/zinc/82/88/85/562828885.db2.gz RAWCQYTUDGQHNY-RTWAWAEBSA-N 1 2 506.849 5.892 1 30 KKEFLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(OCCCn3cc[nH+]c3)c1)C2=O ZINC000118921526 562831015 /nfs/dbraw/zinc/83/10/15/562831015.db2.gz OJNHHIHBTHPWFG-CSQSKVLJSA-N 1 2 500.683 6.238 1 30 KKEFLO N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@H+](Cc3ccccc3)CC4)c2)c1 ZINC000141656287 562833626 /nfs/dbraw/zinc/83/36/26/562833626.db2.gz UCTQRRUEQFDAMT-MUUNZHRXSA-N 1 2 562.699 6.194 1 30 KKEFLO N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](Cc3ccccc3)CC4)c2)c1 ZINC000141656287 562833627 /nfs/dbraw/zinc/83/36/27/562833627.db2.gz UCTQRRUEQFDAMT-MUUNZHRXSA-N 1 2 562.699 6.194 1 30 KKEFLO N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc43)nc(N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000150587994 562845955 /nfs/dbraw/zinc/84/59/55/562845955.db2.gz QEDTXKBIJYHOLR-WJOKGBTCSA-N 1 2 694.121 7.806 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310117 562854709 /nfs/dbraw/zinc/85/47/09/562854709.db2.gz MFWNOEOPCOPTBK-GDLZYMKVSA-N 1 2 592.700 5.355 1 30 KKEFLO N#CCCSC1=[NH+][C@H](c2cc3cc(Cl)ccc3nc2Cl)C=C(c2cccc(Br)c2)N1 ZINC000169325566 562857610 /nfs/dbraw/zinc/85/76/10/562857610.db2.gz SROBMDCEORNGMR-FQEVSTJZSA-N 1 2 518.267 6.992 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701076 562867971 /nfs/dbraw/zinc/86/79/71/562867971.db2.gz UPXZGTSYONDSLH-UHFFFAOYSA-N 1 2 699.499 7.449 1 30 KKEFLO CCOc1ccccc1[C@@H]1N[C@H](c2ccccc2OCC)C2C(=NOC)C1[C@H](c1ccccc1OCC)[NH2+][C@@H]2c1ccccc1OCC ZINC000195310244 562871665 /nfs/dbraw/zinc/87/16/65/562871665.db2.gz YUJWZTWHYWSIBU-IFPRAJBUSA-N 1 2 649.832 7.988 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299828753 562884578 /nfs/dbraw/zinc/88/45/78/562884578.db2.gz WEUHMOMVFOBCKU-UHFFFAOYSA-N 1 2 614.520 7.609 1 30 KKEFLO CC[C@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299833660 562886216 /nfs/dbraw/zinc/88/62/16/562886216.db2.gz IADMNKNLHKANPO-RQZFFVEVSA-N 1 2 636.745 7.387 1 30 KKEFLO CC[C@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299839875 562888328 /nfs/dbraw/zinc/88/83/28/562888328.db2.gz ZTQOCSXNGUDPBX-PBYQXAPXSA-N 1 2 622.718 6.997 1 30 KKEFLO O=C1[C@H]2[C@@H](C(=O)N1CC#CCN1CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C1c3ccccc3C2c2ccccc21 ZINC000299862000 562893488 /nfs/dbraw/zinc/89/34/88/562893488.db2.gz IZDZQZXGAXVIKY-YASBFDIKSA-N 1 2 613.708 5.567 1 30 KKEFLO O=C1[C@H]2[C@@H](C(=O)N1CC#CC[NH+]1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)C1c3ccccc3C2c2ccccc21 ZINC000299862000 562893489 /nfs/dbraw/zinc/89/34/89/562893489.db2.gz IZDZQZXGAXVIKY-YASBFDIKSA-N 1 2 613.708 5.567 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(N5CCCC5)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000473092263 562897732 /nfs/dbraw/zinc/89/77/32/562897732.db2.gz RYRJMKWBLGRMAT-UHFFFAOYSA-N 1 2 530.554 5.550 1 30 KKEFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc(C#N)c(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)cc2)CC1 ZINC000474603517 562905243 /nfs/dbraw/zinc/90/52/43/562905243.db2.gz CKKUHZQVPYCVKX-UHFFFAOYSA-N 1 2 642.156 6.247 1 30 KKEFLO CC[NH+](CC)CC#Cc1ccnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc12 ZINC000653697105 562907101 /nfs/dbraw/zinc/90/71/01/562907101.db2.gz OBOTVRVJQHCNJH-UHFFFAOYSA-N 1 2 536.604 5.078 1 30 KKEFLO CCOC(=O)c1sc(NCc2c[nH+]cn2Cc2ccc(C#N)cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653714736 562908433 /nfs/dbraw/zinc/90/84/33/562908433.db2.gz IGMVWRILYKDKTP-UHFFFAOYSA-N 1 2 501.999 5.845 1 30 KKEFLO CC(C)(C#N)c1ccc(Nc2c3cc(-c4cnc5ccccc5c4)ccc3[nH+]cc2N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000653735648 562909648 /nfs/dbraw/zinc/90/96/48/562909648.db2.gz DNSMTDDBKVTCLE-UHFFFAOYSA-N 1 2 585.711 5.142 1 30 KKEFLO COc1ccc2cc([C@@H]3c4c(N)c5c([nH+]c4OC4=C3C(=O)CC(C)(C)C4)CCCCC5)c(Cl)nc2c1 ZINC000653882160 562916799 /nfs/dbraw/zinc/91/67/99/562916799.db2.gz RQCFRYUBXHXUOP-QHCPKHFHSA-N 1 2 504.030 6.310 1 30 KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CC1(c2cc(N)[nH+]c(-c4ccnc(N)c4)c2)CCCC1)C3 ZINC000085594017 565150503 /nfs/dbraw/zinc/15/05/03/565150503.db2.gz FCSVOUPYRXFWDB-TVMHKENRSA-N 1 2 626.710 5.113 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H]([NH3+])NCCC(C)C)c1 ZINC000085594050 565150709 /nfs/dbraw/zinc/15/07/09/565150709.db2.gz HTBZYRVCNNLMGS-CMNKCZHESA-N 1 2 604.744 5.521 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)[NH2+]CCC(C)C)c1 ZINC000085594050 565150716 /nfs/dbraw/zinc/15/07/16/565150716.db2.gz HTBZYRVCNNLMGS-CMNKCZHESA-N 1 2 604.744 5.521 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)[nH+]c2c1CCCc1c(N)nccc1-2 ZINC000085593980 565150936 /nfs/dbraw/zinc/15/09/36/565150936.db2.gz ZEBPXUFBXNQBRC-GCGZPEEJSA-N 1 2 652.748 5.428 1 30 biogenic,in-vitro KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587354 561720607 /nfs/dbraw/zinc/72/06/07/561720607.db2.gz HSMBIOOZBSGLTB-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO CCCC[C@H]1CN(Oc2cccc(C(F)(F)F)c2)C(=O)CN1Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000013800812 561730545 /nfs/dbraw/zinc/73/05/45/561730545.db2.gz RYQUTFHCUCTHFO-QHCPKHFHSA-N 1 2 511.548 5.019 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCC[NH+]5CCOCC5)cc4cc32)c(Cl)cc1C ZINC000014945441 561743178 /nfs/dbraw/zinc/74/31/78/561743178.db2.gz OJWZDVSAGBWGLF-UHFFFAOYSA-N 1 2 533.028 5.693 1 30 KKEFLO CC(=O)O[C@H](c1c[nH+]cn1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccc(C#N)cc1 ZINC000014955792 561747521 /nfs/dbraw/zinc/74/75/21/561747521.db2.gz AEABDQQUYLQDMM-PMERELPUSA-N 1 2 522.992 5.628 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(C[NH+]5CCN(C)CC5)cn4)ccc32)c(Cl)cc1Cl ZINC000022450531 561759241 /nfs/dbraw/zinc/75/92/41/561759241.db2.gz XRDHKNJEMDHMPU-UHFFFAOYSA-N 1 2 533.463 5.975 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3ccc(-c4coc(C[NH+]5CCN(C)CC5)c4)cc32)c(Cl)cc1Cl ZINC000023358260 561761939 /nfs/dbraw/zinc/76/19/39/561761939.db2.gz VSCIYMHHGNMWPE-UHFFFAOYSA-N 1 2 522.436 6.173 1 30 KKEFLO CN1CC[NH+](Cc2ccc(-c3cc4ncc(C#N)c(Nc5ccc(Cl)cc5Cl)c4s3)nc2)CC1 ZINC000023357902 561761960 /nfs/dbraw/zinc/76/19/60/561761960.db2.gz SLKOIIGXDPIYBW-UHFFFAOYSA-N 1 2 509.466 6.028 1 30 KKEFLO Cc1c[nH+]cc(C)c1C[C@@H](c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(OCF)c(OC2CCC2)c1 ZINC000026249136 561773726 /nfs/dbraw/zinc/77/37/26/561773726.db2.gz SHTXAVNQIHCYSE-DEOSSOPVSA-N 1 2 571.533 7.622 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2cccc(I)c2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576892 561800750 /nfs/dbraw/zinc/80/07/50/561800750.db2.gz DRFFKZSHHHRKIZ-MMZFVREHSA-N 1 2 603.456 6.694 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027323157 561853029 /nfs/dbraw/zinc/85/30/29/561853029.db2.gz QFVRKKGXFGGVET-HKBQPEDESA-N 1 2 580.475 6.809 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027329543 561854470 /nfs/dbraw/zinc/85/44/70/561854470.db2.gz OJEWQHUSLNOLBT-RUZDIDTESA-N 1 2 583.273 5.905 1 30 KKEFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2cccc(C#N)c2)cc1-c1ccccc1 ZINC000027518111 561861978 /nfs/dbraw/zinc/86/19/78/561861978.db2.gz MPWNTLAGLMZGRW-LJAQVGFWSA-N 1 2 553.688 5.107 1 30 KKEFLO Fc1cccc(C[N@H+](CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)c1 ZINC000028133626 561906227 /nfs/dbraw/zinc/90/62/27/561906227.db2.gz YGVHROBOHHHZLP-UHFFFAOYSA-N 1 2 580.784 8.959 1 30 KKEFLO Fc1cccc(C[N@@H+](CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)c1 ZINC000028133626 561906229 /nfs/dbraw/zinc/90/62/29/561906229.db2.gz YGVHROBOHHHZLP-UHFFFAOYSA-N 1 2 580.784 8.959 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CCC[C@@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028347567 561914992 /nfs/dbraw/zinc/91/49/92/561914992.db2.gz AAWKUFHCCMHBMW-GIGWZHCTSA-N 1 2 572.591 5.512 1 30 KKEFLO Cc1ccccc1-c1cc([C@@H](OCc2ccc(I)cc2)c2c[nH+]cn2C)ccc1C#N ZINC000028348991 561915283 /nfs/dbraw/zinc/91/52/83/561915283.db2.gz OGNVFCQJIFXILQ-AREMUKBSSA-N 1 2 519.386 6.178 1 30 KKEFLO CC(=O)N1CCN(c2nc(CO[C@@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)CC1 ZINC000028353100 561915818 /nfs/dbraw/zinc/91/58/18/561915818.db2.gz WRKNSZOZSIBSSM-SSEXGKCCSA-N 1 2 599.617 5.219 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2ccc(C#N)cc2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028382052 561920405 /nfs/dbraw/zinc/92/04/05/561920405.db2.gz ARZZQBHVZBOAQB-YTTGMZPUSA-N 1 2 546.030 6.000 1 30 KKEFLO Cn1c[nH+]cc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(=O)c(C#N)cn(-c3cccc(Cl)c3)c2c1 ZINC000028391488 561922320 /nfs/dbraw/zinc/92/23/20/561922320.db2.gz MXGFTUCSUMGSGO-MHZLTWQESA-N 1 2 501.373 5.187 1 30 KKEFLO Cn1c[nH+]cc1CN1C[C@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028478189 561928821 /nfs/dbraw/zinc/92/88/21/561928821.db2.gz BFHSSSJPOOPPJC-AREMUKBSSA-N 1 2 627.568 5.425 1 30 KKEFLO N#Cc1cnc2cnc(N[C@H](C[NH+]3CCOCC3)c3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000028529818 561934323 /nfs/dbraw/zinc/93/43/23/561934323.db2.gz BOMGEFCTGNMKPY-RUZDIDTESA-N 1 2 502.981 5.523 1 30 KKEFLO Cc1ncn(CC[NH+]2CCOCC2)c1CNc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000028604181 561940601 /nfs/dbraw/zinc/94/06/01/561940601.db2.gz LAIZZARYEKDANP-UHFFFAOYSA-N 1 2 520.012 5.092 1 30 KKEFLO COc1cccc(NC2=C3C(=O)c4ccccc4[C@@H]4O[NH+]=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@H]34)c1 ZINC000028640430 561942841 /nfs/dbraw/zinc/94/28/41/561942841.db2.gz YGHHTXYMKKFYGD-DITALETJSA-N 1 2 583.088 5.679 1 30 KKEFLO COc1cccc(NC2=C3C(=O)c4ccccc4[C@@H]4O[NH+]=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@@H]34)c1 ZINC000028640433 561942868 /nfs/dbraw/zinc/94/28/68/561942868.db2.gz YGHHTXYMKKFYGD-NDKRRWIDSA-N 1 2 583.088 5.679 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(C)[nH+]c(C)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643671 561944086 /nfs/dbraw/zinc/94/40/86/561944086.db2.gz ZSNIKHPLUXNEGI-KICGJNBOSA-N 1 2 586.839 5.936 1 30 KKEFLO N#Cc1ccc(C[NH+]2CCC(c3nc(C(=O)Nc4nc5cc(C(=O)c6ccccc6)ccc5[nH]4)cs3)CC2)cc1 ZINC000028824712 561969979 /nfs/dbraw/zinc/96/99/79/561969979.db2.gz LCGQAPBOFJFILZ-UHFFFAOYSA-N 1 2 546.656 5.176 1 30 KKEFLO CC1=CC[C@@H]2[C@@H](C1)c1c(OC(=O)CCC[NH+]3CCOCC3)cc(C(C)(C)CCCCC#N)cc1OC2(C)C ZINC000033974936 562037965 /nfs/dbraw/zinc/03/79/65/562037965.db2.gz YRDNBEPFVBMTNP-CLJLJLNGSA-N 1 2 522.730 6.677 1 30 KKEFLO CCCCCCCN(CCCCCCc1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000036331395 562056464 /nfs/dbraw/zinc/05/64/64/562056464.db2.gz XWEJWZFEURMNJW-UHFFFAOYSA-N 1 2 572.744 9.629 1 30 KKEFLO C[C@@H](O[C@H]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036324423 562055333 /nfs/dbraw/zinc/05/53/33/562055333.db2.gz XIRJXRDKXDGDJL-SBEIQJPNSA-N 1 2 557.510 6.680 1 30 KKEFLO CCCCCCCCCCCCc1cn([C@@H](C(=O)Nc2c(OC)cc(OC)cc2OC)c2ccccc2)c[nH+]1 ZINC000036331518 562056646 /nfs/dbraw/zinc/05/66/46/562056646.db2.gz HVJJIHHEOAANCE-WJOKGBTCSA-N 1 2 535.729 7.600 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000038153112 562067574 /nfs/dbraw/zinc/06/75/74/562067574.db2.gz KDSTUYFZFNXEGN-IXCJQBJRSA-N 1 2 505.769 7.676 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1[NH2+][C@@H](c2ccc(N(C)C)cc2)SC1(C)C ZINC000043470089 562648657 /nfs/dbraw/zinc/64/86/57/562648657.db2.gz VTBCKHCSCWRIRR-BVRKHOPBSA-N 1 2 531.895 8.613 1 30 KKEFLO CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000043569779 562649907 /nfs/dbraw/zinc/64/99/07/562649907.db2.gz JSIMJZDWYKAZQS-PWUYWRBVSA-N 1 2 522.796 7.014 1 30 KKEFLO CCCCCCCCN(CCCCCCCC)C(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000044005522 562651445 /nfs/dbraw/zinc/65/14/45/562651445.db2.gz LXTUXZYRGCSJCN-RBJSKKJNSA-N 1 2 522.796 6.966 1 30 KKEFLO Cc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000049762124 562676367 /nfs/dbraw/zinc/67/63/67/562676367.db2.gz JDDYBLQCENZQMM-DLURDTGDSA-N 1 2 580.710 5.116 1 30 KKEFLO Cc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000049762124 562676368 /nfs/dbraw/zinc/67/63/68/562676368.db2.gz JDDYBLQCENZQMM-DLURDTGDSA-N 1 2 580.710 5.116 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771891 562678447 /nfs/dbraw/zinc/67/84/47/562678447.db2.gz LUIZWQFNAWEQSL-KMEUWFIYSA-N 1 2 710.448 6.024 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771891 562678448 /nfs/dbraw/zinc/67/84/48/562678448.db2.gz LUIZWQFNAWEQSL-KMEUWFIYSA-N 1 2 710.448 6.024 1 30 KKEFLO N#Cc1ccc(NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C(Cc4c[nH+]c[nH]4)=Cc4cccnc43)CC2)cc1 ZINC000049775252 562678977 /nfs/dbraw/zinc/67/89/77/562678977.db2.gz GIYVRZCQVADCRE-LJAQVGFWSA-N 1 2 536.039 5.366 1 30 KKEFLO N#Cc1ccc(NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C(Cc4c[nH]c[nH+]4)=Cc4cccnc43)CC2)cc1 ZINC000049775252 562678978 /nfs/dbraw/zinc/67/89/78/562678978.db2.gz GIYVRZCQVADCRE-LJAQVGFWSA-N 1 2 536.039 5.366 1 30 KKEFLO C[C@@H](O[C@H]1CN2C(=O)[C@@H]([NH2+]Cc3cc[nH]n3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049777771 562680506 /nfs/dbraw/zinc/68/05/06/562680506.db2.gz SPOVULTVWLBFKZ-AZHASKMKSA-N 1 2 570.509 5.589 1 30 KKEFLO N#Cc1c(-c2cccc(NC(=O)CC[NH3+])c2)cc(-c2ccc(Br)cc2O)nc1NC(=O)c1cccs1 ZINC000049802510 562685747 /nfs/dbraw/zinc/68/57/47/562685747.db2.gz IDGSICIURZWVAT-UHFFFAOYSA-N 1 2 562.449 5.356 1 30 KKEFLO C=CCn1c2ccccc2c2c1ccc(C[NH+](Cc1ccccn1)Cc1ccc3c(c4ccccc4n3CC=C)c1O)c2O ZINC000049853446 562688881 /nfs/dbraw/zinc/68/88/81/562688881.db2.gz NPKGUIBGVBOCLW-UHFFFAOYSA-N 1 2 578.716 8.283 1 30 KKEFLO N#Cc1c(NC(=O)c2ccco2)nc(-c2ccc(F)cc2O)cc1-c1cccc(NC(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000053243799 562696823 /nfs/dbraw/zinc/69/68/23/562696823.db2.gz KJPTXMKHKFOSHC-HXUWFJFHSA-N 1 2 539.567 5.448 1 30 KKEFLO COc1ccc([C@](C#N)(CCC[N@H+](C)Cc2cc(I)c(O)c(I)c2)C(C)C)cc1OC ZINC000058604135 562700949 /nfs/dbraw/zinc/70/09/49/562700949.db2.gz QECPWCVGJRGAJS-DEOSSOPVSA-N 1 2 648.323 5.948 1 30 KKEFLO COc1ccc([C@](C#N)(CCC[N@@H+](C)Cc2cc(I)c(O)c(I)c2)C(C)C)cc1OC ZINC000058604135 562700950 /nfs/dbraw/zinc/70/09/50/562700950.db2.gz QECPWCVGJRGAJS-DEOSSOPVSA-N 1 2 648.323 5.948 1 30 KKEFLO CCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107613 562721280 /nfs/dbraw/zinc/72/12/80/562721280.db2.gz SCZASTGBHBGCTK-QCWLDUFUSA-N 1 2 503.400 6.429 1 30 KKEFLO CC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109649 562721617 /nfs/dbraw/zinc/72/16/17/562721617.db2.gz VYJBIDWQSXQTKW-GKPLWNPISA-N 1 2 528.410 5.015 1 30 KKEFLO CC(C)Cc1cc(C(=O)NCC2(C#N)CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nn1-c1ccccc1 ZINC000072122735 562724608 /nfs/dbraw/zinc/72/46/08/562724608.db2.gz CKKJZPLJVASRET-UHFFFAOYSA-N 1 2 523.603 5.625 1 30 KKEFLO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(/C=[NH+]/CCCCN(CCCNC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c1C3 ZINC000095541551 562756197 /nfs/dbraw/zinc/75/61/97/562756197.db2.gz IYOLHRLTZAQJJR-DPZDVQJOSA-N 1 2 771.871 6.234 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000095553834 562761098 /nfs/dbraw/zinc/76/10/98/562761098.db2.gz PXUGGKYFSMUVRM-WJOKGBTCSA-N 1 2 633.774 5.702 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4cccc(C#N)c4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555261 562761485 /nfs/dbraw/zinc/76/14/85/562761485.db2.gz CKISTVAGDYEDEE-SSEXGKCCSA-N 1 2 619.747 5.495 1 30 KKEFLO CCCCCCCCN(CCCCCCCC)c1c(-c2c3ccccc3cc3ccccc32)[nH+]c2ccccn21 ZINC000095562450 562763742 /nfs/dbraw/zinc/76/37/42/562763742.db2.gz BMTUGOHKWINPAQ-UHFFFAOYSA-N 1 2 533.804 10.835 1 30 KKEFLO O=C(C1=C(OCc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095575866 562770476 /nfs/dbraw/zinc/77/04/76/562770476.db2.gz SKJHKJWPPNWDHP-HHHXNRCGSA-N 1 2 556.460 5.973 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(Br)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095577551 562771036 /nfs/dbraw/zinc/77/10/36/562771036.db2.gz WOBXABBIVDFJLX-MHZLTWQESA-N 1 2 620.345 6.631 1 30 KKEFLO C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c5cccc[nH+]5)CC4)[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095611970 562785192 /nfs/dbraw/zinc/78/51/92/562785192.db2.gz WEKRCGPVRZAJPE-WFKXUUPUSA-N 1 2 785.042 7.896 1 30 KKEFLO C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c5cccc[nH+]5)CC4)[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095611969 562785224 /nfs/dbraw/zinc/78/52/24/562785224.db2.gz WEKRCGPVRZAJPE-SKMPHOSFSA-N 1 2 785.042 7.896 1 30 KKEFLO C[N@@H+]1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc31)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272729 562794150 /nfs/dbraw/zinc/79/41/50/562794150.db2.gz NYHXERAQTBJURR-BROUMEEFSA-N 1 2 642.824 8.295 1 30 KKEFLO C[N@H+]1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc31)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272729 562794151 /nfs/dbraw/zinc/79/41/51/562794151.db2.gz NYHXERAQTBJURR-BROUMEEFSA-N 1 2 642.824 8.295 1 30 KKEFLO C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926981 562802538 /nfs/dbraw/zinc/80/25/38/562802538.db2.gz MYRICNIFBATRIX-JEGXQRANSA-N 1 2 642.800 5.623 1 30 KKEFLO C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926981 562802539 /nfs/dbraw/zinc/80/25/39/562802539.db2.gz MYRICNIFBATRIX-JEGXQRANSA-N 1 2 642.800 5.623 1 30 KKEFLO CC1=CC(C=CC(=O)c2ccc(F)cc2)=CC(=CNc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C1=O ZINC000102973494 562813793 /nfs/dbraw/zinc/81/37/93/562813793.db2.gz KPZCSOHDAQWNTM-ZKGYAUNSSA-N 1 2 536.006 7.961 1 30 KKEFLO CC[C@@H](C)C1=CC(C=CC(=O)c2ccco2)=CC(=CNc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C1=O ZINC000102973497 562813843 /nfs/dbraw/zinc/81/38/43/562813843.db2.gz FCYLYOVRRUZQBV-HEGWXYAASA-N 1 2 550.058 8.441 1 30 KKEFLO Cc1ccc2c(c1)C(=O)C(=O)N2CCCCn1cc(COc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)nn1 ZINC000103265167 562822101 /nfs/dbraw/zinc/82/21/01/562822101.db2.gz SRSISQAQMCRYCO-MWBNBJEGSA-N 1 2 594.075 5.823 1 30 KKEFLO CC(=O)O[C@H](C[NH2+][C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)C(F)(F)F ZINC000115425349 562828864 /nfs/dbraw/zinc/82/88/64/562828864.db2.gz VIOPHOIUMHFWPZ-PKTZIBPZSA-N 1 2 548.886 6.463 1 30 KKEFLO CCNc1ncc(C#Cc2cc(C(=O)Nc3cc(-n4c[nH+]c(C)c4)cc(C(F)(F)F)c3)ccc2C)cn1 ZINC000140098851 562832933 /nfs/dbraw/zinc/83/29/33/562832933.db2.gz JBPBNXCKEHXPOS-UHFFFAOYSA-N 1 2 504.516 5.382 1 30 KKEFLO Cc1c2c(c(C)c(S(=O)(=O)N=C(N)NCCC[C@H]3C(=O)N(Cc4ccccc4)C[C@H](CCc4ccccc4)[N@H+]3Cc3ccccc3)c1C)CC(C)(C)O2 ZINC000150610099 562848329 /nfs/dbraw/zinc/84/83/29/562848329.db2.gz UWYSHGYCBOHTAU-BAEGBANDSA-N 1 2 735.995 6.613 1 30 KKEFLO Cc1c2c(c(C)c(S(=O)(=O)N=C(N)NCCC[C@H]3C(=O)N(Cc4ccccc4)C[C@H](CCc4ccccc4)[N@@H+]3Cc3ccccc3)c1C)CC(C)(C)O2 ZINC000150610099 562848330 /nfs/dbraw/zinc/84/83/30/562848330.db2.gz UWYSHGYCBOHTAU-BAEGBANDSA-N 1 2 735.995 6.613 1 30 KKEFLO CC(C)(C)C1=CC(C=CC(=O)c2ccc(Br)cc2)=CC(=CNc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C1=O ZINC000150628203 562848959 /nfs/dbraw/zinc/84/89/59/562848959.db2.gz ANALGNBLKXLRNS-SMIZXTIDSA-N 1 2 638.993 9.611 1 30 KKEFLO COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCC[NH+](C)CCCC[N@@H+](C)CCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000162813941 562849327 /nfs/dbraw/zinc/84/93/27/562849327.db2.gz HXWPTNCBCMHDQJ-SDOZPZOWSA-N 1 2 928.356 5.856 1 30 KKEFLO COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCC[NH+](C)CCCC[N@H+](C)CCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000162813941 562849328 /nfs/dbraw/zinc/84/93/28/562849328.db2.gz HXWPTNCBCMHDQJ-SDOZPZOWSA-N 1 2 928.356 5.856 1 30 KKEFLO COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCC[N@@H+](C)CCCC[NH+](C)CCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000162813941 562849329 /nfs/dbraw/zinc/84/93/29/562849329.db2.gz HXWPTNCBCMHDQJ-SDOZPZOWSA-N 1 2 928.356 5.856 1 30 KKEFLO COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCC[N@H+](C)CCCC[NH+](C)CCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000162813941 562849330 /nfs/dbraw/zinc/84/93/30/562849330.db2.gz HXWPTNCBCMHDQJ-SDOZPZOWSA-N 1 2 928.356 5.856 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169309754 562854486 /nfs/dbraw/zinc/85/44/86/562854486.db2.gz KTEINXJMIGCHQB-GDLZYMKVSA-N 1 2 576.701 5.655 1 30 KKEFLO Cn1c2cc(N3CCC[C@H](C(F)(F)F)C3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701030 562867912 /nfs/dbraw/zinc/86/79/12/562867912.db2.gz TYGXHXLXIHUINX-INIZCTEOSA-N 1 2 699.499 7.449 1 30 KKEFLO CC(C)(C)OC(=O)N=C(NCCCC(=O)NCC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC000299827405 562884151 /nfs/dbraw/zinc/88/41/51/562884151.db2.gz GMNZKAGDHITNRZ-UHFFFAOYSA-N 1 2 622.811 5.435 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299828284 562884393 /nfs/dbraw/zinc/88/43/93/562884393.db2.gz UHHRXAAGIGDFHN-UHFFFAOYSA-N 1 2 530.068 6.076 1 30 KKEFLO COc1ccc(-c2cc3cc([C@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836232 562887079 /nfs/dbraw/zinc/88/70/79/562887079.db2.gz MMLXKKXOAACZTO-GDLZYMKVSA-N 1 2 576.693 7.225 1 30 KKEFLO COc1ccc(-c2cc3cc([C@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299838901 562887990 /nfs/dbraw/zinc/88/79/90/562887990.db2.gz WKIUXCZTYUHFNS-SSEXGKCCSA-N 1 2 606.719 7.234 1 30 KKEFLO Cc1cn(-c2ccc(-c3cn([C@@H]4CCc5c(F)cccc5[C@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)c[nH+]1 ZINC000473084226 562896892 /nfs/dbraw/zinc/89/68/92/562896892.db2.gz QZKUUTWEUPOQOZ-PGRDOPGGSA-N 1 2 567.465 6.270 1 30 KKEFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc4ncc(C#N)c(Nc5ccc(OCc6ccccc6)c(Cl)c5)c4c3)cc2)CC1 ZINC000474609000 562905493 /nfs/dbraw/zinc/90/54/93/562905493.db2.gz NHWLKJRZIQBGAG-UHFFFAOYSA-N 1 2 624.166 6.107 1 30 KKEFLO C[C@H](CCCc1ccccc1)CCC[C@@]12[C@@H](O)CC[C@@]3(C)[C@@H]4CCC[C@@H]4[NH2+]N[C@@]4(C[C@](C)(C#CCCC(=O)O4)[C@]1(O)CCC1=CC(=O)OC1)[C@H]23 ZINC000085542001 565140090 /nfs/dbraw/zinc/14/00/90/565140090.db2.gz QMZAFLYGNBHSGW-NKVCRFLRSA-N 1 2 686.934 6.297 1 30 biogenic,in-vitro KKEFLO CCC[C@H](CO)[C@@H]1C[C@@H](Cc2cc[nH+]c(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000085631379 565163724 /nfs/dbraw/zinc/16/37/24/565163724.db2.gz WXGJJIAMMUPHSW-OTUAILNPSA-N 1 2 638.805 5.259 1 30 biogenic,in-vitro KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(Cl)ccc45)cc3)[nH]c(=O)c2C#N)c2ccccc12 ZINC000001862556 561679828 /nfs/dbraw/zinc/67/98/28/561679828.db2.gz JFDBHILMMOEWCY-UHFFFAOYSA-N 1 2 528.999 7.688 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000013489397 561715741 /nfs/dbraw/zinc/71/57/41/561715741.db2.gz ZFDLOBWFRTYYFH-UHFFFAOYSA-N 1 2 517.058 5.092 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)cc1C#Cc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000013554076 561718559 /nfs/dbraw/zinc/71/85/59/561718559.db2.gz CBDOEMKELXJEST-UMSFTDKQSA-N 1 2 504.593 6.536 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000013587392 561720624 /nfs/dbraw/zinc/72/06/24/561720624.db2.gz BHKKLGROGAROGK-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CCC[C@@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000014164595 561737235 /nfs/dbraw/zinc/73/72/35/561737235.db2.gz AAWKUFHCCMHBMW-FUFSCUOVSA-N 1 2 572.591 5.512 1 30 KKEFLO CC(C)c1[nH+]c[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1 ZINC000014977441 561752359 /nfs/dbraw/zinc/75/23/59/561752359.db2.gz AQETZMVKICHRJE-UHFFFAOYSA-N 1 2 513.802 6.864 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc(C(F)(F)F)cc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026575860 561799610 /nfs/dbraw/zinc/79/96/10/561799610.db2.gz APNQNNYXRNUXIN-XWGMSIGLSA-N 1 2 545.557 7.108 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2cccc(I)c2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576891 561800725 /nfs/dbraw/zinc/80/07/25/561800725.db2.gz DRFFKZSHHHRKIZ-XWGMSIGLSA-N 1 2 603.456 6.694 1 30 KKEFLO CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)NCC[NH+]6CCOCC6)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000026971411 561830445 /nfs/dbraw/zinc/83/04/45/561830445.db2.gz XFRTZQVQSDWZBI-KNPCULJYSA-N 1 2 582.870 5.776 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000027329857 561854536 /nfs/dbraw/zinc/85/45/36/561854536.db2.gz BLEVYVOQEISZIT-VWLOTQADSA-N 1 2 538.822 5.796 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000027329861 561854563 /nfs/dbraw/zinc/85/45/63/561854563.db2.gz BLEVYVOQEISZIT-RUZDIDTESA-N 1 2 538.822 5.796 1 30 KKEFLO COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2c[nH+]cn2Cc2ccc(C#N)cc2)cc1-c1ccccc1 ZINC000027518113 561861956 /nfs/dbraw/zinc/86/19/56/561861956.db2.gz CUSBLRWSKDFNRC-LJAQVGFWSA-N 1 2 553.688 5.107 1 30 KKEFLO N=C(NCc1cccs1)NN=Cc1c2ccccc2c(C=NNC(=[NH2+])NCc2cccs2)c2ccccc12 ZINC000027559184 561870232 /nfs/dbraw/zinc/87/02/32/561870232.db2.gz VZMVWBUJXIYJBE-WMFSDKRHSA-N 1 2 538.706 5.412 1 30 KKEFLO Fc1ccc(C[N@H+](CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)cc1 ZINC000028128994 561905336 /nfs/dbraw/zinc/90/53/36/561905336.db2.gz JEZSLGOJAUKXMK-UHFFFAOYSA-N 1 2 580.784 8.959 1 30 KKEFLO Fc1ccc(C[N@@H+](CCC(F)(F)F)Cc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc2C(F)(F)F)cc1 ZINC000028128994 561905337 /nfs/dbraw/zinc/90/53/37/561905337.db2.gz JEZSLGOJAUKXMK-UHFFFAOYSA-N 1 2 580.784 8.959 1 30 KKEFLO CC(=O)N[C@@H]1CCN(c2nc(CO[C@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)C1 ZINC000028348290 561915191 /nfs/dbraw/zinc/91/51/91/561915191.db2.gz BNHGUWSAFIQWGI-HLADLETHSA-N 1 2 599.617 5.265 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NCCc2ccccc2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352693 561915764 /nfs/dbraw/zinc/91/57/64/561915764.db2.gz OSUGBOGDUYJWRZ-JGCGQSQUSA-N 1 2 592.625 7.205 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2cccnc2Br)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028373106 561918738 /nfs/dbraw/zinc/91/87/38/561918738.db2.gz BRLZCDTWHIVOEV-LJAQVGFWSA-N 1 2 600.904 6.286 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2ccccc2C#N)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028373720 561918787 /nfs/dbraw/zinc/91/87/87/561918787.db2.gz AVUINSKBUODDHF-JGCGQSQUSA-N 1 2 546.030 6.000 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2cccc(Cl)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028378668 561919689 /nfs/dbraw/zinc/91/96/89/561919689.db2.gz ZNCWTFCMFYQTSV-HKBQPEDESA-N 1 2 555.465 6.782 1 30 KKEFLO Cn1c[nH+]cc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028478186 561928801 /nfs/dbraw/zinc/92/88/01/561928801.db2.gz BFHSSSJPOOPPJC-SANMLTNESA-N 1 2 627.568 5.425 1 30 KKEFLO O=C(c1ccc(OCC[NH+]2CCOCC2)cc1)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000028643587 561944144 /nfs/dbraw/zinc/94/41/44/561944144.db2.gz HWHIJZSBUGLWCH-VCNVVWDHSA-N 1 2 577.508 5.897 1 30 KKEFLO C=CC[NH+]1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(Cc3cccnc3)CC(OCCC)OCCC)cc2)CC1 ZINC000028761185 561958118 /nfs/dbraw/zinc/95/81/18/561958118.db2.gz VYQOBDLPNBDMFR-UUWRZZSWSA-N 1 2 570.778 5.796 1 30 KKEFLO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)/C(=N\O)c2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000029126180 561998521 /nfs/dbraw/zinc/99/85/21/561998521.db2.gz DDCFMVJIAYONGG-GXVXDJONSA-N 1 2 555.679 5.159 1 30 KKEFLO COc1ccc(C(=O)N(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029237555 562009719 /nfs/dbraw/zinc/00/97/19/562009719.db2.gz SPFKDKSDSZHXEK-UHFFFAOYSA-N 1 2 651.192 6.336 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029249089 562011028 /nfs/dbraw/zinc/01/10/28/562011028.db2.gz YAXJDRSJHWDRKG-UHFFFAOYSA-N 1 2 657.221 5.876 1 30 KKEFLO CSc1ccc(CN2C(=O)N(CCCn3cc[nH+]c3)C(=O)[C@]2(C)c2cccc3ccccc32)cc1C#N ZINC000034790977 562040555 /nfs/dbraw/zinc/04/05/55/562040555.db2.gz OMQYMCBJBYJVGL-LJAQVGFWSA-N 1 2 509.635 5.400 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CC[C@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000036330502 562055927 /nfs/dbraw/zinc/05/59/27/562055927.db2.gz CLEXPFRKZBZIKK-NEKDWFFYSA-N 1 2 558.564 5.121 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000038153084 562067578 /nfs/dbraw/zinc/06/75/78/562067578.db2.gz IOXNBUNNEDDVHD-NEEKEDPPSA-N 1 2 550.850 7.794 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(F)c(Br)c2)[NH2+]1 ZINC000038153122 562067745 /nfs/dbraw/zinc/06/77/45/562067745.db2.gz DFFAFLRZQUCJPN-IAPPQJPRSA-N 1 2 557.658 8.670 1 30 KKEFLO N#Cc1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CC[NH+](Cc4nccs4)CC3)cc2)c1 ZINC000038157846 562069572 /nfs/dbraw/zinc/06/95/72/562069572.db2.gz WJTIVJAGYAGNRP-UHFFFAOYSA-N 1 2 573.619 7.814 1 30 KKEFLO Cc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000042803949 562088607 /nfs/dbraw/zinc/08/86/07/562088607.db2.gz YCAQGIUZBOZZIT-FGGRXUJQSA-N 1 2 553.706 6.164 1 30 KKEFLO Cc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000042803949 562088608 /nfs/dbraw/zinc/08/86/08/562088608.db2.gz YCAQGIUZBOZZIT-FGGRXUJQSA-N 1 2 553.706 6.164 1 30 KKEFLO CN1C[C@H](c2ccc(Br)cc2)[C@]2(C[N@H+](C)C/C(=C\c3ccc(Br)cc3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000043278606 562647296 /nfs/dbraw/zinc/64/72/96/562647296.db2.gz GZWXVZFJJCYRIN-DUNSEXALSA-N 1 2 621.373 5.673 1 30 KKEFLO CN1C[C@H](c2ccc(Br)cc2)[C@]2(C[N@@H+](C)C/C(=C\c3ccc(Br)cc3)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000043278606 562647297 /nfs/dbraw/zinc/64/72/97/562647297.db2.gz GZWXVZFJJCYRIN-DUNSEXALSA-N 1 2 621.373 5.673 1 30 KKEFLO CS(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000043532565 562649424 /nfs/dbraw/zinc/64/94/24/562649424.db2.gz WCIGJVRKRMCCLY-UHFFFAOYSA-N 1 2 583.541 5.280 1 30 KKEFLO CS(=O)(=O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000043532565 562649425 /nfs/dbraw/zinc/64/94/25/562649425.db2.gz WCIGJVRKRMCCLY-UHFFFAOYSA-N 1 2 583.541 5.280 1 30 KKEFLO CN1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)C[N@H+](C)[C@@]21C(=O)Nc2ccccc21 ZINC000044386572 562655926 /nfs/dbraw/zinc/65/59/26/562655926.db2.gz HYQVHLFXLIPSLC-RFZHLFMVSA-N 1 2 532.471 5.455 1 30 KKEFLO CN1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)C[N@@H+](C)[C@@]21C(=O)Nc2ccccc21 ZINC000044386572 562655927 /nfs/dbraw/zinc/65/59/27/562655927.db2.gz HYQVHLFXLIPSLC-RFZHLFMVSA-N 1 2 532.471 5.455 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(C[NH+]5CCOCC5)cn4)ccc32)c(Cl)cc1Cl ZINC000045319101 562660931 /nfs/dbraw/zinc/66/09/31/562660931.db2.gz RSLHSUVMGKXAEL-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO Cn1nc(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(F)c2)c2cnc(NCC[NH+]3CCOCC3)nc21 ZINC000049626973 562667463 /nfs/dbraw/zinc/66/74/63/562667463.db2.gz JPDVKQVKDUTMTK-UHFFFAOYSA-N 1 2 626.537 5.595 1 30 KKEFLO O=C1c2cccc3cccc(c23)[C@]12[N@H+]1CSC[C@H]1[C@H](c1ccc(F)cc1)[C@]21CCC/C(=C\c2ccc(F)cc2)C1=O ZINC000049872492 562690053 /nfs/dbraw/zinc/69/00/53/562690053.db2.gz SSOUBKOWPRDGSW-OMEZVWISSA-N 1 2 563.669 7.505 1 30 KKEFLO O=C1c2cccc3cccc(c23)[C@]12[N@@H+]1CSC[C@H]1[C@H](c1ccc(F)cc1)[C@]21CCC/C(=C\c2ccc(F)cc2)C1=O ZINC000049872492 562690054 /nfs/dbraw/zinc/69/00/54/562690054.db2.gz SSOUBKOWPRDGSW-OMEZVWISSA-N 1 2 563.669 7.505 1 30 KKEFLO CON=C1C2[C@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@@H](c1ccccc1Cl)[NH2+][C@H]2c1ccccc1Cl ZINC000064539114 562707492 /nfs/dbraw/zinc/70/74/92/562707492.db2.gz VDLPKCYOTUOZLF-IKTFRGFKSA-N 1 2 611.400 9.006 1 30 KKEFLO CCCCCCCCCCCCCCCNC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064559290 562708368 /nfs/dbraw/zinc/70/83/68/562708368.db2.gz XQWVCTFUHKLPRW-VWLOTQADSA-N 1 2 570.794 6.667 1 30 KKEFLO CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(C[N@H+](C)C/C(=C\c3ccc(Cl)cc3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000064559491 562708373 /nfs/dbraw/zinc/70/83/73/562708373.db2.gz INHRIJUBCSNESZ-IBPAJAITSA-N 1 2 532.471 5.455 1 30 KKEFLO CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(C[N@@H+](C)C/C(=C\c3ccc(Cl)cc3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000064559491 562708374 /nfs/dbraw/zinc/70/83/74/562708374.db2.gz INHRIJUBCSNESZ-IBPAJAITSA-N 1 2 532.471 5.455 1 30 KKEFLO CCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064559881 562708445 /nfs/dbraw/zinc/70/84/45/562708445.db2.gz PVWYHDSUHVHQDR-QFIPXVFZSA-N 1 2 573.706 5.424 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNc1cc(NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nc[nH+]1 ZINC000066077541 562710338 /nfs/dbraw/zinc/71/03/38/562710338.db2.gz IIAUHVMZWKVZOL-GSWOMDGUSA-N 1 2 602.821 5.040 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNc1cc(NC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[nH+]cn1 ZINC000066077541 562710339 /nfs/dbraw/zinc/71/03/39/562710339.db2.gz IIAUHVMZWKVZOL-GSWOMDGUSA-N 1 2 602.821 5.040 1 30 KKEFLO Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000066079570 562710630 /nfs/dbraw/zinc/71/06/30/562710630.db2.gz MHAZSVGHNFNZJI-UHFFFAOYSA-N 1 2 543.042 6.132 1 30 KKEFLO CCC(=O)N(CCCCCCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000066104305 562711718 /nfs/dbraw/zinc/71/17/18/562711718.db2.gz UXDREEDMMNACPU-UHFFFAOYSA-N 1 2 629.887 6.883 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)C[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc21 ZINC000066112106 562711987 /nfs/dbraw/zinc/71/19/87/562711987.db2.gz IUDTVCXGFXDRDM-UHFFFAOYSA-N 1 2 519.527 5.454 1 30 KKEFLO CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107507 562721297 /nfs/dbraw/zinc/72/12/97/562721297.db2.gz CGIAVWQACWXTJM-WWXJYELYSA-N 1 2 717.690 6.641 1 30 KKEFLO CCCCCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072108643 562721483 /nfs/dbraw/zinc/72/14/83/562721483.db2.gz KMYNXXHKOUAZLS-KTLUUWRGSA-N 1 2 710.761 10.086 1 30 KKEFLO CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000072123763 562724986 /nfs/dbraw/zinc/72/49/86/562724986.db2.gz VCSPEVRRTIFGPA-UHFFFAOYSA-N 1 2 681.759 9.004 1 30 KKEFLO CCCCCCCC[C@H](c1[nH]c2cc(C)c(C)cc2[nH+]1)n1c2ccccc2nc(-c2ccccc2Br)c1=O ZINC000073242404 562736963 /nfs/dbraw/zinc/73/69/63/562736963.db2.gz ZEGCEDPDHKICAF-GDLZYMKVSA-N 1 2 571.563 8.659 3 30 KKEFLO CC1(C)CCCC[C@H]1C=CC(=CC(O)(C(F)(F)F)C(F)(F)F)[NH2+]Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073298338 562737757 /nfs/dbraw/zinc/73/77/57/562737757.db2.gz IVIYVFDVKAIWGC-NFXDRYPYSA-N 1 2 526.434 6.289 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000095535730 562753778 /nfs/dbraw/zinc/75/37/78/562753778.db2.gz DEHZYGZYHJBCHG-BJKOEGOMSA-N 1 2 809.021 5.680 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 ZINC000095535730 562753779 /nfs/dbraw/zinc/75/37/79/562753779.db2.gz DEHZYGZYHJBCHG-BJKOEGOMSA-N 1 2 809.021 5.680 1 30 KKEFLO O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000095536968 562754322 /nfs/dbraw/zinc/75/43/22/562754322.db2.gz YKCXGZQRYFOGDK-VQTQHTQLSA-N 1 2 765.668 7.534 1 30 KKEFLO CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000095536962 562754330 /nfs/dbraw/zinc/75/43/30/562754330.db2.gz UJKOQXXQULEAKZ-MXKZZUJXSA-N 1 2 807.749 8.558 1 30 KKEFLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)N=C(N)N)cc5)c5ccc(Cl)cc5[nH+]c34)cc2)n1 ZINC000095550269 562760068 /nfs/dbraw/zinc/76/00/68/562760068.db2.gz HIPRVNZZYDXAJO-UHFFFAOYSA-N 1 2 730.232 5.207 1 30 KKEFLO C=CCCNc1nc(N2CCC[C@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(NCc2csc(-c3ccccc3)n2)[nH+]1 ZINC000095553682 562761045 /nfs/dbraw/zinc/76/10/45/562761045.db2.gz QLNGYBUVQAEFAW-QHCPKHFHSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000095553682 562761046 /nfs/dbraw/zinc/76/10/46/562761046.db2.gz QLNGYBUVQAEFAW-QHCPKHFHSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)[nH+]c(N2CCC[C@H]2CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000095553682 562761047 /nfs/dbraw/zinc/76/10/47/562761047.db2.gz QLNGYBUVQAEFAW-QHCPKHFHSA-N 1 2 644.749 5.561 1 30 KKEFLO Cc1ccc(N=C2C(=O)N(CCCn3cc[nH+]c3)[C@H](c3ccc(Br)cc3)C2C(=O)c2ccccc2)cc1 ZINC000095572272 562769376 /nfs/dbraw/zinc/76/93/76/562769376.db2.gz IEWLZIRJPPQRJH-MUUNZHRXSA-N 1 2 555.476 6.177 1 30 KKEFLO C[C@@H](NC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O)c1ccccc1 ZINC000095575247 562770253 /nfs/dbraw/zinc/77/02/53/562770253.db2.gz VNRNRYHDZHHYIZ-MNNSJKJDSA-N 1 2 569.503 6.107 1 30 KKEFLO CCCOC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095575636 562770359 /nfs/dbraw/zinc/77/03/59/562770359.db2.gz URXXNFHQRLYEMK-HSZRJFAPSA-N 1 2 508.416 5.183 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccccc2Br)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095577084 562770838 /nfs/dbraw/zinc/77/08/38/562770838.db2.gz ZHHPEOXVARRUTR-HHHXNRCGSA-N 1 2 620.345 6.631 1 30 KKEFLO CC(C)OC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095579308 562771504 /nfs/dbraw/zinc/77/15/04/562771504.db2.gz NRGBWBGUOGGUIL-HSZRJFAPSA-N 1 2 508.416 5.181 1 30 KKEFLO C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@@H](C5)CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c5cccc[nH+]5)CC4)[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095611967 562785207 /nfs/dbraw/zinc/78/52/07/562785207.db2.gz WEKRCGPVRZAJPE-OFPAIXKBSA-N 1 2 785.042 7.896 1 30 KKEFLO C[N@@H+]1C/C(=C\c2cccc(F)c2)C(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272733 562794141 /nfs/dbraw/zinc/79/41/41/562794141.db2.gz ZIEISGCXUZZCJX-YCAGTQFJSA-N 1 2 578.684 6.266 1 30 KKEFLO C[N@H+]1C/C(=C\c2cccc(F)c2)C(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272733 562794142 /nfs/dbraw/zinc/79/41/42/562794142.db2.gz ZIEISGCXUZZCJX-YCAGTQFJSA-N 1 2 578.684 6.266 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272739 562794229 /nfs/dbraw/zinc/79/42/29/562794229.db2.gz QMEIGQAHRBUMJY-IWVNHVMQSA-N 1 2 700.496 7.513 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272739 562794230 /nfs/dbraw/zinc/79/42/30/562794230.db2.gz QMEIGQAHRBUMJY-IWVNHVMQSA-N 1 2 700.496 7.513 1 30 KKEFLO C[C@@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000096906728 562798826 /nfs/dbraw/zinc/79/88/26/562798826.db2.gz SOALKBCBCUSNOF-TWAXUHLDSA-N 1 2 657.569 5.908 1 30 KKEFLO CC[C@H](C)C1=CC(C=CC(=O)c2ccc(O)cc2)=CC(=CNCCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000102974399 562813840 /nfs/dbraw/zinc/81/38/40/562813840.db2.gz QKZNMAMOPDKHNQ-KJABBYTOSA-N 1 2 542.079 6.790 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(S(C)(=O)=O)cc3)CC2)c1 ZINC000103230403 562818175 /nfs/dbraw/zinc/81/81/75/562818175.db2.gz IQKYDAXAJYSYBG-UHFFFAOYSA-N 1 2 534.638 5.356 1 30 KKEFLO O=C1C(=O)N(CCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccc(F)cc21 ZINC000103265147 562822109 /nfs/dbraw/zinc/82/21/09/562822109.db2.gz STQXCUSOLCQIAT-AABVJFSESA-N 1 2 584.011 5.263 1 30 KKEFLO CCCCCCCCCCCC(=O)OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000105369195 562825185 /nfs/dbraw/zinc/82/51/85/562825185.db2.gz VOHNONUKHXVJJN-UHFFFAOYSA-N 1 2 619.838 8.780 1 30 KKEFLO C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1Cl)C[N@@H+](C)[C@@]21c2ccccc2NC1=O ZINC000150603223 562847415 /nfs/dbraw/zinc/84/74/15/562847415.db2.gz YLVDGFLHTCJOCC-YDGHPEPZSA-N 1 2 641.382 6.844 1 30 KKEFLO C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1Cl)C[N@H+](C)[C@@]21c2ccccc2NC1=O ZINC000150603223 562847416 /nfs/dbraw/zinc/84/74/16/562847416.db2.gz YLVDGFLHTCJOCC-YDGHPEPZSA-N 1 2 641.382 6.844 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310116 562854661 /nfs/dbraw/zinc/85/46/61/562854661.db2.gz MFWNOEOPCOPTBK-LJAQVGFWSA-N 1 2 592.700 5.355 1 30 KKEFLO CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)[C@H]([NH3+])Cc5c[nH]c6ccccc56)CC[C@@]34C)[C@@H]2C1 ZINC000169350661 562862853 /nfs/dbraw/zinc/86/28/53/562862853.db2.gz OSJQXWILHFFBDU-NPVIHDMJSA-N 1 2 684.962 8.493 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701070 562867921 /nfs/dbraw/zinc/86/79/21/562867921.db2.gz KFLKUOCOYHECPE-KESTWPANSA-N 1 2 803.598 9.458 1 30 KKEFLO CC(C)(C[N@@H+]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 ZINC000169701090 562867940 /nfs/dbraw/zinc/86/79/40/562867940.db2.gz SWFQNHQEKMAWNJ-PLQXJYEYSA-N 1 2 517.674 5.240 1 30 KKEFLO CC(C)(C[N@H+]1C[C@H]2OC(C)(C)O[C@H]2C1)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCC(C)(C)CC2)c1 ZINC000169701090 562867941 /nfs/dbraw/zinc/86/79/41/562867941.db2.gz SWFQNHQEKMAWNJ-PLQXJYEYSA-N 1 2 517.674 5.240 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701055 562867951 /nfs/dbraw/zinc/86/79/51/562867951.db2.gz NDQZBUBJZPHZIT-UHFFFAOYSA-N 1 2 813.549 9.758 1 30 KKEFLO C[N@@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1 ZINC000220421643 562878489 /nfs/dbraw/zinc/87/84/89/562878489.db2.gz DDRBYDNBUDCUCK-HSZRJFAPSA-N 1 2 500.628 5.014 1 30 KKEFLO C[N@H+]1CCc2nc(NC(=O)c3cccc([C@H]4CCCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1 ZINC000220421643 562878490 /nfs/dbraw/zinc/87/84/90/562878490.db2.gz DDRBYDNBUDCUCK-HSZRJFAPSA-N 1 2 500.628 5.014 1 30 KKEFLO COCc1ccc(C[N@@H+]2CCN(Cc3ccc(C(=O)Nc4ccc(C#CC56CC7CC(CC(C7)C5)C6)cc4)cc3)[C@@H](C)C2)cn1 ZINC000299824618 562883350 /nfs/dbraw/zinc/88/33/50/562883350.db2.gz WGKHIIOJTRYMFF-LIZUPSOTSA-N 1 2 602.823 6.755 1 30 KKEFLO COCc1ccc(C[N@H+]2CCN(Cc3ccc(C(=O)Nc4ccc(C#CC56CC7CC(CC(C7)C5)C6)cc4)cc3)[C@@H](C)C2)cn1 ZINC000299824618 562883351 /nfs/dbraw/zinc/88/33/51/562883351.db2.gz WGKHIIOJTRYMFF-LIZUPSOTSA-N 1 2 602.823 6.755 1 30 KKEFLO COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(C[NH+]3CCCCC3)c2=S)cc1OC ZINC000299824701 562883384 /nfs/dbraw/zinc/88/33/84/562883384.db2.gz BLJUMJLWUCHFPU-HNSNBQBZSA-N 1 2 611.599 7.398 1 30 KKEFLO CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Br)cc(Br)c1OCC#CC[NH+]1CCN(c2ccccn2)CC1 ZINC000299839061 562888022 /nfs/dbraw/zinc/88/80/22/562888022.db2.gz XDUBVCKCSLECGO-UHFFFAOYSA-N 1 2 716.471 5.172 1 30 KKEFLO CC[C@@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299839872 562888326 /nfs/dbraw/zinc/88/83/26/562888326.db2.gz ZTQOCSXNGUDPBX-JJCDCTGGSA-N 1 2 622.718 6.997 1 30 KKEFLO Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5[C@@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)c[nH+]1 ZINC000473084224 562896884 /nfs/dbraw/zinc/89/68/84/562896884.db2.gz QZKUUTWEUPOQOZ-GCJKJVERSA-N 1 2 567.465 6.270 1 30 KKEFLO COc1ccc(/C=C/C(=O)c2ccc(OCCn3cc(CN4C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/4C)nn3)cc2O)cc1OCCC[NH+]1CCOCC1 ZINC000473171764 562903284 /nfs/dbraw/zinc/90/32/84/562903284.db2.gz VNYXZCOJHTZKIT-BSBHRCSMSA-N 1 2 753.941 7.014 1 30 KKEFLO CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#CCC3(NC(=O)c4ccc(F)cc4)CC3)ccc2[nH+]c1N ZINC000584904820 562905824 /nfs/dbraw/zinc/90/58/24/562905824.db2.gz QLQWEADMFLXRFH-UHFFFAOYSA-N 1 2 590.743 6.812 1 30 in-vitro KKEFLO CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCCC[C@H]3c5c(cc6oc(C)cc(O)c-6c5=O)OC(C)(C)[C@@H]3OC4=O)cc(N)[nH+]2)ccn1 ZINC000085593982 565150693 /nfs/dbraw/zinc/15/06/93/565150693.db2.gz OFBHTUNPMQXHJQ-YQIFZTDCSA-N 1 2 682.818 6.959 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)[nH+]c(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593972 565151031 /nfs/dbraw/zinc/15/10/31/565151031.db2.gz LVPJBFHTMFBIFH-SRWRLQPQSA-N 1 2 638.721 5.185 1 30 biogenic,in-vitro KKEFLO COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3cc[nH+]c(N)c3)C[C@@H](CCCC3CCCCC3)C[C@@H]1C(=O)[C@@H](O)C(=O)CC2 ZINC000085631457 565164476 /nfs/dbraw/zinc/16/44/76/565164476.db2.gz YKMKFNOUDKRPTI-AUUHVUKBSA-N 1 2 676.898 7.601 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c4c3C(=C[C@]2(CO)Cc2ccc[nH]2)CCN4)c1 ZINC000085631423 565164655 /nfs/dbraw/zinc/16/46/55/565164655.db2.gz AWYTWWWMFPNAIB-GMRNXGBVSA-N 1 2 614.763 5.268 1 30 biogenic,in-vitro KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(C(=O)c2cccc(F)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000003943487 561689543 /nfs/dbraw/zinc/68/95/43/561689543.db2.gz DGFMNLMTMAKKLC-UHFFFAOYSA-N 1 2 639.156 6.466 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc4cc(OCC[NH+]5CCOCC5)c(OC)cc4cc32)c(Cl)cc1C ZINC000014945445 561743182 /nfs/dbraw/zinc/74/31/82/561743182.db2.gz MVVIZZFYWPTCLZ-UHFFFAOYSA-N 1 2 533.028 5.693 1 30 KKEFLO N#Cc1cnc2c(Br)cc(NCc3cn(CC[NH+]4CCOCC4)cn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000014977474 561752355 /nfs/dbraw/zinc/75/23/55/561752355.db2.gz UHCMXSOOCRBFCF-UHFFFAOYSA-N 1 2 584.881 5.546 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4coc(C[NH+]5CCN(C)CC5)c4)ccc32)c(Cl)cc1Cl ZINC000023358242 561761965 /nfs/dbraw/zinc/76/19/65/561761965.db2.gz MEBNSJCLFXPYII-UHFFFAOYSA-N 1 2 522.436 6.173 1 30 KKEFLO O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000026180025 561771485 /nfs/dbraw/zinc/77/14/85/561771485.db2.gz JRQLUGQQZPCLHN-WDZMWNJRSA-N 1 2 663.486 8.535 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026578513 561803427 /nfs/dbraw/zinc/80/34/27/561803427.db2.gz DQVGGZDGXRHKST-KLZLXOCPSA-N 1 2 505.614 6.522 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026578512 561803430 /nfs/dbraw/zinc/80/34/30/561803430.db2.gz DQVGGZDGXRHKST-KFTJTTPMSA-N 1 2 505.614 6.522 1 30 KKEFLO COc1cc2c(cc1OCCC[NH+]1CCS(=O)CC1)ncc(C#N)c2Nc1ccc(Sc2nccn2C)c(Cl)c1 ZINC000026830688 561822927 /nfs/dbraw/zinc/82/29/27/561822927.db2.gz SJIRAKJORBQMLF-UHFFFAOYSA-N 1 2 597.166 5.230 1 30 KKEFLO N#C[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026997430 561833577 /nfs/dbraw/zinc/83/35/77/561833577.db2.gz SMBHALUVUUYXQI-ILFWFZRHSA-N 1 2 670.770 5.279 1 30 KKEFLO N#C[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026997430 561833579 /nfs/dbraw/zinc/83/35/79/561833579.db2.gz SMBHALUVUUYXQI-ILFWFZRHSA-N 1 2 670.770 5.279 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2ccc(Cl)cc2)c1 ZINC000027318785 561852161 /nfs/dbraw/zinc/85/21/61/561852161.db2.gz AQTMMHDZTUQGJD-HKBQPEDESA-N 1 2 630.026 7.054 1 30 KKEFLO CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1c[nH+]c[nH]1 ZINC000028119987 561904340 /nfs/dbraw/zinc/90/43/40/561904340.db2.gz QIHBCJUYVFGGLJ-UXBLZVDNSA-N 1 2 579.060 6.942 1 30 KKEFLO CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)C=CCc1c[nH]c[nH+]1 ZINC000028119987 561904341 /nfs/dbraw/zinc/90/43/41/561904341.db2.gz QIHBCJUYVFGGLJ-UXBLZVDNSA-N 1 2 579.060 6.942 1 30 KKEFLO Cc1ccccc1-c1cc([C@@H](OCc2csc(-c3ccc(Cl)cc3)n2)c2c[nH+]cn2C)ccc1C#N ZINC000028358475 561916471 /nfs/dbraw/zinc/91/64/71/561916471.db2.gz AFACWXACSVYBRJ-MUUNZHRXSA-N 1 2 511.050 7.350 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1cn(Cc2ccc(C#N)cc2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028382061 561920389 /nfs/dbraw/zinc/92/03/89/561920389.db2.gz ARZZQBHVZBOAQB-JGCGQSQUSA-N 1 2 546.030 6.000 1 30 KKEFLO CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(=O)[nH]2)c1O)C(=O)CC[NH+]1CCCC1 ZINC000028821580 561966397 /nfs/dbraw/zinc/96/63/97/561966397.db2.gz JJLLLNSQFXKXDY-UHFFFAOYSA-N 1 2 593.433 6.468 1 30 KKEFLO CCCCC[NH+]1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(=O)[nH]3)c2O)CC1 ZINC000028821594 561966465 /nfs/dbraw/zinc/96/64/65/561966465.db2.gz VXJHBGJLIFZTRS-UHFFFAOYSA-N 1 2 649.541 7.885 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(C#CCC[NH+]4CCOCC4)c(OC)cc32)c(Cl)cc1Cl ZINC000028888043 561978076 /nfs/dbraw/zinc/97/80/76/561978076.db2.gz VRQPEWWROOGXLL-UHFFFAOYSA-N 1 2 511.409 5.248 1 30 KKEFLO CC(C)[N@H+](Cc1ccccc1)[C@@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)C(=O)NO ZINC000029039842 561990261 /nfs/dbraw/zinc/99/02/61/561990261.db2.gz XTJBWIGVMWHTBK-VWLOTQADSA-N 1 2 565.614 5.048 1 30 KKEFLO CC(C)[N@@H+](Cc1ccccc1)[C@@H](CN(c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)S(C)(=O)=O)C(=O)NO ZINC000029039842 561990262 /nfs/dbraw/zinc/99/02/62/561990262.db2.gz XTJBWIGVMWHTBK-VWLOTQADSA-N 1 2 565.614 5.048 1 30 KKEFLO Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)ncn1CC[NH+]1CCOCC1 ZINC000036177451 562049455 /nfs/dbraw/zinc/04/94/55/562049455.db2.gz AYWJSJSELYMYNB-UHFFFAOYSA-N 1 2 520.012 5.092 1 30 KKEFLO Cc1c(CNc2ccc3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH+]cn1CCN1CCOCC1 ZINC000036177451 562049457 /nfs/dbraw/zinc/04/94/57/562049457.db2.gz AYWJSJSELYMYNB-UHFFFAOYSA-N 1 2 520.012 5.092 1 30 KKEFLO CCCCCCCc1ccc(C(=O)N(CC[NH+]2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1 ZINC000036187819 562050921 /nfs/dbraw/zinc/05/09/21/562050921.db2.gz FKYSYPCWPQLHKU-UHFFFAOYSA-N 1 2 514.714 6.072 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CCC[C@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000036330497 562055943 /nfs/dbraw/zinc/05/59/43/562055943.db2.gz AAWKUFHCCMHBMW-PWUYWRBVSA-N 1 2 572.591 5.512 1 30 KKEFLO C[C@H](O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000036351633 562058775 /nfs/dbraw/zinc/05/87/75/562058775.db2.gz TVYAGYAFMIHBHE-FQEVSTJZSA-N 1 2 549.502 5.658 1 30 KKEFLO C[C@H](O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000036351633 562058776 /nfs/dbraw/zinc/05/87/76/562058776.db2.gz TVYAGYAFMIHBHE-FQEVSTJZSA-N 1 2 549.502 5.658 1 30 KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3CC[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631523 560067885 /nfs/dbraw/zinc/06/78/85/560067885.db2.gz UKFHVIAWFWKYKY-VBTAUBHQSA-N 1 2 574.742 5.613 1 30 biogenic,in-vitro KKEFLO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+]2CCNC(=O)C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043151953 562646385 /nfs/dbraw/zinc/64/63/85/562646385.db2.gz ARORRZNCPONOJX-OUPRXKBMSA-N 1 2 588.568 5.922 1 30 KKEFLO Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+]2CCNC(=O)C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043151953 562646386 /nfs/dbraw/zinc/64/63/86/562646386.db2.gz ARORRZNCPONOJX-OUPRXKBMSA-N 1 2 588.568 5.922 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(OCC)cc2)[NH2+]1 ZINC000043470100 562648640 /nfs/dbraw/zinc/64/86/40/562648640.db2.gz QIOGSICRGGLWNF-JDXGNMNLSA-N 1 2 504.825 8.167 1 30 KKEFLO CCCCCCCCCCCCCCCCCCOC[C@H](CC[P@@](=O)([O-])OCC[N+](C)(C)C)n1cc[nH+]c1 ZINC000044201888 562652567 /nfs/dbraw/zinc/65/25/67/562652567.db2.gz STMPPOWNPIJCBP-PMERELPUSA-O 1 2 558.809 8.001 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(C[NH+]5CCOCC5)nc4)ccc32)c(Cl)cc1Cl ZINC000045255452 562659893 /nfs/dbraw/zinc/65/98/93/562659893.db2.gz DTRUTZQKHMGFHC-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO C[C@H](NC(=O)C(C)(C)Nc1cc(C(F)(F)F)cc[nH+]1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000045254606 562659907 /nfs/dbraw/zinc/65/99/07/562659907.db2.gz YYHJKDYUEKFPTH-GAJHUEQPSA-N 1 2 514.979 6.347 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000049766396 562677038 /nfs/dbraw/zinc/67/70/38/562677038.db2.gz AJUYYBJMLMXVMO-DSDQMRCKSA-N 1 2 548.834 7.570 1 30 KKEFLO C[C@@H](O[C@H]1CN2C(=O)C[C@H]([NH2+]Cc3ccn[nH]3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780236 562681435 /nfs/dbraw/zinc/68/14/35/562681435.db2.gz FZWPLYNQCHPQID-GIKVAJLCSA-N 1 2 570.509 5.589 1 30 KKEFLO CCCCCCCCSc1nc(Cc2cn(CC(=O)N[C@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)c[nH+]2)c[nH]1 ZINC000049820201 562686855 /nfs/dbraw/zinc/68/68/55/562686855.db2.gz FZLRRIXGBPKPET-WJOKGBTCSA-N 1 2 645.826 6.011 1 30 KKEFLO COc1ccc(C/C(=N\O)C(=O)NCCc2cc(Br)c(OCCC[NH+](C)C)c(Br)c2)cc1Br ZINC000049850846 562688804 /nfs/dbraw/zinc/68/88/04/562688804.db2.gz RCOAHKXJTMBQLI-VFCFBJKWSA-N 1 2 650.206 5.045 1 30 KKEFLO CC(C)(C)CC[C@@]1([NH2+]Cc2ccc3ccccc3c2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000058520995 562698597 /nfs/dbraw/zinc/69/85/97/562698597.db2.gz RVURIWXELGVDTH-PGUFJCEWSA-N 1 2 672.829 6.087 1 30 KKEFLO O=C(/C=C/c1cccs1)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4cccs4)ccc3O)CC2)cc1 ZINC000066073814 562709551 /nfs/dbraw/zinc/70/95/51/562709551.db2.gz XGMAWNUZWAVVHF-IFQMDVHZSA-N 1 2 540.710 6.630 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(C#CC[NH+]4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc21 ZINC000066078189 562710436 /nfs/dbraw/zinc/71/04/36/562710436.db2.gz NWFOOLMGGLAOHF-UHFFFAOYSA-N 1 2 500.524 5.867 1 30 KKEFLO Cc1ccsc1/C=C/C(=O)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4sccc4C)ccc3O)CC2)cc1 ZINC000066078812 562710530 /nfs/dbraw/zinc/71/05/30/562710530.db2.gz MWWNTAKNMRGMIJ-WGDLNXRISA-N 1 2 568.764 7.246 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)C[NH+]4CCN(c5ccccc5C(F)(F)F)CC4)cc3)oc21 ZINC000066112104 562711948 /nfs/dbraw/zinc/71/19/48/562711948.db2.gz KAASCPSPDZGBNA-UHFFFAOYSA-N 1 2 519.527 5.454 1 30 KKEFLO CCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107577 562721307 /nfs/dbraw/zinc/72/13/07/562721307.db2.gz AXRDGXXPAUDGAT-NNIBMBRCSA-N 1 2 626.599 7.746 1 30 KKEFLO CCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109730 562721629 /nfs/dbraw/zinc/72/16/29/562721629.db2.gz MHAOEUMICCUCME-QVAGMWBUSA-N 1 2 542.437 5.405 1 30 KKEFLO CN(C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109767 562721690 /nfs/dbraw/zinc/72/16/90/562721690.db2.gz MQMBNBZOJPSGDP-HMZBKAONSA-N 1 2 557.452 5.150 1 30 KKEFLO CCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072110211 562721716 /nfs/dbraw/zinc/72/17/16/562721716.db2.gz XDFYOOQDQNKMDH-XKMRCYARSA-N 1 2 598.545 6.965 1 30 KKEFLO N/C(=N\O)c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4ccc(/C(N)=[NH+]/O)cc4)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000072122061 562724372 /nfs/dbraw/zinc/72/43/72/562724372.db2.gz YPMITMRMTUCDEH-UHFFFAOYSA-N 1 2 645.741 6.126 1 30 KKEFLO Cc1ccccc1-c1cc([C@@H](OCc2nc(-c3ccc(Cl)cc3)cs2)c2c[nH+]cn2C)ccc1C#N ZINC000072175330 562731347 /nfs/dbraw/zinc/73/13/47/562731347.db2.gz AKTABEVBBOJUOZ-GDLZYMKVSA-N 1 2 511.050 7.350 1 30 KKEFLO N#Cc1cccc(C(=O)[C@H](Nc2ccc(Cl)cc2)N[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000084422478 562743023 /nfs/dbraw/zinc/74/30/23/562743023.db2.gz BLCSSYPEKDJKEN-AOYPEHQESA-N 1 2 524.839 6.367 1 30 KKEFLO Cc1ccc(-n2n[o+]c([O-])c2C=Nn2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(C[NH+]3CCCCC3)c2=S)cc1 ZINC000084670836 562748416 /nfs/dbraw/zinc/74/84/16/562748416.db2.gz VINYVLSTJOZWIK-QHCPKHFHSA-O 1 2 560.748 5.369 1 30 KKEFLO C=CCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2C(F)(F)F)nc(NCc2csc(-c3ccccc3)n2)[nH+]1 ZINC000095557459 562762168 /nfs/dbraw/zinc/76/21/68/562762168.db2.gz IBVKAEOZXOEJGB-JOCHJYFZSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2C(F)(F)F)[nH+]1 ZINC000095557459 562762169 /nfs/dbraw/zinc/76/21/69/562762169.db2.gz IBVKAEOZXOEJGB-JOCHJYFZSA-N 1 2 644.749 5.561 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3ccccc3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000095557459 562762170 /nfs/dbraw/zinc/76/21/70/562762170.db2.gz IBVKAEOZXOEJGB-JOCHJYFZSA-N 1 2 644.749 5.561 1 30 KKEFLO CCCOC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095575635 562770365 /nfs/dbraw/zinc/77/03/65/562770365.db2.gz URXXNFHQRLYEMK-QHCPKHFHSA-N 1 2 508.416 5.183 1 30 KKEFLO Cc1ccc(/C=C2\CN(C(=O)[C@H]3C[C@H]4CCC[N@@H+]4[C@]34C(=O)Nc3cc(Cl)ccc34)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000096269748 562793008 /nfs/dbraw/zinc/79/30/08/562793008.db2.gz KPQUHTNSXKRNNN-HUPMBETNSA-N 1 2 592.139 6.167 1 30 KKEFLO Cc1ccc(/C=C2\CN(C(=O)[C@H]3C[C@H]4CCC[N@H+]4[C@]34C(=O)Nc3cc(Cl)ccc34)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000096269748 562793009 /nfs/dbraw/zinc/79/30/09/562793009.db2.gz KPQUHTNSXKRNNN-HUPMBETNSA-N 1 2 592.139 6.167 1 30 KKEFLO C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@H](CCn2cc[nH+]c2)[C@@H]1O ZINC000096273212 562794487 /nfs/dbraw/zinc/79/44/87/562794487.db2.gz HGZNRYUCIVQPFT-CGYXFNIJSA-N 1 2 510.763 6.218 1 30 KKEFLO C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccccc1Cl)C[N@@H+](C)[C@@]21c2ccccc2NC1=O ZINC000103260885 562821249 /nfs/dbraw/zinc/82/12/49/562821249.db2.gz UBLDCFKBHKDJPB-DBTRPOLGSA-N 1 2 572.492 5.537 1 30 KKEFLO C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccccc1Cl)C[N@H+](C)[C@@]21c2ccccc2NC1=O ZINC000103260885 562821250 /nfs/dbraw/zinc/82/12/50/562821250.db2.gz UBLDCFKBHKDJPB-DBTRPOLGSA-N 1 2 572.492 5.537 1 30 KKEFLO Cn1c[nH+]cc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000103263808 562821787 /nfs/dbraw/zinc/82/17/87/562821787.db2.gz DJZAMXRHXDPZOJ-CDZUIXILSA-N 1 2 580.092 5.041 1 30 KKEFLO Cn1c[nH+]cc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000103263830 562821852 /nfs/dbraw/zinc/82/18/52/562821852.db2.gz DJZAMXRHXDPZOJ-XDFJSJKPSA-N 1 2 580.092 5.041 1 30 KKEFLO Cc1ccc2c(c1)C(=O)C(=O)N2CCn1cc(COc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)nn1 ZINC000103265162 562822121 /nfs/dbraw/zinc/82/21/21/562822121.db2.gz ATUGEAHOQQNVOP-MHDJOFBISA-N 1 2 566.021 5.043 1 30 KKEFLO COc1cc(/C=C2\C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCCn1cc[nH+]c1 ZINC000135607842 562831073 /nfs/dbraw/zinc/83/10/73/562831073.db2.gz OINGZYUTNWDDFW-NMCUBHGHSA-N 1 2 528.693 6.455 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(NC(C)C)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000140479636 562833056 /nfs/dbraw/zinc/83/30/56/562833056.db2.gz FXYAYKHUOYATRN-UHFFFAOYSA-N 1 2 518.543 5.770 1 30 KKEFLO CCCC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000141654818 562833635 /nfs/dbraw/zinc/83/36/35/562833635.db2.gz RSXLKHZKDPTRJL-JOCHJYFZSA-N 1 2 502.644 5.308 1 30 KKEFLO CCCC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000141654818 562833636 /nfs/dbraw/zinc/83/36/36/562833636.db2.gz RSXLKHZKDPTRJL-JOCHJYFZSA-N 1 2 502.644 5.308 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(NC5CCCCC5)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000143986483 562835566 /nfs/dbraw/zinc/83/55/66/562835566.db2.gz JMMFXXPAQAEXJE-UHFFFAOYSA-N 1 2 558.608 6.695 1 30 KKEFLO CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/[NH+]=C(\c3ccc(Cl)cc3)N(C)C)cc1C2=O)c1ccc(Cl)cc1 ZINC000169324854 562857525 /nfs/dbraw/zinc/85/75/25/562857525.db2.gz JHKAQHUNKTZJEX-QUTRQNJUSA-N 1 2 569.492 7.049 1 30 KKEFLO COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)[C@@H]([NH3+])CC(=O)OCc5ccccc5)CC[C@@]34C)[C@@H]2C1 ZINC000169350668 562862857 /nfs/dbraw/zinc/86/28/57/562862857.db2.gz UUUWWGUYRAWBRB-HPPZXAQFSA-N 1 2 689.934 7.513 1 30 KKEFLO Cn1c2cc(N3CC[C@@H](F)C3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701058 562867931 /nfs/dbraw/zinc/86/79/31/562867931.db2.gz XYMVJKWTZLPYNB-QGZVFWFLSA-N 1 2 749.515 8.528 1 30 KKEFLO N#Cc1cc(NC(=O)NCC(F)(F)F)cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)c1 ZINC000169704745 562869126 /nfs/dbraw/zinc/86/91/26/562869126.db2.gz YTDZNWZGUHQNSK-UHFFFAOYSA-N 1 2 505.382 5.033 1 30 KKEFLO CC[C@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299833657 562886231 /nfs/dbraw/zinc/88/62/31/562886231.db2.gz IADMNKNLHKANPO-QPHCHLROSA-N 1 2 636.745 7.387 1 30 KKEFLO COc1cc(-c2cc3cc([C@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CCC5)CCCC6)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839036 562888046 /nfs/dbraw/zinc/88/80/46/562888046.db2.gz XANWOKNUPIDLLC-SSEXGKCCSA-N 1 2 622.718 6.997 1 30 KKEFLO CC[C@@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299839878 562888341 /nfs/dbraw/zinc/88/83/41/562888341.db2.gz ZTQOCSXNGUDPBX-VPTFNQTCSA-N 1 2 622.718 6.997 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@@H+](CC)Cc2cccc(C)c2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299867922 562894949 /nfs/dbraw/zinc/89/49/49/562894949.db2.gz QTVYYTOVWCAJAF-DKUAKDNHSA-N 1 2 509.731 5.723 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@H+](CC)Cc2cccc(C)c2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299867922 562894950 /nfs/dbraw/zinc/89/49/50/562894950.db2.gz QTVYYTOVWCAJAF-DKUAKDNHSA-N 1 2 509.731 5.723 1 30 KKEFLO Cc1cn(-c2ccc(-c3cn([C@@H]4CCc5c(F)cccc5[C@@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)c[nH+]1 ZINC000473084228 562896889 /nfs/dbraw/zinc/89/68/89/562896889.db2.gz QZKUUTWEUPOQOZ-XMSQKQJNSA-N 1 2 567.465 6.270 1 30 KKEFLO CN(CC#N)C[C@H]1CC[C@@H](Nc2c(C(=O)C3CC3)c[nH+]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc32)CC1 ZINC000473194485 562903634 /nfs/dbraw/zinc/90/36/34/562903634.db2.gz LXJJKNAYWWVULF-UEDWGHLCSA-N 1 2 521.036 5.841 1 30 KKEFLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(C#N)cc3)n2)cc1 ZINC000653710183 562908067 /nfs/dbraw/zinc/90/80/67/562908067.db2.gz FFZQOBZNUHORDA-UHFFFAOYSA-N 1 2 572.591 6.171 1 30 KKEFLO CC(C)(C#N)c1ccc(Nc2c(NC(=O)C(F)(F)F)c[nH+]c3ccc(-c4cnc5ccccc5c4)cc32)cc1 ZINC000653735680 562909674 /nfs/dbraw/zinc/90/96/74/562909674.db2.gz SMNPDLPJGXXRML-UHFFFAOYSA-N 1 2 525.534 6.917 1 30 KKEFLO CCCC[C@@H]1C[C@@H](Cc2cc[nH+]c(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000085631408 565164672 /nfs/dbraw/zinc/16/46/72/565164672.db2.gz SCHDZXQVLNJUJM-PZKCWLMOSA-N 1 2 678.914 7.629 1 30 biogenic,in-vitro KKEFLO C[C@@H]1C#Cc2cc(N)[nH+]cc2CO[C@H](C[C@H](O)[C@@H]2C=Cc3c(ccc(O)c3OC3CCCCC3)C2)CCC1 ZINC000085628525 291983424 /nfs/dbraw/zinc/98/34/24/291983424.db2.gz REYNTYWKFQEMRW-VWBUHFTISA-N 1 2 516.682 5.774 1 30 biogenic,in-vitro KKEFLO N#CNC(=NCCCn1cc[nH+]c1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000011524190 561709616 /nfs/dbraw/zinc/70/96/16/561709616.db2.gz QASVCVNBLBRDBC-UHFFFAOYSA-N 1 2 564.919 5.207 1 30 KKEFLO COc1cc2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3cc2cc1OCC[NH+]1CCOCC1 ZINC000013673253 561723917 /nfs/dbraw/zinc/72/39/17/561723917.db2.gz RPYAQLOPZBEZFR-UHFFFAOYSA-N 1 2 523.420 6.030 1 30 KKEFLO N#Cc1ccc(C(=O)[C@H](Nc2ccc(Cl)cc2)N[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000025980422 561763790 /nfs/dbraw/zinc/76/37/90/561763790.db2.gz DJTIBRWKPJKQCE-AZGAKELHSA-N 1 2 524.839 6.367 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027312390 561850876 /nfs/dbraw/zinc/85/08/76/561850876.db2.gz JQBMSMWRNHYILW-WJOKGBTCSA-N 1 2 614.920 7.463 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Cl)c1 ZINC000027319928 561852443 /nfs/dbraw/zinc/85/24/43/561852443.db2.gz VRUYMJKZIKNSKH-RUZDIDTESA-N 1 2 553.928 5.387 1 30 KKEFLO C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2C[NH+]2CCCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027424617 561858305 /nfs/dbraw/zinc/85/83/05/561858305.db2.gz QZCMEGCLHDHJRZ-CXAHNHKCSA-N 1 2 601.567 6.255 1 30 KKEFLO CCCCC1(CCCC)CN=C(NN=Cc2c3ccccc3c(C=NNC3=[NH+]CC(CCCC)(CCCC)CN3)c3ccccc23)NC1 ZINC000027560203 561870577 /nfs/dbraw/zinc/87/05/77/561870577.db2.gz BFAJUAXGAJPQEA-HMFMVHCKSA-N 1 2 650.960 8.492 1 30 KKEFLO CCOC(=O)CCCCO/N=C(\c1ccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872527 561888399 /nfs/dbraw/zinc/88/83/99/561888399.db2.gz HQHPTNLIXCXDMV-RMEMLVJXSA-N 1 2 722.315 7.658 1 30 KKEFLO CCOC(=O)CCCCO/N=C(\c1ccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872527 561888401 /nfs/dbraw/zinc/88/84/01/561888401.db2.gz HQHPTNLIXCXDMV-RMEMLVJXSA-N 1 2 722.315 7.658 1 30 KKEFLO CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(=O)/C=C/c1cn(C)c[nH+]1 ZINC000028120519 561904330 /nfs/dbraw/zinc/90/43/30/561904330.db2.gz FAEABHLBQFONPS-ZRDIBKRKSA-N 1 2 579.060 6.867 1 30 KKEFLO Cc1ccccc1-c1cc([C@@H](OCc2cccc(I)c2)c2c[nH+]cn2C)ccc1C#N ZINC000028338524 561913754 /nfs/dbraw/zinc/91/37/54/561913754.db2.gz LFFSUIJNFZPRED-AREMUKBSSA-N 1 2 519.386 6.178 1 30 KKEFLO CC(C)CCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(CC(=NO)C(=O)NCCc2c[nH+]c(N)[nH]2)cc1Br ZINC000028570006 561938482 /nfs/dbraw/zinc/93/84/82/561938482.db2.gz KEIQTUCBMDEBLZ-VDMDNSBISA-N 1 2 742.598 7.081 1 30 KKEFLO CC(C)CCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(C/C(=N/O)C(=O)NCCc2c[nH]c(N)[nH+]2)cc1Br ZINC000028570006 561938484 /nfs/dbraw/zinc/93/84/84/561938484.db2.gz KEIQTUCBMDEBLZ-VDMDNSBISA-N 1 2 742.598 7.081 1 30 KKEFLO C=CC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(C(=O)N(Cc3cccnc3)CC(OCCC)OCCC)cc2)CC1 ZINC000028761183 561958064 /nfs/dbraw/zinc/95/80/64/561958064.db2.gz VYQOBDLPNBDMFR-UMSFTDKQSA-N 1 2 570.778 5.796 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(C(=O)c2ccccc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029238814 562009994 /nfs/dbraw/zinc/00/99/94/562009994.db2.gz UFQVUSBBKQNAAX-UHFFFAOYSA-N 1 2 621.166 6.327 1 30 KKEFLO CCCCCCCCCCCCCCCCCC[NH+]1CCN(Cc2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000036176046 562049185 /nfs/dbraw/zinc/04/91/85/562049185.db2.gz ORLPULOZISVXAZ-UHFFFAOYSA-N 1 2 512.783 7.821 1 30 KKEFLO CS(=O)(=O)N1CCC(CN(c2[nH]c3cc(Cl)c(F)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351857 562059282 /nfs/dbraw/zinc/05/92/82/562059282.db2.gz TWFUCQZIGXSGMC-PFPZSTESSA-N 1 2 556.107 5.215 1 30 KKEFLO COc1cc(C#Cc2c3cc(-c4ccc(OC)c(OC)c4)ccc3n(C)c2-c2c[nH+]cn2C)cc(OC)c1 ZINC000036388645 562060338 /nfs/dbraw/zinc/06/03/38/562060338.db2.gz QQCIGVWLRCQRCK-UHFFFAOYSA-N 1 2 507.590 5.680 3 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(N(C)C)cc2)[NH2+]1 ZINC000038153072 562067534 /nfs/dbraw/zinc/06/75/34/562067534.db2.gz FBTFEAOJEWTTAS-DGPALRBDSA-N 1 2 503.841 7.834 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc(Br)cc2)[NH2+]1 ZINC000038153107 562067581 /nfs/dbraw/zinc/06/75/81/562067581.db2.gz PKVLGGQPFGGQOM-IXCJQBJRSA-N 1 2 539.668 8.530 1 30 KKEFLO N#Cc1cccc(-c2ccc(C(c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)=C3CC[NH+](CC(N)=O)CC3)cc2)c1 ZINC000038157847 562069607 /nfs/dbraw/zinc/06/96/07/562069607.db2.gz SKYQKCDVSYMICA-UHFFFAOYSA-N 1 2 533.529 5.642 1 30 KKEFLO CCCCCCCC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c4c3C(=C[C@@]2(CO)Cc2ccc[nH]2)CCN4)c1 ZINC000085631506 560067876 /nfs/dbraw/zinc/06/78/76/560067876.db2.gz IYHPXUGITCFMJU-JUKUECOXSA-N 1 2 598.764 6.297 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c4c3C(=C[C@@]2(CO)Cc2ccc[nH]2)CCN4)c1 ZINC000085631506 560067877 /nfs/dbraw/zinc/06/78/77/560067877.db2.gz IYHPXUGITCFMJU-JUKUECOXSA-N 1 2 598.764 6.297 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631520 560067905 /nfs/dbraw/zinc/06/79/05/560067905.db2.gz QVPDBSVUTWHWLI-VBTAUBHQSA-N 1 2 572.726 5.693 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631520 560067907 /nfs/dbraw/zinc/06/79/07/560067907.db2.gz QVPDBSVUTWHWLI-VBTAUBHQSA-N 1 2 572.726 5.693 1 30 biogenic,in-vitro KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000043153582 562646436 /nfs/dbraw/zinc/64/64/36/562646436.db2.gz CUKBELAHMLXBPS-FREGXXQWSA-N 1 2 520.824 7.785 1 30 KKEFLO CCCCCCCCSc1nc(Cc2cn(CC(=O)N[C@@H](Cc3ccccc3)C(=O)OCc3ccccc3)c[nH+]2)c[nH]1 ZINC000043260819 562647267 /nfs/dbraw/zinc/64/72/67/562647267.db2.gz JDBXXSOSDHEHPS-PMERELPUSA-N 1 2 587.790 6.121 1 30 KKEFLO CN1CC[NH+](Cc2ccc(-c3ccc4c(c3)ncc(C#N)c4Nc3ccc(Cl)cc3Cl)nc2)CC1 ZINC000045244922 562659677 /nfs/dbraw/zinc/65/96/77/562659677.db2.gz PUPJNCZQOQCZBP-UHFFFAOYSA-N 1 2 503.437 5.966 1 30 KKEFLO NC(=[NH2+])Nc1nc(-c2cccc(NC(=O)NCCc3c[nH]c4ccc(OCc5ccccc5)cc34)c2)cs1 ZINC000045302575 562660681 /nfs/dbraw/zinc/66/06/81/562660681.db2.gz OXONONGBRRFEES-UHFFFAOYSA-N 1 2 525.638 5.140 1 30 KKEFLO C[C@@H]([NH+]=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(C#N)cc1O)c1ccc(Br)cc1 ZINC000045324863 562661230 /nfs/dbraw/zinc/66/12/30/562661230.db2.gz DBENLDMVFRWKLW-LJQANCHMSA-N 1 2 511.423 7.335 1 30 KKEFLO CCOP(=O)(CCC[NH+]1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000045484828 562662591 /nfs/dbraw/zinc/66/25/91/562662591.db2.gz DKCFSSFUDZXFAJ-CRYYDKFDSA-N 1 2 539.657 5.827 1 30 KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000049762235 562676397 /nfs/dbraw/zinc/67/63/97/562676397.db2.gz HGPSVGGKDMVPFK-LRNVGBRBSA-N 1 2 518.808 7.561 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000049767186 562677421 /nfs/dbraw/zinc/67/74/21/562677421.db2.gz LSNXVDANKZNQHX-KQFQCMSKSA-N 1 2 576.549 5.898 1 30 KKEFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@H+](CCC(F)(F)F)Cc4cccc(F)c4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777048 562679612 /nfs/dbraw/zinc/67/96/12/562679612.db2.gz SXINPVDRPOZYLD-UHFFFAOYSA-N 1 2 560.945 7.816 1 30 KKEFLO Cc1cc(C)c(-n2c(Cl)cn3c(C[N@@H+](CCC(F)(F)F)Cc4cccc(F)c4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049777048 562679613 /nfs/dbraw/zinc/67/96/13/562679613.db2.gz SXINPVDRPOZYLD-UHFFFAOYSA-N 1 2 560.945 7.816 1 30 KKEFLO CCCCCCCCCCCCCCCCCC[N@@H+]1CCN(Cc2ccc(-c3nc(=O)o[nH]3)cc2)C(=O)C1 ZINC000049783639 562683163 /nfs/dbraw/zinc/68/31/63/562683163.db2.gz BWMUTCHCWBANRO-UHFFFAOYSA-N 1 2 526.766 6.936 1 30 KKEFLO CCCCCCCCCCCCCCCCCC[N@H+]1CCN(Cc2ccc(-c3nc(=O)o[nH]3)cc2)C(=O)C1 ZINC000049783639 562683164 /nfs/dbraw/zinc/68/31/64/562683164.db2.gz BWMUTCHCWBANRO-UHFFFAOYSA-N 1 2 526.766 6.936 1 30 KKEFLO Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000049785850 562684195 /nfs/dbraw/zinc/68/41/95/562684195.db2.gz NIAJEEMQNUPFJB-CMDGGOBGSA-N 1 2 540.693 5.043 1 30 KKEFLO N#Cc1c(NC(=O)c2ccco2)nc(-c2ccc(F)cc2O)cc1-c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000053294655 562697275 /nfs/dbraw/zinc/69/72/75/562697275.db2.gz RSYNYLIYCFUNTG-LJQANCHMSA-N 1 2 525.540 5.058 1 30 KKEFLO N#Cc1c(-c2cccc(NC(=O)C[NH+]3CCCCC3)c2)cc(-c2ccc(F)cc2O)nc1NC(=O)c1ccco1 ZINC000053296554 562697394 /nfs/dbraw/zinc/69/73/94/562697394.db2.gz BUCTUHCCKBUAHS-UHFFFAOYSA-N 1 2 539.567 5.402 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H]([NH2+]CCc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058583631 562700178 /nfs/dbraw/zinc/70/01/78/562700178.db2.gz NWTSKFFYRKGTAR-YBEUFJBCSA-N 1 2 561.895 8.543 1 30 KKEFLO C=C(C[NH+]1CCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058598991 562700790 /nfs/dbraw/zinc/70/07/90/562700790.db2.gz JFIIULISSXNFKU-LOYHVIPDSA-N 1 2 597.703 6.028 1 30 KKEFLO CC(C)(C#N)c1ccc(Nc2nc(N3CCCCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064559552 562708427 /nfs/dbraw/zinc/70/84/27/562708427.db2.gz LNVDMVMPFFDPMA-UHFFFAOYSA-N 1 2 535.618 6.031 1 30 KKEFLO CCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064573603 562708708 /nfs/dbraw/zinc/70/87/08/562708708.db2.gz DSPQRFVDWMQVMI-SANMLTNESA-N 1 2 629.814 6.985 1 30 KKEFLO O=C(/C=C/c1ccccn1)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccccn4)ccc3O)CC2)cc1 ZINC000066098869 562710996 /nfs/dbraw/zinc/71/09/96/562710996.db2.gz OAPPPOGXHHSWEZ-RWPWKDLBSA-N 1 2 530.628 5.297 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@H]2c2ccccc2)cc1 ZINC000066113905 562712265 /nfs/dbraw/zinc/71/22/65/562712265.db2.gz LRGWWVBOUHPAGA-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@H]2c2ccccc2)cc1 ZINC000066113905 562712266 /nfs/dbraw/zinc/71/22/66/562712266.db2.gz LRGWWVBOUHPAGA-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@H]2c2ccccc2)cc1 ZINC000066113905 562712267 /nfs/dbraw/zinc/71/22/67/562712267.db2.gz LRGWWVBOUHPAGA-LJAQVGFWSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@H]2c2ccccc2)cc1 ZINC000066113911 562712297 /nfs/dbraw/zinc/71/22/97/562712297.db2.gz ORXDRVROZDUWIR-DHUJRADRSA-N 1 2 551.694 6.559 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@H]2c2ccccc2)cc1 ZINC000066113911 562712298 /nfs/dbraw/zinc/71/22/98/562712298.db2.gz ORXDRVROZDUWIR-DHUJRADRSA-N 1 2 551.694 6.559 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3ccccc3-c3ccccc3)CC[C@H]2c2ccccc2)cc1 ZINC000066113911 562712299 /nfs/dbraw/zinc/71/22/99/562712299.db2.gz ORXDRVROZDUWIR-DHUJRADRSA-N 1 2 551.694 6.559 1 30 KKEFLO CCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107280 562721225 /nfs/dbraw/zinc/72/12/25/562721225.db2.gz NJAOKUKZBFTDSJ-LJAQVGFWSA-N 1 2 532.482 7.721 1 30 KKEFLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107474 562721272 /nfs/dbraw/zinc/72/12/72/562721272.db2.gz AUAXOVOFCBVKRV-RIHUUHGXSA-N 1 2 683.607 6.394 1 30 KKEFLO CCCCCCCCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107958 562721400 /nfs/dbraw/zinc/72/14/00/562721400.db2.gz FJOYEEPYWFYICH-PGUFJCEWSA-N 1 2 616.644 10.061 1 30 KKEFLO CCCCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072108635 562721443 /nfs/dbraw/zinc/72/14/43/562721443.db2.gz FNLCKPRKHBDZDD-BQNXFWFHSA-N 1 2 601.589 9.160 1 30 KKEFLO COc1cc(F)c(C(C)C)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000072123762 562724982 /nfs/dbraw/zinc/72/49/82/562724982.db2.gz OWJPXIXEZGCOBM-UHFFFAOYSA-N 1 2 645.779 8.469 1 30 KKEFLO COc1ccc([C@@](C#N)(CCC[N@H+](C)Cc2cc(I)c(O)c(I)c2)C(C)C)cc1OC ZINC000072132628 562726864 /nfs/dbraw/zinc/72/68/64/562726864.db2.gz QECPWCVGJRGAJS-XMMPIXPASA-N 1 2 648.323 5.948 1 30 KKEFLO COc1ccc([C@@](C#N)(CCC[N@@H+](C)Cc2cc(I)c(O)c(I)c2)C(C)C)cc1OC ZINC000072132628 562726865 /nfs/dbraw/zinc/72/68/65/562726865.db2.gz QECPWCVGJRGAJS-XMMPIXPASA-N 1 2 648.323 5.948 1 30 KKEFLO CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000082137962 562739079 /nfs/dbraw/zinc/73/90/79/562739079.db2.gz FLUICZCVDBUYCU-PMERELPUSA-N 1 2 685.922 8.545 1 30 KKEFLO COc1ccc(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000084709145 562750248 /nfs/dbraw/zinc/75/02/48/562750248.db2.gz AAYYQVXFAVDPLA-NKTJIHRWSA-N 1 2 598.486 8.308 1 30 KKEFLO O=C(Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21)C(F)(F)C(F)(F)C(F)(F)F ZINC000095555562 562761570 /nfs/dbraw/zinc/76/15/70/562761570.db2.gz GIBPVFXLFOCPIP-UHFFFAOYSA-N 1 2 518.820 6.753 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1cc[nH+]c(N)c1 ZINC000095584881 562773381 /nfs/dbraw/zinc/77/33/81/562773381.db2.gz ZNBJMQILIBZGMI-UHFFFAOYSA-N 1 2 518.407 5.559 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(I)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095573243 562769614 /nfs/dbraw/zinc/76/96/14/562769614.db2.gz ZIBFEKXQNRXNQN-HHHXNRCGSA-N 1 2 667.345 6.473 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(I)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095573244 562769632 /nfs/dbraw/zinc/76/96/32/562769632.db2.gz ZIBFEKXQNRXNQN-MHZLTWQESA-N 1 2 667.345 6.473 1 30 KKEFLO O=C(C1=C(NCc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095577626 562771032 /nfs/dbraw/zinc/77/10/32/562771032.db2.gz AOMKCWNJTKKWEM-NDEPHWFRSA-N 1 2 555.476 5.546 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(C[NH+]2CCC2)c1 ZINC000095584946 562773452 /nfs/dbraw/zinc/77/34/52/562773452.db2.gz SRCBNMNRTFOZDE-UHFFFAOYSA-N 1 2 571.606 5.894 1 30 KKEFLO O=C(C[C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000095586590 562774041 /nfs/dbraw/zinc/77/40/41/562774041.db2.gz AILPIHZZISVMTB-QEGZUFBXSA-N 1 2 579.647 5.565 1 30 KKEFLO O=C(C[C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000095586590 562774042 /nfs/dbraw/zinc/77/40/42/562774042.db2.gz AILPIHZZISVMTB-QEGZUFBXSA-N 1 2 579.647 5.565 1 30 KKEFLO C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c42)[C@@]1(C)[C@H](C5)CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c5cccc[nH+]5)CC4)[C@@H](O)CC[C@@]21C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095611968 562785213 /nfs/dbraw/zinc/78/52/13/562785213.db2.gz WEKRCGPVRZAJPE-ICCILUMWSA-N 1 2 785.042 7.896 1 30 KKEFLO CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(NC3=[NH+]CCS3)cc2n1Cc1ccccn1 ZINC000096172180 562791262 /nfs/dbraw/zinc/79/12/62/562791262.db2.gz PVHHKUVUECYJCH-UHFFFAOYSA-N 1 2 519.621 5.740 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000096269750 562793023 /nfs/dbraw/zinc/79/30/23/562793023.db2.gz FXQROPSWMDCKSN-GMTJZYHLSA-N 1 2 654.079 5.367 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000096269750 562793024 /nfs/dbraw/zinc/79/30/24/562793024.db2.gz FXQROPSWMDCKSN-GMTJZYHLSA-N 1 2 654.079 5.367 1 30 KKEFLO O=C(/C=C/c1ccco1)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000101917152 562812376 /nfs/dbraw/zinc/81/23/76/562812376.db2.gz JQNXZFIKTUFGPY-UEXCGBIESA-N 1 2 606.480 6.301 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1cc(NC2CC[NH+](Cc3ccc(S(C)(=O)=O)cc3)CC2)nc(Nc2ccc(C#N)cc2)n1 ZINC000103252382 562820425 /nfs/dbraw/zinc/82/04/25/562820425.db2.gz TXIYDGNHIMKXBX-UHFFFAOYSA-N 1 2 607.740 5.853 1 30 KKEFLO O=C1C(=O)N(CCCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccc(Cl)cc21 ZINC000103265159 562822093 /nfs/dbraw/zinc/82/20/93/562822093.db2.gz NGIUVWHMNFUVKW-XJECJHNESA-N 1 2 614.493 6.168 1 30 KKEFLO CC(=O)O[C@H]1CC[C@H]2[C@@H]3/C(=N/OCCCn4cc[nH+]c4)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000138064260 562831695 /nfs/dbraw/zinc/83/16/95/562831695.db2.gz BTUGCJZVAUSMFD-LBIWSCJTSA-N 1 2 511.663 5.082 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(NC5CC5)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000143962282 562835510 /nfs/dbraw/zinc/83/55/10/562835510.db2.gz IZPYRHJDUKTQPR-UHFFFAOYSA-N 1 2 516.527 5.524 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000169291446 562851921 /nfs/dbraw/zinc/85/19/21/562851921.db2.gz UYJXMQDQMVVXSA-LFGICVIVSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000169291446 562851922 /nfs/dbraw/zinc/85/19/22/562851922.db2.gz UYJXMQDQMVVXSA-LFGICVIVSA-N 1 2 674.890 7.999 1 30 KKEFLO C[NH2+]CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)OC)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000169350660 562862890 /nfs/dbraw/zinc/86/28/90/562862890.db2.gz GRFISUHGNXTIQQ-AWTOMRQRSA-N 1 2 555.800 6.271 1 30 KKEFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCOCC4)cc3n2CC(F)F)c1Cl ZINC000169700947 562867855 /nfs/dbraw/zinc/86/78/55/562867855.db2.gz WRYGPWNEFWFYBP-UHFFFAOYSA-N 1 2 715.498 6.778 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701054 562867965 /nfs/dbraw/zinc/86/79/65/562867965.db2.gz KUJBZPADEXRAIK-UHFFFAOYSA-N 1 2 763.542 8.918 1 30 KKEFLO O=C(NCC(F)(F)F)Nc1cc(-c2c[nH+]c3cc(-c4ccnc(C(F)(F)F)n4)ccn32)cc(C(F)(F)F)c1 ZINC000169704742 562869118 /nfs/dbraw/zinc/86/91/18/562869118.db2.gz FGXQLECJGRJKMH-UHFFFAOYSA-N 1 2 548.369 6.180 1 30 KKEFLO Nc1sc(C#Cc2ccccc2)c(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299825880 562883672 /nfs/dbraw/zinc/88/36/72/562883672.db2.gz LJOWIAWJDNKEIE-UHFFFAOYSA-N 1 2 580.968 7.244 1 30 KKEFLO C#CCN1c2ccccc2[C@@]2(C1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCC[N@@H+]12 ZINC000299827198 562884054 /nfs/dbraw/zinc/88/40/54/562884054.db2.gz NQUAGYJEMJBPCZ-XQTVUDHFSA-N 1 2 652.758 6.850 1 30 KKEFLO C#CCN1c2ccccc2[C@@]2(C1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCC[N@H+]12 ZINC000299827198 562884055 /nfs/dbraw/zinc/88/40/55/562884055.db2.gz NQUAGYJEMJBPCZ-XQTVUDHFSA-N 1 2 652.758 6.850 1 30 KKEFLO CC(=O)N1CC[N@@H+]([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1=O ZINC000299853185 562891107 /nfs/dbraw/zinc/89/11/07/562891107.db2.gz GWLYARJRVIELKT-VLGQDORFSA-N 1 2 630.605 6.181 1 30 KKEFLO CC(=O)N1CC[N@H+]([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1=O ZINC000299853185 562891108 /nfs/dbraw/zinc/89/11/08/562891108.db2.gz GWLYARJRVIELKT-VLGQDORFSA-N 1 2 630.605 6.181 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[NH+](C4CCCCC4)C4CCCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691224 562906740 /nfs/dbraw/zinc/90/67/40/562906740.db2.gz JUYHMCYSYOGUDB-UHFFFAOYSA-N 1 2 644.788 7.703 1 30 KKEFLO CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#Cc3ccc(NC(=O)c4ccc(F)cc4)cn3)ccc2[nH+]c1N ZINC000653834966 562914662 /nfs/dbraw/zinc/91/46/62/562914662.db2.gz LXBIVXKQYPZTSX-UHFFFAOYSA-N 1 2 613.737 7.155 1 30 KKEFLO CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](Cc4ccc[nH]4)c4cc[nH+]c(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631867 565165341 /nfs/dbraw/zinc/16/53/41/565165341.db2.gz MFMXAAXVCQSZOV-XFYFSFOGSA-N 1 2 612.791 5.241 1 30 biogenic,in-vitro KKEFLO CCOC(=O)c1ccc(NC(=CC=[NH+]c2ccc(C(=O)OCC)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005596465 561697400 /nfs/dbraw/zinc/69/74/00/561697400.db2.gz WOWASHPJIFRUQN-QISYQWPXSA-N 1 2 500.639 6.955 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2c3ccccc3CCN(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000013589515 561721395 /nfs/dbraw/zinc/72/13/95/561721395.db2.gz ONWQFUUORXWXJQ-HHHXNRCGSA-N 1 2 516.432 5.530 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3ccc(-c4csc(C[NH+]5CCOCC5)c4)cc32)c(Cl)cc1Cl ZINC000014945331 561743031 /nfs/dbraw/zinc/74/30/31/561743031.db2.gz YKQDEDZRMPPAHF-UHFFFAOYSA-N 1 2 525.461 6.726 1 30 KKEFLO CC(=O)O[C@@H](c1c[nH+]cn1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccc(C#N)cc1 ZINC000014955796 561747467 /nfs/dbraw/zinc/74/74/67/561747467.db2.gz AEABDQQUYLQDMM-SSEXGKCCSA-N 1 2 522.992 5.628 1 30 KKEFLO N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981859 561764026 /nfs/dbraw/zinc/76/40/26/561764026.db2.gz DZWRYJPRGCJOAS-VWLOTQADSA-N 1 2 532.069 5.147 1 30 KKEFLO N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981859 561764028 /nfs/dbraw/zinc/76/40/28/561764028.db2.gz DZWRYJPRGCJOAS-VWLOTQADSA-N 1 2 532.069 5.147 1 30 KKEFLO CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)NCC[NH+]4CCOCC4)CC[C@]3(C)CC[C@]21C ZINC000026971404 561830473 /nfs/dbraw/zinc/83/04/73/561830473.db2.gz XFRTZQVQSDWZBI-TYFYSKIBSA-N 1 2 582.870 5.776 1 30 KKEFLO C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2C[NH3+])[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027426070 561858427 /nfs/dbraw/zinc/85/84/27/561858427.db2.gz RZHUUXCHZATEMA-BGUDKVOASA-N 1 2 547.475 5.118 1 30 KKEFLO C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2C[NH+]2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027429938 561859031 /nfs/dbraw/zinc/85/90/31/561859031.db2.gz BUZFNMDWWXZBPX-VFRFXQOFSA-N 1 2 587.540 5.865 1 30 KKEFLO Clc1ccc(/C(Cn2cc[nH+]c2)=N/O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553404 561868574 /nfs/dbraw/zinc/86/85/74/561868574.db2.gz MCLUDIMDSXHBFH-PJZBTWFMSA-N 1 2 509.224 6.556 1 30 KKEFLO Clc1ccc(/C(Cn2ccnc2)=N/O[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000027553404 561868575 /nfs/dbraw/zinc/86/85/75/561868575.db2.gz MCLUDIMDSXHBFH-PJZBTWFMSA-N 1 2 509.224 6.556 1 30 KKEFLO CCOC(=O)CCCCO/N=C(\c1ccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872523 561888412 /nfs/dbraw/zinc/88/84/12/561888412.db2.gz HQHPTNLIXCXDMV-DPWLMQNNSA-N 1 2 722.315 7.658 1 30 KKEFLO CCOC(=O)CCCCO/N=C(\c1ccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872523 561888415 /nfs/dbraw/zinc/88/84/15/561888415.db2.gz HQHPTNLIXCXDMV-DPWLMQNNSA-N 1 2 722.315 7.658 1 30 KKEFLO COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2c[nH+]cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)NO)cc1 ZINC000028238277 561910143 /nfs/dbraw/zinc/91/01/43/561910143.db2.gz POAGMLUILSMQAH-PSXMRANNSA-N 1 2 716.816 5.768 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CC[C@@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028348052 561915117 /nfs/dbraw/zinc/91/51/17/561915117.db2.gz CLEXPFRKZBZIKK-LXFBAYGMSA-N 1 2 558.564 5.121 1 30 KKEFLO Cc1ccccc1-c1cc([C@H](OCc2ccc(I)cc2)c2c[nH+]cn2C)ccc1C#N ZINC000028348998 561915314 /nfs/dbraw/zinc/91/53/14/561915314.db2.gz OGNVFCQJIFXILQ-SANMLTNESA-N 1 2 519.386 6.178 1 30 KKEFLO Cc1ccccc1-c1cc([C@H](OCc2csc(-c3ccc(Cl)cc3)n2)c2c[nH+]cn2C)ccc1C#N ZINC000028358484 561916443 /nfs/dbraw/zinc/91/64/43/561916443.db2.gz AFACWXACSVYBRJ-NDEPHWFRSA-N 1 2 511.050 7.350 1 30 KKEFLO N#Cc1cnc2cnc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000028529817 561934343 /nfs/dbraw/zinc/93/43/43/561934343.db2.gz BOMGEFCTGNMKPY-VWLOTQADSA-N 1 2 502.981 5.523 1 30 KKEFLO COc1cccc(NC2=C3C(=O)c4ccccc4[C@H]4O[NH+]=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@H]34)c1 ZINC000028640436 561942883 /nfs/dbraw/zinc/94/28/83/561942883.db2.gz YGHHTXYMKKFYGD-BZKUTMRRSA-N 1 2 583.088 5.679 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1nc(N2CCC(O)CC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000029338094 562014595 /nfs/dbraw/zinc/01/45/95/562014595.db2.gz GIJSSZXEWXNRRC-GDLZYMKVSA-N 1 2 539.039 5.146 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000029341198 562015261 /nfs/dbraw/zinc/01/52/61/562015261.db2.gz CTLODRUWNFPOBN-HKBQPEDESA-N 1 2 624.145 6.242 1 30 KKEFLO CC(C)(C)OC(=O)N1CCC(CN(c2[nH]c3cc(Cl)c(Cl)cc3[nH+]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351733 562059165 /nfs/dbraw/zinc/05/91/65/562059165.db2.gz RNTDLVRHEPCKPP-JOUUIMRQSA-N 1 2 594.587 7.705 1 30 KKEFLO COc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000042804444 562088670 /nfs/dbraw/zinc/08/86/70/562088670.db2.gz VQRVHKAHDJBKTH-XIHBTWGSSA-N 1 2 585.704 5.564 1 30 KKEFLO COc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)Nc3ccccc32)cc1 ZINC000042804444 562088671 /nfs/dbraw/zinc/08/86/71/562088671.db2.gz VQRVHKAHDJBKTH-XIHBTWGSSA-N 1 2 585.704 5.564 1 30 KKEFLO CCCCCC=CC(=O)[C@H](Cc1ccc(O)c(OC)c1)c1cc2cc(O)ccc2c(-c2ccc(N)[nH+]c2)c1 ZINC000085630002 560068322 /nfs/dbraw/zinc/06/83/22/560068322.db2.gz XPYHIQPZICJLKL-UWSNOUECSA-N 1 2 510.634 6.936 1 30 biogenic,in-vitro KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043153586 562646491 /nfs/dbraw/zinc/64/64/91/562646491.db2.gz VGCQRSCCCHQFKI-MFMCTBQISA-N 1 2 517.824 7.726 1 30 KKEFLO CN(C)C(=O)n1cc(/C(=N/OC(=O)C[NH+](C)C)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000043834819 562650969 /nfs/dbraw/zinc/65/09/69/562650969.db2.gz IQLHVFJZLBWBER-ZWWQSBRASA-N 1 2 610.715 5.825 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(N(C)C)cc2)[NH2+]1 ZINC000044018237 562651492 /nfs/dbraw/zinc/65/14/92/562651492.db2.gz FBTFEAOJEWTTAS-MFMCTBQISA-N 1 2 503.841 7.834 1 30 KKEFLO CCCCCCCNc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)c[nH+]1 ZINC000044138186 562652435 /nfs/dbraw/zinc/65/24/35/562652435.db2.gz VTHQGNPMGQTTFK-LJAQVGFWSA-N 1 2 521.612 5.967 1 30 KKEFLO CCCCCCCCCCCCCCCCCCOC[C@@H](CC[P@@](=O)([O-])OCC[N+](C)(C)C)n1cc[nH+]c1 ZINC000044201886 562652572 /nfs/dbraw/zinc/65/25/72/562652572.db2.gz STMPPOWNPIJCBP-SSEXGKCCSA-O 1 2 558.809 8.001 1 30 KKEFLO CCOP(=O)(CC[NH+]1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000045498321 562662763 /nfs/dbraw/zinc/66/27/63/562662763.db2.gz CLGJCYSNNZDFBG-FQHZWJPGSA-N 1 2 525.630 5.436 1 30 KKEFLO CCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049766860 562677279 /nfs/dbraw/zinc/67/72/79/562677279.db2.gz GMIQYTGXYWHVED-URLMMPGGSA-N 1 2 531.807 7.205 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccccc2-c2cccs2)C(=O)[C@]2(C1)[C@H](c1ccccc1-c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771957 562678521 /nfs/dbraw/zinc/67/85/21/562678521.db2.gz DOFMFADTQPGXDI-GDUVYRNQSA-N 1 2 716.910 7.956 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccccc2-c2cccs2)C(=O)[C@]2(C1)[C@H](c1ccccc1-c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771957 562678522 /nfs/dbraw/zinc/67/85/22/562678522.db2.gz DOFMFADTQPGXDI-GDUVYRNQSA-N 1 2 716.910 7.956 1 30 KKEFLO C=CC(C)(C)[C@@]12CC[N@@H+](C)[C@@H]1N(Cc1cc(Br)c3c(c1O)[C@]1(C/C=C(\C)CCC=C(C)C)CCN(C)[C@@H]1N3)c1cc(Br)ccc12 ZINC000049780490 562681811 /nfs/dbraw/zinc/68/18/11/562681811.db2.gz DNDQVXIUZMCVPG-MXGFLTEXSA-N 1 2 738.653 9.457 1 30 KKEFLO C=CC(C)(C)[C@@]12CC[N@H+](C)[C@@H]1N(Cc1cc(Br)c3c(c1O)[C@]1(C/C=C(\C)CCC=C(C)C)CCN(C)[C@@H]1N3)c1cc(Br)ccc12 ZINC000049780490 562681812 /nfs/dbraw/zinc/68/18/12/562681812.db2.gz DNDQVXIUZMCVPG-MXGFLTEXSA-N 1 2 738.653 9.457 1 30 KKEFLO COc1cc(Cc2cnc(/N=C3/c4cc(Cl)ccc4N(C[NH+](Cc4ccccc4)Cc4ccccc4)C3=O)nc2N)cc(OC)c1OC ZINC000049793308 562684716 /nfs/dbraw/zinc/68/47/16/562684716.db2.gz NNXVXPDHXUMGRF-AZOIZXLMSA-N 1 2 663.178 6.456 1 30 KKEFLO CCOP(=O)(CCCC[NH+]1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000049877508 562690163 /nfs/dbraw/zinc/69/01/63/562690163.db2.gz GPAMLFSQDLETMG-GPAWKIAZSA-N 1 2 553.684 6.217 1 30 KKEFLO CCCCCCCCCCCCNC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064548719 562707872 /nfs/dbraw/zinc/70/78/72/562707872.db2.gz PDTWCFUWFIJDAV-QFIPXVFZSA-N 1 2 528.713 5.497 1 30 KKEFLO Cc1cc(C#N)cc2nc(-c3ccc(N4CC[C@@H]([NH+]5CCN(c6ccc(C(F)(F)F)cc6)CC5)C4=O)cc3)oc21 ZINC000066073712 562709556 /nfs/dbraw/zinc/70/95/56/562709556.db2.gz SQSOSUJLVMXEKH-AREMUKBSSA-N 1 2 545.565 5.621 1 30 KKEFLO CC(C)Oc1ccccc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000066136488 562713170 /nfs/dbraw/zinc/71/31/70/562713170.db2.gz ZJYFYQJALSAKMF-UHFFFAOYSA-N 1 2 613.762 7.985 1 30 KKEFLO CC(C)(C)OC(=O)N[C@H](C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21)C(C)(C)C ZINC000072107387 562721216 /nfs/dbraw/zinc/72/12/16/562721216.db2.gz HLNCNWNWSSHOOA-NFKWSWOTSA-N 1 2 699.650 6.934 1 30 KKEFLO CCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107279 562721223 /nfs/dbraw/zinc/72/12/23/562721223.db2.gz NJAOKUKZBFTDSJ-GDLZYMKVSA-N 1 2 532.482 7.721 1 30 KKEFLO CCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072108829 562721492 /nfs/dbraw/zinc/72/14/92/562721492.db2.gz OHRBZMKUCLAJRR-QVAGMWBUSA-N 1 2 531.454 7.210 1 30 KKEFLO CCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109289 562721560 /nfs/dbraw/zinc/72/15/60/562721560.db2.gz ZKYHZYOUYWOTAA-PJJLUWSFSA-N 1 2 556.464 5.795 1 30 KKEFLO CCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109762 562721692 /nfs/dbraw/zinc/72/16/92/562721692.db2.gz BATSONTZUJMPAB-NDEPHWFRSA-N 1 2 518.455 7.331 1 30 KKEFLO O=C(Cc1cc(F)cc(F)c1)N[C@@H](CS)C(=O)Nc1ccc(-c2cn3c(n2)sc2c3CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000082154086 562740279 /nfs/dbraw/zinc/74/02/79/562740279.db2.gz NBIVZNXQDICYHK-MHZLTWQESA-N 1 2 617.747 5.495 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)C[NH+]3CCCCC3)n2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000084730695 562751674 /nfs/dbraw/zinc/75/16/74/562751674.db2.gz RPMGDNPXUCXFBB-TUXNCLIPSA-N 1 2 631.905 5.707 1 30 KKEFLO CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000095536931 562754293 /nfs/dbraw/zinc/75/42/93/562754293.db2.gz IFEBRKNPVNWNCI-DDVSCISZSA-N 1 2 751.657 7.270 1 30 KKEFLO Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)[nH+]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095557778 562762229 /nfs/dbraw/zinc/76/22/29/562762229.db2.gz LWENKLDZCHEYBQ-UHFFFAOYSA-N 1 2 660.656 6.256 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000095562359 562763675 /nfs/dbraw/zinc/76/36/75/562763675.db2.gz JPFZLPCINWHUKQ-YYFXGUOYSA-N 1 2 646.836 7.219 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000095562359 562763676 /nfs/dbraw/zinc/76/36/76/562763676.db2.gz JPFZLPCINWHUKQ-YYFXGUOYSA-N 1 2 646.836 7.219 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(F)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095573824 562769800 /nfs/dbraw/zinc/76/98/00/562769800.db2.gz LZECMGFZAYLLQF-MHZLTWQESA-N 1 2 559.439 6.007 1 30 KKEFLO C[C@@H](NC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O)c1ccccc1 ZINC000095575196 562770227 /nfs/dbraw/zinc/77/02/27/562770227.db2.gz VNRNRYHDZHHYIZ-KPURRNSFSA-N 1 2 569.503 6.107 1 30 KKEFLO O=C1/C(=C/c2ccc(OCCCCn3cc[nH+]c3)cc2)CC/C1=C\c1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000095598232 562777366 /nfs/dbraw/zinc/77/73/66/562777366.db2.gz LZCXLSPTXFIQCF-HCTXVGCHSA-N 1 2 536.676 6.628 1 30 KKEFLO O=C1/C(=C/c2ccc(OCCCCn3ccnc3)cc2)CC/C1=C\c1ccc(OCCCCn2cc[nH+]c2)cc1 ZINC000095598232 562777367 /nfs/dbraw/zinc/77/73/67/562777367.db2.gz LZCXLSPTXFIQCF-HCTXVGCHSA-N 1 2 536.676 6.628 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@@H]2C)CC[N@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCCCc2cccnc2)c2cccnc2)c1)C3 ZINC000095612213 562785330 /nfs/dbraw/zinc/78/53/30/562785330.db2.gz IYXZHKJXXANYCY-XXOZPOHBSA-N 1 2 813.428 8.666 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@@H]2C)CC[N@@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCCCc2cccnc2)c2cccnc2)c1)C3 ZINC000095612213 562785331 /nfs/dbraw/zinc/78/53/31/562785331.db2.gz IYXZHKJXXANYCY-XXOZPOHBSA-N 1 2 813.428 8.666 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@@H+](C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272736 562794167 /nfs/dbraw/zinc/79/41/67/562794167.db2.gz NVXDHORIAUGGJT-IWMWNFPRSA-N 1 2 570.758 6.605 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@H+](C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@]21c2cccc3cccc(c23)C1=O ZINC000096272736 562794168 /nfs/dbraw/zinc/79/41/68/562794168.db2.gz NVXDHORIAUGGJT-IWMWNFPRSA-N 1 2 570.758 6.605 1 30 KKEFLO CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000096906731 562798829 /nfs/dbraw/zinc/79/88/29/562798829.db2.gz OLBBOELLFMGABP-VAJHJPNGSA-N 1 2 821.776 8.948 1 30 KKEFLO C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926982 562802498 /nfs/dbraw/zinc/80/24/98/562802498.db2.gz MYRICNIFBATRIX-KEAHXZLPSA-N 1 2 642.800 5.623 1 30 KKEFLO C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926982 562802499 /nfs/dbraw/zinc/80/24/99/562802499.db2.gz MYRICNIFBATRIX-KEAHXZLPSA-N 1 2 642.800 5.623 1 30 KKEFLO O=C1C(=O)N(CCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccc(Cl)cc21 ZINC000103265156 562822090 /nfs/dbraw/zinc/82/20/90/562822090.db2.gz DJBPTPATKVLLAW-AABVJFSESA-N 1 2 600.466 5.778 1 30 KKEFLO O=C1C(=O)N(CCCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccccc21 ZINC000103265220 562822124 /nfs/dbraw/zinc/82/21/24/562822124.db2.gz ZCISIVANXGKGII-FABQOPTDSA-N 1 2 580.048 5.514 1 30 KKEFLO O=C1C(=O)N(CCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccc(Cl)cc21 ZINC000103265151 562822129 /nfs/dbraw/zinc/82/21/29/562822129.db2.gz CGVJQWKKJHJTHA-ROPCREHHSA-N 1 2 586.439 5.388 1 30 KKEFLO Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH+]c2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118092508 562830118 /nfs/dbraw/zinc/83/01/18/562830118.db2.gz BHMKBLCQWCTDIQ-UHFFFAOYSA-N 1 2 603.582 8.653 1 30 KKEFLO Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2OCC(F)(F)F)c[nH+]1 ZINC000147240170 562839215 /nfs/dbraw/zinc/83/92/15/562839215.db2.gz CXFTXUPYIHPUAT-QFIPXVFZSA-N 1 2 582.480 5.602 1 30 KKEFLO C[N+](C)(CCC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[N-]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538856 562844088 /nfs/dbraw/zinc/84/40/88/562844088.db2.gz JNNZEWHSNMIBEU-UHFFFAOYSA-P 1 2 938.527 8.020 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310090 562854627 /nfs/dbraw/zinc/85/46/27/562854627.db2.gz FJFDUSDJEZLOET-NDEPHWFRSA-N 1 2 578.673 5.052 1 30 KKEFLO Cc1cn(-c2c(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)c[nH+]1 ZINC000169327768 562858170 /nfs/dbraw/zinc/85/81/70/562858170.db2.gz KYHGDWNOCOUJAQ-UHFFFAOYSA-N 1 2 507.601 6.525 1 30 KKEFLO Cc1cn(-c2c(-c3cc(-c4ccc5c(c4)OC(C)(C)O5)nc(N)c3C#N)c(C)nn2-c2ccccc2)c[nH+]1 ZINC000169328954 562858440 /nfs/dbraw/zinc/85/84/40/562858440.db2.gz USSDXIRBSDNRQC-UHFFFAOYSA-N 1 2 503.566 5.365 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCC(F)(F)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700922 562867780 /nfs/dbraw/zinc/86/77/80/562867780.db2.gz RXWLSTXTVDXMAP-UHFFFAOYSA-N 1 2 731.516 7.992 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701077 562867945 /nfs/dbraw/zinc/86/79/45/562867945.db2.gz VCSGUZYSWNBESY-UHFFFAOYSA-N 1 2 749.506 8.289 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701049 562867961 /nfs/dbraw/zinc/86/79/61/562867961.db2.gz ZEYXQQBVHURBIB-UHFFFAOYSA-N 1 2 781.988 9.652 1 30 KKEFLO COc1ccccc1[C@@H]1N[C@H](c2ccccc2OC)C2C(=NO)C1[C@H](c1ccccc1OC)[NH2+][C@@H]2c1ccccc1OC ZINC000195320788 562871671 /nfs/dbraw/zinc/87/16/71/562871671.db2.gz ZIMXQKHKULOUQQ-LLSWJAHXSA-N 1 2 579.697 6.255 1 30 KKEFLO CC[C@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc21 ZINC000299831595 562885638 /nfs/dbraw/zinc/88/56/38/562885638.db2.gz FBXKBOHRDCVIOB-PKHCJMHPSA-N 1 2 604.747 8.006 1 30 KKEFLO COc1ccc(-c2cc3cc([C@H]4c5c(N)c6c([nH+]c5OC5=C4C(=O)CC(C)(C)C5)CCCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299835129 562886671 /nfs/dbraw/zinc/88/66/71/562886671.db2.gz KMWJDGVMILSJER-WJOKGBTCSA-N 1 2 620.746 7.624 1 30 KKEFLO CCCCCCCCCCOC(=O)CCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000299858554 562892502 /nfs/dbraw/zinc/89/25/02/562892502.db2.gz DSTAITGBSDYKQI-UHFFFAOYSA-N 1 2 728.360 7.329 1 30 KKEFLO CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)C[N@H+](Cc3ccccc3)C1)[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000299865615 562894488 /nfs/dbraw/zinc/89/44/88/562894488.db2.gz NYZJWCNLQGNIQE-AREMUKBSSA-N 1 2 565.655 5.708 1 30 KKEFLO CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)C[N@@H+](Cc3ccccc3)C1)[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000299865615 562894489 /nfs/dbraw/zinc/89/44/89/562894489.db2.gz NYZJWCNLQGNIQE-AREMUKBSSA-N 1 2 565.655 5.708 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@H+](Cc2ccc(Oc3ccccc3)cc2)C2CCCCC2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299866075 562894576 /nfs/dbraw/zinc/89/45/76/562894576.db2.gz OIOQHEAYVZVGNX-QJYSRLGJSA-N 1 2 641.893 8.520 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)C[N@@H+](Cc2ccc(Oc3ccccc3)cc2)C2CCCCC2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000299866075 562894577 /nfs/dbraw/zinc/89/45/77/562894577.db2.gz OIOQHEAYVZVGNX-QJYSRLGJSA-N 1 2 641.893 8.520 1 30 KKEFLO CC1C(=O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)N4CC[NH+](CCO)CC4)CC[C@]3(C)CC[C@]12C ZINC000299868260 562895064 /nfs/dbraw/zinc/89/50/64/562895064.db2.gz ZLYUXSCHNFVBQF-GTKRWHGSSA-N 1 2 562.795 5.750 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[NH+]4CCC(C)CC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691219 562906772 /nfs/dbraw/zinc/90/67/72/562906772.db2.gz ISKNCFCJWNFKOI-UHFFFAOYSA-N 1 2 562.642 5.468 1 30 KKEFLO CCCCCCCC(=O)CC(=O)C=C(CO)c1cc(OCO)c(O)cc1Cc1c[nH+]c(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630452 565163128 /nfs/dbraw/zinc/16/31/28/565163128.db2.gz HRRFAFCMUNIBDE-HPNXWYHWSA-N 1 2 678.870 7.124 1 30 biogenic,in-vitro KKEFLO CCC1C=C2C(=N1)N1CC[NH2+][C@@H](C#C[C@@H](c3c(=O)c(OC)c(O)c4c(O)cc(-c5ccc(O)cc5)oc3-4)Cc3cccc2c3)C1 ZINC000103533123 565194592 /nfs/dbraw/zinc/19/45/92/565194592.db2.gz CYXLRILJBYUOKP-NOZRDPDXSA-N 1 2 602.667 5.050 1 30 biogenic,in-vitro KKEFLO C[C@@H]1C#Cc2cc(N)[nH+]cc2CO[C@H](C[C@H](O)[C@@H]2CCc3c(ccc(O)c3OC3CCCCC3)C2)CCC1 ZINC000085628521 291983440 /nfs/dbraw/zinc/98/34/40/291983440.db2.gz KNFIPWVGKFAFPD-VWBUHFTISA-N 1 2 518.698 5.694 1 30 biogenic,in-vitro KKEFLO COc1cc2cc3c(cc2cc1OCC[NH+]1CCOCC1)ncc(C#N)c3Nc1ccc(Cl)cc1Cl ZINC000013673255 561723912 /nfs/dbraw/zinc/72/39/12/561723912.db2.gz BJHWPTOYYFZNQR-UHFFFAOYSA-N 1 2 523.420 6.030 1 30 KKEFLO N#Cc1cccc(C(=O)N=C(Nc2ccc(Cl)cc2)N[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000014190609 561737439 /nfs/dbraw/zinc/73/74/39/561737439.db2.gz YYTUVUFQDHTNFQ-XMMPIXPASA-N 1 2 537.838 6.354 1 30 KKEFLO N#Cc1ccc(C(=O)[C@@H](Nc2ccc(Cl)cc2)N[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000025980414 561763819 /nfs/dbraw/zinc/76/38/19/561763819.db2.gz DJTIBRWKPJKQCE-AHWVRZQESA-N 1 2 524.839 6.367 1 30 KKEFLO Cc1c[nH+]cc(C)c1C[C@H](c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(OCF)c(OC2CCC2)c1 ZINC000026249145 561773778 /nfs/dbraw/zinc/77/37/78/561773778.db2.gz SHTXAVNQIHCYSE-XMMPIXPASA-N 1 2 571.533 7.622 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027319363 561852367 /nfs/dbraw/zinc/85/23/67/561852367.db2.gz PTNBPPZVBINDKZ-VWLOTQADSA-N 1 2 598.379 5.496 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353378 561915969 /nfs/dbraw/zinc/91/59/69/561915969.db2.gz UHRAFDSLBQHPNH-VWLOTQADSA-N 1 2 516.350 7.591 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)n(C)c1=O)c1ccc(C#N)cc1 ZINC000028376276 561919199 /nfs/dbraw/zinc/91/91/99/561919199.db2.gz VWNGPDZHHGXWPW-RUZDIDTESA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)cc(Cl)c2)cc(C#N)n(C)c1=O)c1ccc(C#N)cc1 ZINC000028376269 561919234 /nfs/dbraw/zinc/91/92/34/561919234.db2.gz VWNGPDZHHGXWPW-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO CO/N=C(\C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)c1ccc(OCC[NH+]2CCOCC2)c2ccccc12 ZINC000029126138 561998446 /nfs/dbraw/zinc/99/84/46/561998446.db2.gz TVTBCDYUOFGZMO-WWIWEHRJSA-N 1 2 569.706 5.332 1 30 KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000029232659 562009370 /nfs/dbraw/zinc/00/93/70/562009370.db2.gz BCDJYKASWXNDNH-CEYGFPBPSA-N 1 2 589.784 7.945 1 30 KKEFLO CN1Cc2c[nH+]cn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)NC(=O)[C@H]1Cc1ccccc1 ZINC000029484232 562027981 /nfs/dbraw/zinc/02/79/81/562027981.db2.gz BYAJXJYFHAJINJ-SSEXGKCCSA-N 1 2 513.601 5.744 1 30 KKEFLO CC(C)(C)CC(C)(C)[NH+]=C1Nc2cc(Cl)c(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383095 562060015 /nfs/dbraw/zinc/06/00/15/562060015.db2.gz ATDUQLKEEDQTGC-HANSOEIWSA-N 1 2 505.534 6.994 1 30 KKEFLO Cn1c[nH+]c2c1cccc2NC(=NC#N)N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000040936560 562085218 /nfs/dbraw/zinc/08/52/18/562085218.db2.gz MCCCVNBJMOCZKM-XMMPIXPASA-N 1 2 513.005 5.067 1 30 KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc(CC)[nH]2)c1 ZINC000085631536 560067818 /nfs/dbraw/zinc/06/78/18/560067818.db2.gz BXBOVOAJINEMQH-JQJBXXCASA-N 1 2 576.758 5.859 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc(CC)[nH]2)c1 ZINC000085631536 560067820 /nfs/dbraw/zinc/06/78/20/560067820.db2.gz BXBOVOAJINEMQH-JQJBXXCASA-N 1 2 576.758 5.859 1 30 biogenic,in-vitro KKEFLO C[C@H]1C#Cc2cc(N)[nH+]cc2C2(CCCCC2)O[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CCC1 ZINC000085628555 560068600 /nfs/dbraw/zinc/06/86/00/560068600.db2.gz GIXFJYQFMVEMIJ-CZMKHNCBSA-N 1 2 560.779 7.181 1 30 biogenic,in-vitro KKEFLO Nc1cc2c(c[nH+]1)CO[C@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)CCC[C@H](CCc1ccc(O)cc1)C#C2 ZINC000085628518 560068627 /nfs/dbraw/zinc/06/86/27/560068627.db2.gz OQKCFRPFHHMKLR-RYAAIMSBSA-N 1 2 598.784 6.840 1 30 biogenic,in-vitro KKEFLO Cc1c[nH+]cc(C)c1C[C@@H](c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(OCF)c(OC(F)F)c1 ZINC000043242238 562647195 /nfs/dbraw/zinc/64/71/95/562647195.db2.gz IMHVRRDEBBVGII-FQEVSTJZSA-N 1 2 567.448 7.292 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1[NH2+][C@@H](c2cc(OC)c(OC)c(OC)c2)SC1(C)C ZINC000043470176 562648667 /nfs/dbraw/zinc/64/86/67/562648667.db2.gz BBKZYZQVZPXZIQ-XLJNKUFUSA-N 1 2 578.904 8.572 1 30 KKEFLO CCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000044086556 562652248 /nfs/dbraw/zinc/65/22/48/562652248.db2.gz LBAVWEQYTULVAB-LMSSTIIKSA-N 1 2 503.797 7.336 1 30 KKEFLO CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)C[N@H+](C)[C@@]21C(=O)Nc2ccccc21 ZINC000044405876 562656725 /nfs/dbraw/zinc/65/67/25/562656725.db2.gz XBOUVPFQOBBKNS-XNTUJWMESA-N 1 2 601.361 6.761 1 30 KKEFLO CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)C[N@@H+](C)[C@@]21C(=O)Nc2ccccc21 ZINC000044405876 562656726 /nfs/dbraw/zinc/65/67/26/562656726.db2.gz XBOUVPFQOBBKNS-XNTUJWMESA-N 1 2 601.361 6.761 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4cccc(C[NH+]5CCOCC5)n4)ccc32)c(Cl)cc1Cl ZINC000045258634 562659923 /nfs/dbraw/zinc/65/99/23/562659923.db2.gz FBLKKAZLVZSLLA-UHFFFAOYSA-N 1 2 520.420 6.060 1 30 KKEFLO CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NS(C)(=O)=O)cc2)[NH2+]1 ZINC000049766404 562677048 /nfs/dbraw/zinc/67/70/48/562677048.db2.gz KXHZFCQTMXYUMW-BDYUSTAISA-N 1 2 525.825 6.359 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771597 562678215 /nfs/dbraw/zinc/67/82/15/562678215.db2.gz BOUVXSJXIRQAGH-KMEUWFIYSA-N 1 2 621.546 5.806 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771597 562678216 /nfs/dbraw/zinc/67/82/16/562678216.db2.gz BOUVXSJXIRQAGH-KMEUWFIYSA-N 1 2 621.546 5.806 1 30 KKEFLO Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1[nH+]c2ccccc2n1-c1cc(NCCC#N)ncn1 ZINC000049777800 562680562 /nfs/dbraw/zinc/68/05/62/562680562.db2.gz YXYHBHJWEGGSMU-UHFFFAOYSA-N 1 2 556.552 6.464 1 30 KKEFLO C[C@@H](O[C@H]1CN2C(=O)C[C@@H]([NH2+]Cc3ccn[nH]3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780235 562681469 /nfs/dbraw/zinc/68/14/69/562681469.db2.gz FZWPLYNQCHPQID-ALSGZSMCSA-N 1 2 570.509 5.589 1 30 KKEFLO C=CCOc1ccc2ccccc2c1-c1c(OCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)OCc2ccccc2)ccc2ccccc21 ZINC000049780671 562682089 /nfs/dbraw/zinc/68/20/89/562682089.db2.gz BNLNVTVONUSMKD-WJOKGBTCSA-N 1 2 630.745 6.095 1 30 KKEFLO CCCCCCCCSc1nc(Cc2cn(CC(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)c[nH+]2)c[nH]1 ZINC000049820198 562686858 /nfs/dbraw/zinc/68/68/58/562686858.db2.gz FZLRRIXGBPKPET-HKBQPEDESA-N 1 2 645.826 6.011 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1cccc(Cl)c1 ZINC000053045115 562696113 /nfs/dbraw/zinc/69/61/13/562696113.db2.gz NGKWYAFKLLDUKM-UHFFFAOYSA-N 1 2 532.431 5.751 1 30 KKEFLO CC[N@H+](C)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053226573 562696508 /nfs/dbraw/zinc/69/65/08/562696508.db2.gz ROUOGAJBAYYYSR-UHFFFAOYSA-N 1 2 527.556 5.258 1 30 KKEFLO CC[N@@H+](C)CCC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053226573 562696509 /nfs/dbraw/zinc/69/65/09/562696509.db2.gz ROUOGAJBAYYYSR-UHFFFAOYSA-N 1 2 527.556 5.258 1 30 KKEFLO N#Cc1c(NC(=O)c2ccco2)nc(-c2ccc(F)cc2O)cc1-c1cccc(NC(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000053243797 562696872 /nfs/dbraw/zinc/69/68/72/562696872.db2.gz KJPTXMKHKFOSHC-FQEVSTJZSA-N 1 2 539.567 5.448 1 30 KKEFLO CC[NH+](CC)[C@@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294168 562697201 /nfs/dbraw/zinc/69/72/01/562697201.db2.gz ZFZOJMJOOSZWMT-IBGZPJMESA-N 1 2 555.610 6.036 1 30 KKEFLO CC[NH2+][C@H](CC)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294179 562697216 /nfs/dbraw/zinc/69/72/16/562697216.db2.gz LQGKAOHALGAYHK-HXUWFJFHSA-N 1 2 541.583 5.694 1 30 KKEFLO CC[NH2+][C@@H](CC)C(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294193 562697240 /nfs/dbraw/zinc/69/72/40/562697240.db2.gz AVCJOCSUKBWQLN-QHCPKHFHSA-N 1 2 527.556 5.304 1 30 KKEFLO FC(F)(F)Oc1ccc(Nc2cc(Nc3[nH+]ccn3-c3cccc(C(F)(F)F)c3)nc(C(F)(F)F)n2)cc1 ZINC000053294547 562697267 /nfs/dbraw/zinc/69/72/67/562697267.db2.gz UUWMFJOUNZIHLA-UHFFFAOYSA-N 1 2 548.369 7.086 1 30 KKEFLO CC[NH2+][C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053295619 562697315 /nfs/dbraw/zinc/69/73/15/562697315.db2.gz LRBNYCDMNJELGI-QGZVFWFLSA-N 1 2 527.556 5.304 1 30 KKEFLO CC(=O)N[C@@H]1CCN(c2nc(CO[C@@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)C1 ZINC000058648824 562701232 /nfs/dbraw/zinc/70/12/32/562701232.db2.gz BNHGUWSAFIQWGI-AYWVHJORSA-N 1 2 599.617 5.265 1 30 KKEFLO COc1cc(C(=O)/C=C/c2ccccn2)cc(C[NH+]2CCN(c3ccc(C(=O)/C=C/c4ccccn4)cc3)CC2)c1O ZINC000066066559 562709407 /nfs/dbraw/zinc/70/94/07/562709407.db2.gz YOXLETWJLITKMN-WFYKWJGLSA-N 1 2 560.654 5.305 1 30 KKEFLO CC(C)Oc1ccc(F)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000066073663 562709521 /nfs/dbraw/zinc/70/95/21/562709521.db2.gz NIAOMAGQEARZHM-UHFFFAOYSA-N 1 2 631.752 8.125 1 30 in-vivo KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]2c2ccccc2)cc1 ZINC000066123031 562712415 /nfs/dbraw/zinc/71/24/15/562712415.db2.gz KITKUQOXPMTFBP-AHGSHOPKSA-N 1 2 533.720 5.795 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]2c2ccccc2)cc1 ZINC000066123031 562712416 /nfs/dbraw/zinc/71/24/16/562712416.db2.gz KITKUQOXPMTFBP-AHGSHOPKSA-N 1 2 533.720 5.795 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@H]2c2ccccc2)cc1 ZINC000066123031 562712417 /nfs/dbraw/zinc/71/24/17/562712417.db2.gz KITKUQOXPMTFBP-AHGSHOPKSA-N 1 2 533.720 5.795 1 30 KKEFLO CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccc(-c6ccccc6C(C)C)c[nH+]5)CC4)cc3)oc21 ZINC000066136490 562713186 /nfs/dbraw/zinc/71/31/86/562713186.db2.gz QTWFJQZPRZYDRJ-UHFFFAOYSA-N 1 2 597.763 8.322 1 30 KKEFLO O=C1/C(=C/c2ccc(O)c(Br)c2)C[NH+](CCCc2ccccc2)C/C1=C\c1ccc(O)c(Br)c1 ZINC000072109913 562721686 /nfs/dbraw/zinc/72/16/86/562721686.db2.gz VOULIDYNIANYFR-MSKUYSOUSA-N 1 2 583.320 6.607 1 30 KKEFLO O=C(C(=Cc1cccc([N+](=O)[O-])c1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084652764 562746666 /nfs/dbraw/zinc/74/66/66/562746666.db2.gz ZPMGKNTUKPRQIB-NBERBOIYSA-N 1 2 583.431 8.199 1 30 KKEFLO C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084653785 562746943 /nfs/dbraw/zinc/74/69/43/562746943.db2.gz XWAVHHDOYVVHPD-ZYRAMJAGSA-N 1 2 548.812 6.992 1 30 KKEFLO O=C(C(=Cc1ccoc1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084725720 562751293 /nfs/dbraw/zinc/75/12/93/562751293.db2.gz SPSUZWMPGRPJSI-IMAMOKOHSA-N 1 2 528.395 7.883 1 30 KKEFLO C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)C[NH+]3CCCC3)n2)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000084732638 562751832 /nfs/dbraw/zinc/75/18/32/562751832.db2.gz DSZDXRXAZRLERZ-OLRHSRETSA-N 1 2 617.878 5.317 1 30 KKEFLO CON=C1C2[C@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@@H](c1ccccc1Br)[NH2+][C@H]2c1ccccc1Br ZINC000095544719 562757838 /nfs/dbraw/zinc/75/78/38/562757838.db2.gz ZTRAQXHWPSZDPD-IKTFRGFKSA-N 1 2 789.204 9.443 1 30 KKEFLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4[nH+]c4c(C(=O)Nc5ccc(S(=O)(=O)N=C(N)N)cc5)cccc34)cc2)n1 ZINC000095550475 562760228 /nfs/dbraw/zinc/76/02/28/562760228.db2.gz PESIWVWBLGVFQM-UHFFFAOYSA-N 1 2 730.232 5.207 1 30 KKEFLO C=CCCNc1nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc3ccccc3c2)nc(NCc2csc(-c3cccs3)n2)[nH+]1 ZINC000095557189 562762041 /nfs/dbraw/zinc/76/20/41/562762041.db2.gz MZFVSYXTBIQFNO-XMMPIXPASA-N 1 2 632.841 5.757 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3cccs3)n2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc3ccccc3c2)[nH+]1 ZINC000095557189 562762042 /nfs/dbraw/zinc/76/20/42/562762042.db2.gz MZFVSYXTBIQFNO-XMMPIXPASA-N 1 2 632.841 5.757 1 30 KKEFLO C=CCCNc1nc(NCc2csc(-c3cccs3)n2)[nH+]c(N2CCC[C@@H]2CNS(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000095557189 562762043 /nfs/dbraw/zinc/76/20/43/562762043.db2.gz MZFVSYXTBIQFNO-XMMPIXPASA-N 1 2 632.841 5.757 1 30 KKEFLO O=C(C1=C(NCc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095577627 562771024 /nfs/dbraw/zinc/77/10/24/562771024.db2.gz AOMKCWNJTKKWEM-MUUNZHRXSA-N 1 2 555.476 5.546 1 30 KKEFLO CCCCOC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095579610 562771604 /nfs/dbraw/zinc/77/16/04/562771604.db2.gz UMPLKFYNHBLQFR-DEOSSOPVSA-N 1 2 522.443 5.573 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccn(C2CC[NH2+]CC2)n1 ZINC000095581322 562772130 /nfs/dbraw/zinc/77/21/30/562772130.db2.gz YPFAHLMMHHOSHC-UHFFFAOYSA-N 1 2 541.058 5.049 1 30 KKEFLO CC(C)=CCC12OCC3C(C[NH+](C(C)C)C(C)C)C(C=C4C(=O)c5c(O)c6c(cc5OC431)OC(C)(C)C=C6)C2=O ZINC000095589088 562774843 /nfs/dbraw/zinc/77/48/43/562774843.db2.gz PCXGBHQVOBDBOY-VGVYAZIRSA-N 1 2 547.692 5.506 1 30 KKEFLO O=C(OCC[NH+]1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000095696553 562788581 /nfs/dbraw/zinc/78/85/81/562788581.db2.gz FLJXFBNHMJIRHA-UHFFFAOYSA-N 1 2 656.549 8.014 1 30 KKEFLO CCN(CC)c1ccc2cc(/C=C3\C[NH2+]C/C(=C\c4cc5ccc(N(CC)CC)cc5oc4=O)C3=O)c(=O)oc2c1 ZINC000098085722 562805882 /nfs/dbraw/zinc/80/58/82/562805882.db2.gz LPQOAZYYRWNENJ-RYQLWAFASA-N 1 2 553.659 5.231 1 30 KKEFLO COc1ccc(N(C(=O)CN2c3ccccc3C(C3CCCCC3)[N+](=O)[C@@H](NC(=O)Nc3ccccc3)C2=O)C(C)C)cc1 ZINC000100762798 562807688 /nfs/dbraw/zinc/80/76/88/562807688.db2.gz JLGUEGFMAWTKFX-JGCGQSQUSA-N 1 2 597.716 5.511 1 30 KKEFLO COc1ccc(N(C(=O)CN2c3ccccc3C(C3CCCCC3)[N+](=O)C(NC(=O)Nc3ccccc3)C2=O)C(C)C)cc1 ZINC000100762798 562807689 /nfs/dbraw/zinc/80/76/89/562807689.db2.gz JLGUEGFMAWTKFX-JGCGQSQUSA-N 1 2 597.716 5.511 1 30 KKEFLO CC[C@H](C)C1=CC(C=CC(=O)c2ccco2)=CC(=CNc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C1=O ZINC000102973500 562813803 /nfs/dbraw/zinc/81/38/03/562813803.db2.gz FCYLYOVRRUZQBV-BUVPOLEGSA-N 1 2 550.058 8.441 1 30 KKEFLO CC(C)(C)C1=CC(C=CC(=O)c2ccc(Cl)cc2)=CC(=CNc2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)C1=O ZINC000102973503 562813853 /nfs/dbraw/zinc/81/38/53/562813853.db2.gz PHDKAJCEQIKSMF-SMIZXTIDSA-N 1 2 594.542 9.502 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(N5CCCCC5)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000144011827 562835613 /nfs/dbraw/zinc/83/56/13/562835613.db2.gz BCUJRVQSIFNOKH-UHFFFAOYSA-N 1 2 544.581 5.940 1 30 KKEFLO COc1ccc(C[NH+]2CCN(c3nc(Nc4ccc(C#N)c(C(F)(F)F)c4)nc(Oc4ncnc5ccccc54)n3)CC2)c(OC)c1OC ZINC000150587563 562845935 /nfs/dbraw/zinc/84/59/35/562845935.db2.gz BVRYFDRUORSAPD-UHFFFAOYSA-N 1 2 673.656 5.589 1 30 KKEFLO COc1cc([C@H](C#CC(C)C)[N@@H+]2CC[C@@H](CC(=O)[O-])C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000169291213 562851883 /nfs/dbraw/zinc/85/18/83/562851883.db2.gz MFXXCQOJSTXKBJ-AEAGWUPHSA-N 1 2 553.625 6.837 1 30 KKEFLO COc1cc([C@H](C#CC(C)C)[N@H+]2CC[C@@H](CC(=O)[O-])C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1c[nH+]c(C)c1 ZINC000169291213 562851884 /nfs/dbraw/zinc/85/18/84/562851884.db2.gz MFXXCQOJSTXKBJ-AEAGWUPHSA-N 1 2 553.625 6.837 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169309763 562854477 /nfs/dbraw/zinc/85/44/77/562854477.db2.gz XLLASIUDZULXQN-MUUNZHRXSA-N 1 2 597.119 6.000 1 30 KKEFLO COc1cc(-c2cc(NC(=O)Nc3cc(OCC[NH+]4CCOCC4)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000169324015 562857293 /nfs/dbraw/zinc/85/72/93/562857293.db2.gz CCLYTAJMJIGULE-KEIPNQJHSA-N 1 2 578.666 5.241 1 30 KKEFLO N#CCCSC1=[NH+][C@@H](c2cc3cc(Cl)ccc3nc2Cl)C=C(c2cccc(Br)c2)N1 ZINC000169325568 562857607 /nfs/dbraw/zinc/85/76/07/562857607.db2.gz SROBMDCEORNGMR-HXUWFJFHSA-N 1 2 518.267 6.992 1 30 KKEFLO Cn1c2cc(N3CCC[C@@H](C(F)(F)F)C3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl ZINC000169701029 562867915 /nfs/dbraw/zinc/86/79/15/562867915.db2.gz TYGXHXLXIHUINX-MRXNPFEDSA-N 1 2 699.499 7.449 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3cccc(C(F)(F)F)n3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c1Cl ZINC000169701061 562867969 /nfs/dbraw/zinc/86/79/69/562867969.db2.gz BTLVQUYIPQFVCM-GDLZYMKVSA-N 1 2 800.510 7.998 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)n1 ZINC000299850183 562890595 /nfs/dbraw/zinc/89/05/95/562890595.db2.gz BBNIDTBTYHLFCB-UHFFFAOYSA-N 1 2 525.440 5.579 1 30 KKEFLO CCOC(=O)c1sc(N(Cc2cn(Cc3ccc(C#N)cc3)c[nH+]2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653696903 562907036 /nfs/dbraw/zinc/90/70/36/562907036.db2.gz YWCUUZWIODXZPK-UHFFFAOYSA-N 1 2 602.116 7.175 1 30 KKEFLO CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(C#N)cc2)Cc2c[nH+]cn2Cc2ccc(C#N)cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653796700 562913192 /nfs/dbraw/zinc/91/31/92/562913192.db2.gz VSZUAPYSZPDEHJ-UHFFFAOYSA-N 1 2 697.224 7.557 1 30 KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)[nH+]c(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593971 565150647 /nfs/dbraw/zinc/15/06/47/565150647.db2.gz LVPJBFHTMFBIFH-XWOMWQNVSA-N 1 2 638.721 5.185 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CC1(c2cc(N)[nH+]c(-c4ccnc(N)c4)c2)CCCC1)C3 ZINC000085594012 565150762 /nfs/dbraw/zinc/15/07/62/565150762.db2.gz FCSVOUPYRXFWDB-NCXXJVAISA-N 1 2 626.710 5.113 1 30 biogenic,in-vitro KKEFLO CCC[C@H]([C@H](O)CCO)[C@@H]1C[C@@H](Cc2cc[nH+]c(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000085631352 565163783 /nfs/dbraw/zinc/16/37/83/565163783.db2.gz HYHOJBWCGZKJAN-PVJJURBXSA-N 1 2 682.858 5.010 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc(CC)[nH]2)c1 ZINC000085631473 565164626 /nfs/dbraw/zinc/16/46/26/565164626.db2.gz GRXFVTPBBIOPJM-JUKUECOXSA-N 1 2 600.780 6.256 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc(CC)[nH]2)c1 ZINC000085631473 565164629 /nfs/dbraw/zinc/16/46/29/565164629.db2.gz GRXFVTPBBIOPJM-JUKUECOXSA-N 1 2 600.780 6.256 1 30 biogenic,in-vitro KKEFLO CCCC[C@@H]1C[C@@H](Cc2cc[nH+]c(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000085631422 565164641 /nfs/dbraw/zinc/16/46/41/565164641.db2.gz UWYHIUHSZHBVTB-UDBPYOBXSA-N 1 2 608.779 6.040 1 30 biogenic,in-vitro KKEFLO CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](c4cc[nH+]c(N)c4)C4(c5ccc[nH]5)CCCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631814 565165250 /nfs/dbraw/zinc/16/52/50/565165250.db2.gz CGJPOQBXPQJBOJ-CUJHXFJJSA-N 1 2 680.910 6.900 1 30 biogenic,in-vitro KKEFLO CC[C@]12C#CC[C@@H]([C@H](O)CCc3ccc(O)c(O[C@H]4[C@@H]([C@H](Cc5ccc[nH]5)c5cc[nH+]c(N)c5)CC[C@@H](O)[C@@H]4O)c3)[C@@H](O)[C@H](CCC1)CC2 ZINC000085631824 565165299 /nfs/dbraw/zinc/16/52/99/565165299.db2.gz CIPFIFQXEJVMCO-IWYQJCPRSA-N 1 2 670.871 5.043 1 30 biogenic,in-vitro KKEFLO CCc1cc2c([nH+]c1N)C#CCc1cc(O)c(OC)cc1[C@H]1Oc3c(ccc4c3[C@]3(CC[C@H](C3)C2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000150343256 565201147 /nfs/dbraw/zinc/20/11/47/565201147.db2.gz LHYCOTMDCNZLKD-CAFPPBAVSA-N 1 2 686.805 6.846 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)[nH+]c(-c3ccnc(N)c3)c2)CCCC1 ZINC000150345687 565201433 /nfs/dbraw/zinc/20/14/33/565201433.db2.gz RYHAGKZUAFOKPM-JFTVTIBTSA-N 1 2 666.775 6.209 1 30 biogenic,in-vitro KKEFLO CCC[C@H]1CC[C@H]2C[C@]1(C=CC(=O)CCc1ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)[NH3+])ccc54)c3)c1)C[C@H]2O ZINC000085629618 291938623 /nfs/dbraw/zinc/93/86/23/291938623.db2.gz UMBQGSFJCLXYPU-WVLJETRSSA-N 1 2 754.948 7.087 1 30 biogenic,in-vitro KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)nc(N)c2C#N)cc1 ZINC000013223318 561711620 /nfs/dbraw/zinc/71/16/20/561711620.db2.gz UYWPQCPEYPUKEV-UHFFFAOYSA-N 1 2 511.507 7.189 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1nc(N2CCOCC2)c(C#N)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000013489609 561715859 /nfs/dbraw/zinc/71/58/59/561715859.db2.gz RTLDRWAPUHCBNP-MUUNZHRXSA-N 1 2 525.012 5.022 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)cc1C#Cc1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000013554077 561718534 /nfs/dbraw/zinc/71/85/34/561718534.db2.gz CBDOEMKELXJEST-UUWRZZSWSA-N 1 2 504.593 6.536 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(Cl)c(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587355 561720599 /nfs/dbraw/zinc/72/05/99/561720599.db2.gz INXLLPVQCSRCGC-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1CC1CC1)c1ccc(C#N)cc1 ZINC000013587397 561720619 /nfs/dbraw/zinc/72/06/19/561720619.db2.gz XPKOMAYTINMMOL-NDEPHWFRSA-N 1 2 509.997 5.362 1 30 KKEFLO COc1cc(Nc2c3sc(-c4ccc(C(=O)N5CC[NH+](C)CC5)cn4)cc3ncc2C#N)c(Cl)cc1Cl ZINC000014945434 561743151 /nfs/dbraw/zinc/74/31/51/561743151.db2.gz UDNIACWGTACNNL-UHFFFAOYSA-N 1 2 553.475 5.677 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)cc1NS(=O)(=O)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000014952446 561746380 /nfs/dbraw/zinc/74/63/80/561746380.db2.gz AKKQWZHJOANNGA-SSEXGKCCSA-N 1 2 533.613 5.424 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCC)[C@@H](C#Cc2ccccc2)C1C(=O)OC[C@H]1COC(C)(C)O1 ZINC000026835054 561823998 /nfs/dbraw/zinc/82/39/98/561823998.db2.gz MQSZJAFZHAIISG-KFGPOYJBSA-N 1 2 501.579 5.041 1 30 KKEFLO CCCCc1[nH+]cc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccc(C#N)cc2)n1Cc1ccc(C(=O)OC)cc1 ZINC000027207789 561846309 /nfs/dbraw/zinc/84/63/09/561846309.db2.gz CXGIHAZGTYDVDX-VEILYXNESA-N 1 2 553.663 5.538 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(I)c1 ZINC000027319877 561852479 /nfs/dbraw/zinc/85/24/79/561852479.db2.gz ZLNNDPISKMQXCE-VWLOTQADSA-N 1 2 595.828 5.093 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2cccc(Cl)c2)c1 ZINC000027323162 561853004 /nfs/dbraw/zinc/85/30/04/561853004.db2.gz QFVRKKGXFGGVET-WJOKGBTCSA-N 1 2 580.475 6.809 1 30 KKEFLO C/C(=N\O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl)c1ccc(OCCN2CCOCC2)cc1 ZINC000027549425 561867582 /nfs/dbraw/zinc/86/75/82/561867582.db2.gz YTURRWDPRGECNY-CSLYNHGHSA-N 1 2 503.430 5.083 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027862016 561887157 /nfs/dbraw/zinc/88/71/57/561887157.db2.gz DNRNTTDVQRLAPY-RMEMLVJXSA-N 1 2 722.315 7.658 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027862016 561887159 /nfs/dbraw/zinc/88/71/59/561887159.db2.gz DNRNTTDVQRLAPY-RMEMLVJXSA-N 1 2 722.315 7.658 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CCOCC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028337417 561913621 /nfs/dbraw/zinc/91/36/21/561913621.db2.gz GOOQFFQBALUPAI-NDEPHWFRSA-N 1 2 558.564 5.387 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NC[C@@H]2CCCO2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028352650 561915752 /nfs/dbraw/zinc/91/57/52/561915752.db2.gz WISKOZINSNUMIP-OUTSHDOLSA-N 1 2 572.591 6.141 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NC[C@H]2CCOC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353269 561915903 /nfs/dbraw/zinc/91/59/03/561915903.db2.gz ZYGWLFYJQXFHHX-OLILMLBXSA-N 1 2 572.591 5.999 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NCc2cccc(F)c2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028357079 561916305 /nfs/dbraw/zinc/91/63/05/561916305.db2.gz JGQUEDHUYFPAJX-WJOKGBTCSA-N 1 2 596.588 7.302 1 30 KKEFLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[N@H+](C/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570617 561938891 /nfs/dbraw/zinc/93/88/91/561938891.db2.gz FDTWCNPUYSAMHO-OUADDPIDSA-N 1 2 701.712 6.328 1 30 KKEFLO O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[N@@H+](C/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570617 561938893 /nfs/dbraw/zinc/93/88/93/561938893.db2.gz FDTWCNPUYSAMHO-OUADDPIDSA-N 1 2 701.712 6.328 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(C(=O)c2ccccc2F)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029249074 562011039 /nfs/dbraw/zinc/01/10/39/562011039.db2.gz HZCCMFUVKWMUAA-UHFFFAOYSA-N 1 2 639.156 6.466 1 30 KKEFLO CCCCCCCCSc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2cc[nH+]c2)n1 ZINC000036143717 562048125 /nfs/dbraw/zinc/04/81/25/562048125.db2.gz XJXYYMCUGCGBPZ-QFIPXVFZSA-N 1 2 504.745 5.484 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000038153113 562067550 /nfs/dbraw/zinc/06/75/50/562067550.db2.gz KDSTUYFZFNXEGN-IAPPQJPRSA-N 1 2 505.769 7.676 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc(N(C)C)cc2)[NH2+]1 ZINC000038153070 562067569 /nfs/dbraw/zinc/06/75/69/562067569.db2.gz FBTFEAOJEWTTAS-PQHLKRTFSA-N 1 2 503.841 7.834 1 30 KKEFLO N#Cc1c[nH]c(=O)c(-c2ccc(C(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)=C3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000038157855 562069585 /nfs/dbraw/zinc/06/95/85/562069585.db2.gz IMMIYXMQLAQCFS-UHFFFAOYSA-N 1 2 547.556 6.255 1 30 KKEFLO C[C@H]1C#Cc2cc(N)[nH+]cc2CO[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CCC12CCCC2 ZINC000085628536 560068594 /nfs/dbraw/zinc/06/85/94/560068594.db2.gz WPFWJFCLBZTNRQ-XGSJXSIHSA-N 1 2 546.752 6.692 1 30 biogenic,in-vitro KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000043153583 562646434 /nfs/dbraw/zinc/64/64/34/562646434.db2.gz CUKBELAHMLXBPS-YZNIXAGQSA-N 1 2 520.824 7.785 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000043153585 562646497 /nfs/dbraw/zinc/64/64/97/562646497.db2.gz IOXNBUNNEDDVHD-HVNZXBJASA-N 1 2 550.850 7.794 1 30 KKEFLO CCCCCCCCSc1nc(Cc2cn(CC(=O)N[C@H](Cc3ccccc3)C(=O)OCc3ccccc3)c[nH+]2)c[nH]1 ZINC000043260823 562647274 /nfs/dbraw/zinc/64/72/74/562647274.db2.gz JDBXXSOSDHEHPS-SSEXGKCCSA-N 1 2 587.790 6.121 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043569770 562649881 /nfs/dbraw/zinc/64/98/81/562649881.db2.gz WIRMZKBBSRJINY-WFRZNEROSA-N 1 2 515.808 7.502 1 30 KKEFLO CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000043569782 562649884 /nfs/dbraw/zinc/64/98/84/562649884.db2.gz JSIMJZDWYKAZQS-OUTSHDOLSA-N 1 2 522.796 7.014 1 30 KKEFLO CCCCCCCCOC(=O)c1ccc(CO[C@@H](COCc2ccc(OC)cc2)Cn2cc[nH+]c2)cc1 ZINC000043939033 562651271 /nfs/dbraw/zinc/65/12/71/562651271.db2.gz POACZKAOFZANQC-GDLZYMKVSA-N 1 2 508.659 6.211 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000049762237 562676417 /nfs/dbraw/zinc/67/64/17/562676417.db2.gz HGPSVGGKDMVPFK-IYYPMBTRSA-N 1 2 518.808 7.561 1 30 KKEFLO CCCCCCCCCCCCCCCCOC(=O)C[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000049745218 562673757 /nfs/dbraw/zinc/67/37/57/562673757.db2.gz NZPFQQCNKRBQEC-UHFFFAOYSA-N 1 2 529.809 9.867 1 30 KKEFLO CCCCCCCCCCCCCCCCOC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000049745218 562673758 /nfs/dbraw/zinc/67/37/58/562673758.db2.gz NZPFQQCNKRBQEC-UHFFFAOYSA-N 1 2 529.809 9.867 1 30 KKEFLO CC(=[NH+]Nc1ccc(I)cn1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000049745220 562673774 /nfs/dbraw/zinc/67/37/74/562673774.db2.gz ZADIWYPHRKHAFC-QEQPGMSJSA-N 1 2 629.296 6.840 1 30 KKEFLO CCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049766863 562677251 /nfs/dbraw/zinc/67/72/51/562677251.db2.gz GMIQYTGXYWHVED-VMPREFPWSA-N 1 2 531.807 7.205 1 30 KKEFLO Cn1c[nH+]cc1CC1=Cc2cccnc2[C@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000049767477 562677596 /nfs/dbraw/zinc/67/75/96/562677596.db2.gz ZSYJYYUVPLVWFO-SSEXGKCCSA-N 1 2 550.066 5.376 1 30 KKEFLO COc1c(Br)cc(C/C(=N\O)C(=O)NCCc2cc(Br)c(OCCC[NH3+])c(Br)c2)cc1Br ZINC000049844794 562688628 /nfs/dbraw/zinc/68/86/28/562688628.db2.gz FFBZJAAHSZTQCP-MTDXEUNCSA-N 1 2 701.048 5.204 1 30 KKEFLO CCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(CC(=NO)C(=O)NCCc2c[nH+]c(N)[nH]2)cc1Br ZINC000049937622 562694947 /nfs/dbraw/zinc/69/49/47/562694947.db2.gz GKUJVGYRWHGSBN-NOACJBATSA-N 1 2 728.571 6.835 1 30 KKEFLO CCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(C/C(=N/O)C(=O)NCCc2c[nH]c(N)[nH+]2)cc1Br ZINC000049937622 562694948 /nfs/dbraw/zinc/69/49/48/562694948.db2.gz GKUJVGYRWHGSBN-NOACJBATSA-N 1 2 728.571 6.835 1 30 KKEFLO CC(=O)Nc1cccn2c(C#Cc3cc(C(=O)Nc4cc(-n5cc[nH+]c5)cc(C(F)(F)F)c4)ccc3C)cnc12 ZINC000053298933 562697542 /nfs/dbraw/zinc/69/75/42/562697542.db2.gz VMFUXAFEDBBWDS-UHFFFAOYSA-N 1 2 542.521 5.458 1 30 KKEFLO CON=C1C2[C@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@@H](c1ccccc1F)[NH2+][C@H]2c1ccccc1F ZINC000064513280 562706385 /nfs/dbraw/zinc/70/63/85/562706385.db2.gz RMDYEYDRYRFHPD-IKTFRGFKSA-N 1 2 545.580 6.949 1 30 KKEFLO Cc1ccc(/C=C/C(=O)c2ccc(N3CC[NH+](Cc4cc(C(=O)/C=C/c5ccc(C)o5)ccc4O)CC3)cc2)o1 ZINC000066098206 562710895 /nfs/dbraw/zinc/71/08/95/562710895.db2.gz JZXSHUSIUVOYQQ-WSGPNKEYSA-N 1 2 536.628 6.309 1 30 KKEFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072110068 562721714 /nfs/dbraw/zinc/72/17/14/562721714.db2.gz PWHXAPGBVPBRPF-SBRKFVQASA-N 1 2 733.667 7.131 1 30 KKEFLO N/C(=N\O)c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4ccc(/C(N)=[NH+]/O)cc4)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000072122094 562724356 /nfs/dbraw/zinc/72/43/56/562724356.db2.gz KBTOEOJFNVQJFN-UHFFFAOYSA-N 1 2 645.741 6.126 1 30 KKEFLO CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=[NH2+])NOC(=O)c2cccc(O)c2O)cc1 ZINC000073296349 562737750 /nfs/dbraw/zinc/73/77/50/562737750.db2.gz ZCQGJBQKTKPKDX-UHFFFAOYSA-N 1 2 519.001 5.438 1 30 KKEFLO C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)N1CC[NH+](C)CC1 ZINC000082138103 562739197 /nfs/dbraw/zinc/73/91/97/562739197.db2.gz IKBUPNXLQHUNBE-FLXGUZKTSA-N 1 2 652.873 5.065 1 30 KKEFLO C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)N1CC[NH+](C)CC1 ZINC000082139964 562739276 /nfs/dbraw/zinc/73/92/76/562739276.db2.gz BYVIENHIYQXART-LNWQYIOWSA-N 1 2 694.910 5.635 1 30 KKEFLO O/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CC[NH+]1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000084462494 562743157 /nfs/dbraw/zinc/74/31/57/562743157.db2.gz JRQLUGQQZPCLHN-BKKMXZSBSA-N 1 2 663.486 8.535 1 30 KKEFLO O=C(C(=Cc1ccc(Cl)cc1Cl)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084652763 562746650 /nfs/dbraw/zinc/74/66/50/562746650.db2.gz PPIAFXQZKMVOBN-ANMAPYRRSA-N 1 2 607.324 9.597 1 30 KKEFLO COc1ccc2c(c1)/C(=N\OC(C)=O)c1c-2c(Nc2ccc(/C(C)=[NH+]/OC(C)=O)cc2)nc2ccccc12 ZINC000084654361 562747271 /nfs/dbraw/zinc/74/72/71/562747271.db2.gz KFZTVOOQICQANC-ZDPWODRWSA-N 1 2 508.534 5.570 1 30 KKEFLO Cc1ccc(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000084707204 562750077 /nfs/dbraw/zinc/75/00/77/562750077.db2.gz PHWVSYPVAYUHHI-UNNVYABOSA-N 1 2 552.461 8.599 1 30 KKEFLO COc1ccc(-n2n[o+]c([O-])c2C=Nn2c([C@H](C)c3ccc(CC(C)C)cc3)nn(C[NH+]3CCCCC3)c2=S)cc1 ZINC000084726976 562751345 /nfs/dbraw/zinc/75/13/45/562751345.db2.gz WCYFBRMMZZFYOB-JOCHJYFZSA-O 1 2 576.747 5.069 1 30 KKEFLO O=C(C1=C(OC2CCCCC2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095572207 562769316 /nfs/dbraw/zinc/76/93/16/562769316.db2.gz KDNBRPQIUJERHA-SANMLTNESA-N 1 2 548.481 6.106 1 30 KKEFLO CCCCCOC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)N(CCCn2cc[nH+]c2)C1=O ZINC000095572154 562769364 /nfs/dbraw/zinc/76/93/64/562769364.db2.gz PBXZNWQSSWAGAV-RUZDIDTESA-N 1 2 536.470 5.963 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccccc2Br)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095577085 562770854 /nfs/dbraw/zinc/77/08/54/562770854.db2.gz ZHHPEOXVARRUTR-MHZLTWQESA-N 1 2 620.345 6.631 1 30 KKEFLO C=C(C)C(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3)c3c2nc[nH+]c3N)C1 ZINC000095577484 562770980 /nfs/dbraw/zinc/77/09/80/562770980.db2.gz GDSKXDWCXDTSMQ-XMMPIXPASA-N 1 2 523.641 5.191 1 30 KKEFLO CCC/[NH+]=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1ccc(Cn2cnc4c2ncnc4Cl)cc1)OCO3 ZINC000095579974 562771720 /nfs/dbraw/zinc/77/17/20/562771720.db2.gz XURTWKCEZNEVII-SEKWETGJSA-N 1 2 710.187 6.652 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@H]2C)CC[N@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCc2ccccc2)c2cccnc2)c1)C3 ZINC000095612231 562785359 /nfs/dbraw/zinc/78/53/59/562785359.db2.gz RFMBHTGKFFEZJO-KCAVDKSYSA-N 1 2 784.386 8.839 1 30 KKEFLO Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=N[C@H]2C)CC[N@@H+](Cc1cccc(/C(=N\OCCCCC(=O)OCc2ccccc2)c2cccnc2)c1)C3 ZINC000095612231 562785360 /nfs/dbraw/zinc/78/53/60/562785360.db2.gz RFMBHTGKFFEZJO-KCAVDKSYSA-N 1 2 784.386 8.839 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000096269745 562792988 /nfs/dbraw/zinc/79/29/88/562792988.db2.gz ACEKJSVJSPWCFJ-QEJYEJBOSA-N 1 2 664.205 7.857 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000096269745 562792989 /nfs/dbraw/zinc/79/29/89/562792989.db2.gz ACEKJSVJSPWCFJ-QEJYEJBOSA-N 1 2 664.205 7.857 1 30 KKEFLO Cc1ccc(/C=C2\C[N@@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@]32c3cccc4cccc(c34)C2=O)cc1 ZINC000096272742 562794208 /nfs/dbraw/zinc/79/42/08/562794208.db2.gz RVVSWWHORXKGJZ-QATLYCBZSA-N 1 2 570.758 6.605 1 30 KKEFLO Cc1ccc(/C=C2\C[N@H+](C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@]32c3cccc4cccc(c34)C2=O)cc1 ZINC000096272742 562794209 /nfs/dbraw/zinc/79/42/09/562794209.db2.gz RVVSWWHORXKGJZ-QATLYCBZSA-N 1 2 570.758 6.605 1 30 KKEFLO CCCCCC=Nc1ccc2c(c1)[nH+]c(CCCC)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000098084622 562805719 /nfs/dbraw/zinc/80/57/19/562805719.db2.gz ORBZJWPBIYQQMP-UZWMFBFFSA-N 1 2 505.670 7.557 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OCc2ccc([N+](=O)[O-])cc2)[C@@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000100032149 562806207 /nfs/dbraw/zinc/80/62/07/562806207.db2.gz MOUCZLGFFQYULK-MMZFVREHSA-N 1 2 522.557 5.998 1 30 KKEFLO COc1ccc(C/C(=N/O)C(=O)NCCc2cc(Br)c(OCCC[NH+](C)C)c(Br)c2)cc1Br ZINC000150611787 562848502 /nfs/dbraw/zinc/84/85/02/562848502.db2.gz RCOAHKXJTMBQLI-RRAHZORUSA-N 1 2 650.206 5.045 1 30 KKEFLO Cc1ccc2c(c1)C(=O)C(=O)N2CCCn1cc(COc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)nn1 ZINC000103265165 562822095 /nfs/dbraw/zinc/82/20/95/562822095.db2.gz HCFNEDYODUGVBZ-KVAAJVFYSA-N 1 2 580.048 5.433 1 30 KKEFLO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cccc(OCCCn6cc[nH+]c6)c5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118921536 562830979 /nfs/dbraw/zinc/83/09/79/562830979.db2.gz PSGQQNADOJIIBF-DCNPFPPPSA-N 1 2 542.720 6.809 1 30 KKEFLO Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)c[nH+]1 ZINC000141621258 562833624 /nfs/dbraw/zinc/83/36/24/562833624.db2.gz JNUQAYABTZKTEL-UHFFFAOYSA-N 1 2 500.378 5.776 1 30 KKEFLO C[N+](C)(CC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538994 562844097 /nfs/dbraw/zinc/84/40/97/562844097.db2.gz ANUSIJLVCHDGEY-UHFFFAOYSA-P 1 2 924.500 7.629 1 30 KKEFLO C[N+](C)(CC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)[N-]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538994 562844098 /nfs/dbraw/zinc/84/40/98/562844098.db2.gz ANUSIJLVCHDGEY-UHFFFAOYSA-P 1 2 924.500 7.629 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000169291905 562851972 /nfs/dbraw/zinc/85/19/72/562851972.db2.gz JPFZLPCINWHUKQ-MSEJLTFDSA-N 1 2 646.836 7.219 1 30 KKEFLO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000169324004 562857262 /nfs/dbraw/zinc/85/72/62/562857262.db2.gz DKXNGEZUOBKLSD-KEIPNQJHSA-N 1 2 578.666 5.323 1 30 KKEFLO CC(=O)N[C@H]1CCN(c2nc(CO[C@@H](c3c[nH+]cn3C)c3ccc(C#N)c(-c4ccccc4C(F)(F)F)c3)ccc2C#N)C1 ZINC000169373385 562864892 /nfs/dbraw/zinc/86/48/92/562864892.db2.gz BNHGUWSAFIQWGI-QABMSTFYSA-N 1 2 599.617 5.265 1 30 KKEFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCC(F)(F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700948 562867843 /nfs/dbraw/zinc/86/78/43/562867843.db2.gz LBIYJHFELYTLFG-UHFFFAOYSA-N 1 2 749.506 8.177 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2c(O)cccc2F)c1Cl ZINC000169701047 562867882 /nfs/dbraw/zinc/86/78/82/562867882.db2.gz MHMOEVBJUKPCEL-UHFFFAOYSA-N 1 2 749.515 7.859 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c1Cl ZINC000169701050 562867973 /nfs/dbraw/zinc/86/79/73/562867973.db2.gz JZODZWFFSSQYHS-SSEXGKCCSA-N 1 2 783.960 8.377 1 30 KKEFLO COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000169704797 562869134 /nfs/dbraw/zinc/86/91/34/562869134.db2.gz OSMXCUXDGYBNAC-UHFFFAOYSA-N 1 2 519.605 5.080 1 30 KKEFLO C#CCN1c2ccccc2[C@@]2(C1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCC[N@@H+]12 ZINC000299827197 562884079 /nfs/dbraw/zinc/88/40/79/562884079.db2.gz NQUAGYJEMJBPCZ-VKNDYUARSA-N 1 2 652.758 6.850 1 30 KKEFLO C#CCN1c2ccccc2[C@@]2(C1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCC[N@H+]12 ZINC000299827197 562884080 /nfs/dbraw/zinc/88/40/80/562884080.db2.gz NQUAGYJEMJBPCZ-VKNDYUARSA-N 1 2 652.758 6.850 1 30 KKEFLO S=c1n(C[NH+]2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 ZINC000299829958 562885044 /nfs/dbraw/zinc/88/50/44/562885044.db2.gz NDTLNDYHSFQSJT-STBIYBPSSA-N 1 2 557.576 7.442 1 30 KKEFLO CC[C@@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299833653 562886210 /nfs/dbraw/zinc/88/62/10/562886210.db2.gz IADMNKNLHKANPO-KKIUXKEOSA-N 1 2 636.745 7.387 1 30 KKEFLO CC[C@@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299833650 562886218 /nfs/dbraw/zinc/88/62/18/562886218.db2.gz IADMNKNLHKANPO-FZYZMVIOSA-N 1 2 636.745 7.387 1 30 KKEFLO Cc1cc(C#N)cc(C)c1Oc1ccnc(NC2CC[NH+](CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000299852272 562890899 /nfs/dbraw/zinc/89/08/99/562890899.db2.gz PRIKBGRYTJATRE-UHFFFAOYSA-N 1 2 525.440 5.579 1 30 KKEFLO CC(C)(C)C(=O)Nc1c[nH+]c2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(C(C)(C)C#N)cc1 ZINC000653737656 562909800 /nfs/dbraw/zinc/90/98/00/562909800.db2.gz PYFAYJLRMWJLJF-UHFFFAOYSA-N 1 2 513.645 7.401 1 30 KKEFLO C[NH2+]CCCOc1c(Br)cc(CCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000653790424 562912582 /nfs/dbraw/zinc/91/25/82/562912582.db2.gz GTDUPJAILGQJRR-VUTHCHCSSA-N 1 2 715.075 5.465 1 30 KKEFLO CCCCCCCC[C@@H](CCCCCCCCC(=O)OC)SCC(=O)N[C@H](C(=O)OC)c1c[nH]c[nH+]1 ZINC000653796576 562913180 /nfs/dbraw/zinc/91/31/80/562913180.db2.gz FSDYFPQUTSURIM-NVQXNPDNSA-N 1 2 525.756 5.886 1 30 KKEFLO CCCCCCCC[C@@H](CCCCCCCCC(=O)OC)SCC(=O)N[C@H](C(=O)OC)c1c[nH+]c[nH]1 ZINC000653796576 562913181 /nfs/dbraw/zinc/91/31/81/562913181.db2.gz FSDYFPQUTSURIM-NVQXNPDNSA-N 1 2 525.756 5.886 1 30 KKEFLO CCCCCCCCCCCCn1c2ccccc2[nH+]c1Cn1cc(F)c(=O)n(CCCCCCCCCCCC)c1=O ZINC000653823312 562914262 /nfs/dbraw/zinc/91/42/62/562914262.db2.gz YLCCUKHQXOFCMS-UHFFFAOYSA-N 1 2 596.876 9.389 1 30 KKEFLO COc1ccc2cc([C@H]3c4c(N)c5c([nH+]c4OC4=C3C(=O)CC(C)(C)C4)CCCCC5)c(Cl)nc2c1 ZINC000653882159 562916797 /nfs/dbraw/zinc/91/67/97/562916797.db2.gz RQCFRYUBXHXUOP-HSZRJFAPSA-N 1 2 504.030 6.310 1 30 KKEFLO CCC[NH2+]C[C@H](O)[C@H](CCC)[C@@H]1C[C@H]2C([O-])=CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2cc[nH+]c(N)c2)C1 ZINC000085631447 565164538 /nfs/dbraw/zinc/16/45/38/565164538.db2.gz CVXWYOYGSHWOQF-TYKJJUIASA-N 1 2 693.929 6.656 1 30 biogenic,in-vitro KKEFLO CCC[NH2+]C[C@H](O)[C@H](CCC)[C@@H]1C[C@H]2C(=O)C=C([O-])CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@@H](Cc2cc[nH+]c(N)c2)C1 ZINC000085631447 565164541 /nfs/dbraw/zinc/16/45/41/565164541.db2.gz CVXWYOYGSHWOQF-TYKJJUIASA-N 1 2 693.929 6.656 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3cc[nH+]c(N)c3C=C[C@@]2(CO)Cc2ccc(CC)[nH]2)c1 ZINC000085631395 565164698 /nfs/dbraw/zinc/16/46/98/565164698.db2.gz OJZHMPHFDJEZLJ-MTFQNXCDSA-N 1 2 616.779 5.227 1 30 biogenic,in-vitro KKEFLO CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](c4cc[nH+]c(N)c4)C4(c5ccc[nH]5)CCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631833 565165468 /nfs/dbraw/zinc/16/54/68/565165468.db2.gz CLEDLUDJXHYDRS-DTKMFVLRSA-N 1 2 666.883 6.510 1 30 biogenic,in-vitro KKEFLO N#Cc1ccc2cc1Oc1ccc(CCC3CCCCC3)c(c1)CN1CCN(Cc3c[nH+]cn3C2)CC1=O ZINC000013589250 561721139 /nfs/dbraw/zinc/72/11/39/561721139.db2.gz YIZSZHVXFHAUCR-UHFFFAOYSA-N 1 2 509.654 5.266 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4coc(C[NH+]5CCOCC5)c4)c(OC)cc32)c(Cl)cc1Cl ZINC000014951765 561746286 /nfs/dbraw/zinc/74/62/86/561746286.db2.gz UOCJWOPVMGCOOS-UHFFFAOYSA-N 1 2 539.419 6.266 1 30 KKEFLO COc1ccc([C@](C#N)(CCCCC[NH+]2Cc3cc(Cl)c(Cl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263130 561775870 /nfs/dbraw/zinc/77/58/70/561775870.db2.gz IUXVTTIEWNQBCE-SSEXGKCCSA-N 1 2 555.571 8.406 1 30 KKEFLO C#CCN(Cc1cc2c(cc1Cl)nc(C[NH+]1CCCCC1)n(CC(=O)N1CCCCC1)c2=O)c1ccc(C(=O)NCc2cccnc2)cc1 ZINC000027193993 561843974 /nfs/dbraw/zinc/84/39/74/561843974.db2.gz MGBRABZRCJZSAL-UHFFFAOYSA-N 1 2 680.253 5.013 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2ccc(Cl)cc2)c1 ZINC000027318790 561852169 /nfs/dbraw/zinc/85/21/69/561852169.db2.gz AQTMMHDZTUQGJD-WJOKGBTCSA-N 1 2 630.026 7.054 1 30 KKEFLO C[C@@H](O[C@@H]1OCCN(Cc2n[nH]nc2C[NH+]2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027429933 561859023 /nfs/dbraw/zinc/85/90/23/561859023.db2.gz BUZFNMDWWXZBPX-MNCIPDHPSA-N 1 2 587.540 5.865 1 30 KKEFLO C=C(C[NH+]1CCOCC1)C(=O)Nc1cc2c(cc1OCC)ncc(C#N)c2Nc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000028125120 561904788 /nfs/dbraw/zinc/90/47/88/561904788.db2.gz GASRAFPOGFLNOD-UHFFFAOYSA-N 1 2 598.103 6.308 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1cn(Cc2cccc(F)c2)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000028352780 561915802 /nfs/dbraw/zinc/91/58/02/561915802.db2.gz ACLAJGXZPMTKKQ-HKBQPEDESA-N 1 2 539.010 6.267 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C(F)(F)F)c(F)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028357961 561916450 /nfs/dbraw/zinc/91/64/50/561916450.db2.gz LYWHAXRXIYZSRW-RUZDIDTESA-N 1 2 533.447 7.442 1 30 KKEFLO N#Cc1ccc(COCc2c[nH+]cn2Cc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)c(-c2ccc3c(c2)OCO3)c1 ZINC000028392408 561922572 /nfs/dbraw/zinc/92/25/72/561922572.db2.gz GQYPRGGNCKGHIV-UHFFFAOYSA-N 1 2 568.589 6.183 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc2ccccc2c1 ZINC000029210045 562005680 /nfs/dbraw/zinc/00/56/80/562005680.db2.gz VRSNOOISIRFSDW-UHFFFAOYSA-N 1 2 548.046 6.251 1 30 KKEFLO COc1cccc(C(=O)N(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)c1 ZINC000029235178 562009641 /nfs/dbraw/zinc/00/96/41/562009641.db2.gz XGBGDUQBOSFEEN-UHFFFAOYSA-N 1 2 651.192 6.336 1 30 KKEFLO CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C(=O)NCc1ccccc1)N(Cc1c[nH+]cn1Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1 ZINC000029238893 562009988 /nfs/dbraw/zinc/00/99/88/562009988.db2.gz SZAVJLYWVQGCOY-QVWQWRLRSA-N 1 2 703.953 8.488 1 30 KKEFLO N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1cccs1)[NH2+]Cc1cncn1C2 ZINC000029486753 562028527 /nfs/dbraw/zinc/02/85/27/562028527.db2.gz YUFXAWQITMCWMO-HHHXNRCGSA-N 1 2 505.603 5.463 1 30 KKEFLO CCCCCCCC(=O)C=C(O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631561 560067854 /nfs/dbraw/zinc/06/78/54/560067854.db2.gz ATZWVVYAHUKRDY-DLLPINGYSA-N 1 2 548.704 5.296 1 30 biogenic,in-vitro KKEFLO CCCCCCCC(O)=CC(=O)CCc1cc(OC)c(O)c([C@@H](c2cc[nH+]c(N)c2)[C@H](CO)Cc2ccc[nH]2)c1 ZINC000085631561 560067855 /nfs/dbraw/zinc/06/78/55/560067855.db2.gz ATZWVVYAHUKRDY-DLLPINGYSA-N 1 2 548.704 5.296 1 30 biogenic,in-vitro KKEFLO Nc1cc2c(c[nH+]1)CO[C@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)CCC[C@H](CCCO)C#C2 ZINC000085628539 560068623 /nfs/dbraw/zinc/06/86/23/560068623.db2.gz RCKISCNHKUAHHY-LFOKJVLGSA-N 1 2 536.713 5.274 1 30 biogenic,in-vitro KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043574689 562649942 /nfs/dbraw/zinc/64/99/42/562649942.db2.gz WIRMZKBBSRJINY-XICLQEALSA-N 1 2 515.808 7.502 1 30 KKEFLO CCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1)S(C)(=O)=O ZINC000043845692 562651012 /nfs/dbraw/zinc/65/10/12/562651012.db2.gz YBPOTRJVEJSFCR-UHFFFAOYSA-N 1 2 534.638 6.693 1 30 KKEFLO CCCCCCCCN(CCCCCCCC)C(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000044005527 562651423 /nfs/dbraw/zinc/65/14/23/562651423.db2.gz LXTUXZYRGCSJCN-CUBQBAPOSA-N 1 2 522.796 6.966 1 30 KKEFLO Cn1c[nH+]cc1CC1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000049763109 562676864 /nfs/dbraw/zinc/67/68/64/562676864.db2.gz ZSYJYYUVPLVWFO-PMERELPUSA-N 1 2 550.066 5.376 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)[NH2+]1 ZINC000049766399 562677041 /nfs/dbraw/zinc/67/70/41/562677041.db2.gz AJUYYBJMLMXVMO-HPBFBLLJSA-N 1 2 548.834 7.570 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049767613 562677614 /nfs/dbraw/zinc/67/76/14/562677614.db2.gz HMKNTXYOQYHADI-YMDZQTIYSA-N 1 2 542.104 5.244 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049767613 562677615 /nfs/dbraw/zinc/67/76/15/562677615.db2.gz HMKNTXYOQYHADI-YMDZQTIYSA-N 1 2 542.104 5.244 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771920 562678458 /nfs/dbraw/zinc/67/84/58/562678458.db2.gz YKPAFORHNSIFOH-SFJPHYQLSA-N 1 2 580.710 5.116 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771920 562678459 /nfs/dbraw/zinc/67/84/59/562678459.db2.gz YKPAFORHNSIFOH-SFJPHYQLSA-N 1 2 580.710 5.116 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049775224 562678959 /nfs/dbraw/zinc/67/89/59/562678959.db2.gz DVKNDHXTFJCYCV-SFJPHYQLSA-N 1 2 570.158 5.861 1 30 KKEFLO Cc1ccccc1/C=C1\C[N@H+](C)C[C@@]2(C1=O)[C@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049775224 562678960 /nfs/dbraw/zinc/67/89/60/562678960.db2.gz DVKNDHXTFJCYCV-SFJPHYQLSA-N 1 2 570.158 5.861 1 30 KKEFLO COc1ccc([C@](C#N)(CCC[N@@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)N(O)C2(C)C)C(C)C)cc1OC ZINC000049780676 562682091 /nfs/dbraw/zinc/68/20/91/562682091.db2.gz SOPNFKUTUHHEAI-DHUJRADRSA-N 1 2 577.810 6.952 1 30 KKEFLO COc1ccc([C@](C#N)(CCC[N@H+](CCc2ccc(C)c(OC)c2)CC2=CC(C)(C)N(O)C2(C)C)C(C)C)cc1OC ZINC000049780676 562682092 /nfs/dbraw/zinc/68/20/92/562682092.db2.gz SOPNFKUTUHHEAI-DHUJRADRSA-N 1 2 577.810 6.952 1 30 KKEFLO Cc1cccc(C)c1C[NH2+][C@@]1(CCC(C)(C)C)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049803473 562686109 /nfs/dbraw/zinc/68/61/09/562686109.db2.gz RGLQGAGMCKRGQY-XIFFEERXSA-N 1 2 650.823 5.551 1 30 KKEFLO CC(C)(C)CC[C@]1([NH2+]Cc2ccc3ccccc3c2)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049841587 562688515 /nfs/dbraw/zinc/68/85/15/562688515.db2.gz RVURIWXELGVDTH-DHUJRADRSA-N 1 2 672.829 6.087 1 30 KKEFLO CCOP(=O)(CC[NH+]1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000049872496 562690065 /nfs/dbraw/zinc/69/00/65/562690065.db2.gz ZCWVUWHBOMXWNT-YHARCJFQSA-N 1 2 529.486 5.121 1 30 KKEFLO Cc1ccccc1/C=C1\CCC[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSC[N@@H+]1[C@]21c2cccc3cccc(c23)C1=O ZINC000049888903 562691589 /nfs/dbraw/zinc/69/15/89/562691589.db2.gz QJSFZGGXZCECIZ-KHQFBFEWSA-N 1 2 555.743 7.844 1 30 KKEFLO Cc1ccccc1/C=C1\CCC[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSC[N@H+]1[C@]21c2cccc3cccc(c23)C1=O ZINC000049888903 562691590 /nfs/dbraw/zinc/69/15/90/562691590.db2.gz QJSFZGGXZCECIZ-KHQFBFEWSA-N 1 2 555.743 7.844 1 30 KKEFLO Cc1cc(C)c(C[NH2+][C@@]2(CCC(C)(C)C)c3ccccc3C(=O)C(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4N3)C2=O)c(C)c1 ZINC000049889133 562691797 /nfs/dbraw/zinc/69/17/97/562691797.db2.gz ZSWLKWVVIOMROC-UMSFTDKQSA-N 1 2 664.850 5.859 1 30 KKEFLO CC[NH2+][C@H](CC)C(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294197 562697245 /nfs/dbraw/zinc/69/72/45/562697245.db2.gz AVCJOCSUKBWQLN-HSZRJFAPSA-N 1 2 527.556 5.304 1 30 KKEFLO C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccc(/C(N)=[NH+]/O)cc3)cc2)O1 ZINC000064361563 562704800 /nfs/dbraw/zinc/70/48/00/562704800.db2.gz RBJXAJZPNPXNKT-JGCGQSQUSA-N 1 2 597.697 5.183 1 30 KKEFLO C=C(C)c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)[nH+]c1 ZINC000066103764 562711614 /nfs/dbraw/zinc/71/16/14/562711614.db2.gz AWTBEZZWFBUKKS-UHFFFAOYSA-N 1 2 519.649 6.564 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@@H]2c2ccccc2)cc1 ZINC000066113909 562712257 /nfs/dbraw/zinc/71/22/57/562712257.db2.gz LRGWWVBOUHPAGA-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@@H]2c2ccccc2)cc1 ZINC000066113909 562712258 /nfs/dbraw/zinc/71/22/58/562712258.db2.gz LRGWWVBOUHPAGA-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC[C@@H]2c2ccccc2)cc1 ZINC000066113909 562712259 /nfs/dbraw/zinc/71/22/59/562712259.db2.gz LRGWWVBOUHPAGA-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]2c2ccccc2)cc1 ZINC000066123033 562712399 /nfs/dbraw/zinc/71/23/99/562712399.db2.gz KITKUQOXPMTFBP-CWEHZJIWSA-N 1 2 533.720 5.795 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]2c2ccccc2)cc1 ZINC000066123033 562712400 /nfs/dbraw/zinc/71/24/00/562712400.db2.gz KITKUQOXPMTFBP-CWEHZJIWSA-N 1 2 533.720 5.795 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC[C@@H]2c2ccccc2)cc1 ZINC000066123033 562712401 /nfs/dbraw/zinc/71/24/01/562712401.db2.gz KITKUQOXPMTFBP-CWEHZJIWSA-N 1 2 533.720 5.795 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@@H+]2CC[C@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124437 562712720 /nfs/dbraw/zinc/71/27/20/562712720.db2.gz CSRCFUQWRZLMBX-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2cncc2C[N@H+]2CC[C@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124437 562712721 /nfs/dbraw/zinc/71/27/21/562712721.db2.gz CSRCFUQWRZLMBX-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN2CC[C@H](c3ccccc3)N(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000066124437 562712722 /nfs/dbraw/zinc/71/27/22/562712722.db2.gz CSRCFUQWRZLMBX-GDLZYMKVSA-N 1 2 544.486 6.199 1 30 KKEFLO CCCCCCCCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072107959 562721423 /nfs/dbraw/zinc/72/14/23/562721423.db2.gz FJOYEEPYWFYICH-DHUJRADRSA-N 1 2 616.644 10.061 1 30 KKEFLO O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3O)CC2)cc1 ZINC000072122132 562724403 /nfs/dbraw/zinc/72/44/03/562724403.db2.gz MCCWJGKAPAONSN-BYDSPXIWSA-N 1 2 666.432 9.120 1 30 KKEFLO CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccc(-c6cc(C(F)(F)F)ccc6OCc6ccccc6)c[nH+]5)CC4)cc3)oc21 ZINC000072123764 562724973 /nfs/dbraw/zinc/72/49/73/562724973.db2.gz UGYWZKWMWSZQMD-UHFFFAOYSA-N 1 2 729.803 9.796 1 30 KKEFLO CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000072149310 562730013 /nfs/dbraw/zinc/73/00/13/562730013.db2.gz WTUBUQVJCFYLTB-NDEPHWFRSA-N 1 2 657.868 7.765 1 30 KKEFLO CN(C)CC[NH+](C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181402 562732687 /nfs/dbraw/zinc/73/26/87/562732687.db2.gz MXFCSBWWRWTMCG-VXKWHMMOSA-N 1 2 702.540 7.489 1 30 KKEFLO CN(C)CC[NH+](C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181404 562732690 /nfs/dbraw/zinc/73/26/90/562732690.db2.gz MXFCSBWWRWTMCG-FGZHOGPDSA-N 1 2 702.540 7.489 1 30 KKEFLO CN(C)CC[N@H+](C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181403 562732725 /nfs/dbraw/zinc/73/27/25/562732725.db2.gz MXFCSBWWRWTMCG-SZPZYZBQSA-N 1 2 702.540 7.489 1 30 KKEFLO CN(C)CC[N@@H+](C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000072181403 562732726 /nfs/dbraw/zinc/73/27/26/562732726.db2.gz MXFCSBWWRWTMCG-SZPZYZBQSA-N 1 2 702.540 7.489 1 30 KKEFLO N#Cc1c(N)nc(-c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000073355238 562738315 /nfs/dbraw/zinc/73/83/15/562738315.db2.gz IKDDSIVWLPUDKP-UHFFFAOYSA-N 1 2 526.478 7.088 1 30 KKEFLO N#Cc1cccc(C(=O)[C@@H](Nc2ccc(Cl)cc2)N[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c1 ZINC000084422477 562743063 /nfs/dbraw/zinc/74/30/63/562743063.db2.gz BLCSSYPEKDJKEN-RSXGOPAZSA-N 1 2 524.839 6.367 1 30 KKEFLO CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCC[NH+]1CCOCC1 ZINC000084617319 562744829 /nfs/dbraw/zinc/74/48/29/562744829.db2.gz ASNKHNLLYPGHQM-IRLDBZIGSA-N 1 2 710.602 5.867 1 30 KKEFLO Cc1ccc(-n2n[o+]c([O-])c2C=Nn2c([C@H](C)c3ccc(CC(C)C)cc3)nn(C[NH+]3CCCCC3)c2=S)cc1 ZINC000084670837 562748421 /nfs/dbraw/zinc/74/84/21/562748421.db2.gz VINYVLSTJOZWIK-HSZRJFAPSA-O 1 2 560.748 5.369 1 30 KKEFLO COc1ccc(OC)c(C=C(Oc2ccc(C=NNc3cc[nH+]c4cc(Cl)ccc34)cc2)C(=O)c2ccc(Cl)cc2)c1 ZINC000084707207 562750099 /nfs/dbraw/zinc/75/00/99/562750099.db2.gz OIXFGOXCHPFACV-NKTJIHRWSA-N 1 2 598.486 8.308 1 30 KKEFLO O=C(C(=Cc1ccc([N+](=O)[O-])cc1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084730156 562751628 /nfs/dbraw/zinc/75/16/28/562751628.db2.gz QZAXOFATAPAJON-NBERBOIYSA-N 1 2 583.431 8.199 1 30 KKEFLO O=C([N-]S(=O)(=O)CC12C[C@H]3C[C@@H](C1)CC(OCC[NH+]1CCOCC1)(C3)C2)c1ccc(N2CC[NH+](Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000084732678 562751862 /nfs/dbraw/zinc/75/18/62/562751862.db2.gz JUSSDUSHYLMUFB-JXRDSNDXSA-N 1 2 747.402 6.651 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(Nc3ccccc3)cc2)cc1 ZINC000095552966 562760816 /nfs/dbraw/zinc/76/08/16/562760816.db2.gz CJHNIQVLNPMCEG-MGBGTMOVSA-N 1 2 684.822 7.126 1 30 KKEFLO Cc1cc(F)ccc1-c1cc(N2CCC3(CC2)OCCS3(=O)=O)[nH+]cc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095559345 562762713 /nfs/dbraw/zinc/76/27/13/562762713.db2.gz DGDAEJXIYKFTSC-UHFFFAOYSA-N 1 2 687.678 6.916 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000095559559 562762758 /nfs/dbraw/zinc/76/27/58/562762758.db2.gz UYJXMQDQMVVXSA-FOYYQAIFSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000095559559 562762759 /nfs/dbraw/zinc/76/27/59/562762759.db2.gz UYJXMQDQMVVXSA-FOYYQAIFSA-N 1 2 674.890 7.999 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccc(N)[nH+]c1 ZINC000095583658 562773015 /nfs/dbraw/zinc/77/30/15/562773015.db2.gz ZTXNXQPNWITAID-UHFFFAOYSA-N 1 2 501.952 5.045 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccccc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095576845 562770724 /nfs/dbraw/zinc/77/07/24/562770724.db2.gz VFTWARKXUXUFHZ-MHZLTWQESA-N 1 2 541.449 5.868 1 30 KKEFLO CCOc1ccc(N=C2C(=O)N(CCCn3cc[nH+]c3)[C@H](c3ccc(Br)cc3)C2C(=O)c2ccccc2)cc1 ZINC000095579866 562771697 /nfs/dbraw/zinc/77/16/97/562771697.db2.gz MWROHNWNIMEKPP-GDLZYMKVSA-N 1 2 585.502 6.267 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1C1CC[NH2+]CC1 ZINC000095584706 562773322 /nfs/dbraw/zinc/77/33/22/562773322.db2.gz OLFOBRCLKZYECC-UHFFFAOYSA-N 1 2 509.440 5.382 1 30 KKEFLO COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCn4cc[nH+]c4)c(OC)c3)C2=O)ccc1OCCCn1ccnc1 ZINC000095595002 562776578 /nfs/dbraw/zinc/77/65/78/562776578.db2.gz LPRITZZOJDLPEP-MKYUKRCKSA-N 1 2 568.674 5.865 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000096269751 562792993 /nfs/dbraw/zinc/79/29/93/562792993.db2.gz DHHBSXMJIWJCNZ-WFUNVFJHSA-N 1 2 600.065 5.828 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000096269751 562792994 /nfs/dbraw/zinc/79/29/94/562792994.db2.gz DHHBSXMJIWJCNZ-WFUNVFJHSA-N 1 2 600.065 5.828 1 30 KKEFLO CC(C)(C)OC(=O)N[C@@H](C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21)C(C)(C)C ZINC000096906729 562798844 /nfs/dbraw/zinc/79/88/44/562798844.db2.gz HLNCNWNWSSHOOA-HQYKDICXSA-N 1 2 699.650 6.934 1 30 KKEFLO CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000096907314 562799076 /nfs/dbraw/zinc/79/90/76/562799076.db2.gz YHJHYNUNWGIDHV-YALIQIHYSA-N 1 2 588.462 5.859 1 30 KKEFLO CC[C@H](C)C1=CC(C=CC(=O)c2ccc(O)cc2)=CC(=CNCCNc2cc[nH+]c3cc(Cl)ccc23)C1=O ZINC000102974491 562813828 /nfs/dbraw/zinc/81/38/28/562813828.db2.gz YVVZDGCSTIBOMD-OZWLPNQJSA-N 1 2 528.052 6.400 1 30 KKEFLO O=C1C(=O)N(CCCn2cc(COc3ccc(C=NNc4cc[nH+]c5cc(Cl)ccc45)cc3)nn2)c2ccccc21 ZINC000103265218 562822097 /nfs/dbraw/zinc/82/20/97/562822097.db2.gz YYCPYEQRISWYEZ-ATZGPIRCSA-N 1 2 566.021 5.124 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(NC(C)(C)C)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000140374230 562833044 /nfs/dbraw/zinc/83/30/44/562833044.db2.gz IQIXKGNNKIOWHL-UHFFFAOYSA-N 1 2 532.570 6.160 1 30 KKEFLO COC(=O)C(C)=Cc1ccc(Oc2ccccc2NC(Nc2cccc(Cl)c2)=[NH+]Cc2ccccc2)cc1 ZINC000169309611 562854374 /nfs/dbraw/zinc/85/43/74/562854374.db2.gz JMDPRFWHYNVAIL-ZBJSNUHESA-N 1 2 526.036 7.598 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169309753 562854489 /nfs/dbraw/zinc/85/44/89/562854489.db2.gz KTEINXJMIGCHQB-LJAQVGFWSA-N 1 2 576.701 5.655 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2cccc(O)c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310106 562854704 /nfs/dbraw/zinc/85/47/04/562854704.db2.gz WUUXFXIVCKKOQE-NDEPHWFRSA-N 1 2 578.673 5.052 1 30 KKEFLO Cn1c2cc(N3CCC(F)(F)CC3)c(C(=O)NCC(F)(F)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700945 562867829 /nfs/dbraw/zinc/86/78/29/562867829.db2.gz BGULTTRGOUXVSC-UHFFFAOYSA-N 1 2 699.499 7.449 1 30 KKEFLO CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCC(C(F)(F)F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700950 562867839 /nfs/dbraw/zinc/86/78/39/562867839.db2.gz VSXBHRCZACTTTK-UHFFFAOYSA-N 1 2 781.523 8.720 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)Nc3ccc(F)c(Cl)c3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c1Cl ZINC000169701051 562867935 /nfs/dbraw/zinc/86/79/35/562867935.db2.gz JZODZWFFSSQYHS-PMERELPUSA-N 1 2 783.960 8.377 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(C(=O)OCC[NH+]3CCN(C(=O)c4c(Cl)cccc4Cl)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299860990 562893084 /nfs/dbraw/zinc/89/30/84/562893084.db2.gz KHPBQAWYJMLCOO-ANEQYFDYSA-N 1 2 739.869 9.521 1 30 KKEFLO COc1ncc(-c2ccc3nccc(C#CC[NH+]4CCCCC4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000653691259 562906804 /nfs/dbraw/zinc/90/68/04/562906804.db2.gz RUQMDKFNEKYZSA-UHFFFAOYSA-N 1 2 548.615 5.222 1 30 KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)[nH+]c(-c2cc(N)nc(C(C)C)c2)c1 ZINC000085593939 565149989 /nfs/dbraw/zinc/14/99/89/565149989.db2.gz NDZHZLGHLLAKMA-XXVJUQKKSA-N 1 2 654.764 6.063 1 30 biogenic,in-vitro KKEFLO CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(O)c-5c4=O)OC3(C)C)cc(N)[nH+]2)ccn1 ZINC000085594028 565150958 /nfs/dbraw/zinc/15/09/58/565150958.db2.gz FROOKVCBOSIEMF-PQUNRTFBSA-N 1 2 642.753 5.864 1 30 biogenic,in-vitro KKEFLO CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H]3[C@H](O)[C@@H](O)CC[C@H]3[C@H](c3cc[nH+]c(N)c3)C3(c4ccc[nH]4)CCCC3)c2)[C@@H](O)CCCC1 ZINC000085631822 565165186 /nfs/dbraw/zinc/16/51/86/565165186.db2.gz RQZYHQBPLHYNPC-GZAUIXQBSA-N 1 2 698.925 5.923 1 30 biogenic,in-vitro KKEFLO N#Cc1ccc2cc1Oc1cccc(c1)[C@@H](c1cccc(Cl)c1)N1CC[C@H]([NH2+]Cc3cncn3C2)C1=O ZINC000026470208 581100990 /nfs/dbraw/zinc/10/09/90/581100990.db2.gz MVPXMHNFAQUXRM-XTEPFMGCSA-N 1 2 509.997 5.042 1 30 KKEFLO COc1cc2c(cc1O)CC#Cc1[nH+]c(N)cc3c1[C@H]([C@@H]1CC[C@]4(C1)Cc1cc(O)cc(OC)c1-c1ccc5c(c14)O[C@H]2[C@H]5COC(C)=O)[C@@H](Cc1ccccc1)C=C3 ZINC000085568324 291976479 /nfs/dbraw/zinc/97/64/79/291976479.db2.gz DZUAJZHZXSGXGV-HRMJQVBPSA-N 1 2 786.925 8.711 1 30 biogenic,in-vitro KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cc(Cl)ccc2Cl)cc(C#N)c(=O)n1C)c1ccc(C#N)cc1 ZINC000013587357 561720699 /nfs/dbraw/zinc/72/06/99/561720699.db2.gz YBYDQOIAYNOCOH-VWLOTQADSA-N 1 2 504.377 5.142 1 30 KKEFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N(CCN(Cc1c[nH+]cn1C)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000014952277 561746238 /nfs/dbraw/zinc/74/62/38/561746238.db2.gz PLJBZEPECJYWNJ-UHFFFAOYSA-N 1 2 578.742 5.409 1 30 KKEFLO CS(=O)(=O)CCn1c[nH+]c(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1 ZINC000014977477 561752383 /nfs/dbraw/zinc/75/23/83/561752383.db2.gz LTGJVIHVLWWYKD-UHFFFAOYSA-N 1 2 577.867 5.258 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CC[NH+](C)CC5)s4)ccc32)c(Cl)cc1Cl ZINC000023357865 561761751 /nfs/dbraw/zinc/76/17/51/561761751.db2.gz JIHWYZNENLBYIH-UHFFFAOYSA-N 1 2 538.504 6.641 1 30 KKEFLO CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000027081030 561835045 /nfs/dbraw/zinc/83/50/45/561835045.db2.gz DOJHCLMMZBGBQY-MUQYBZNMSA-N 1 2 650.824 5.147 1 30 KKEFLO CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CC(C)C)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)Cc1c[nH+]cn1Cc1ccc(C#N)cc1 ZINC000027081030 561835048 /nfs/dbraw/zinc/83/50/48/561835048.db2.gz DOJHCLMMZBGBQY-MUQYBZNMSA-N 1 2 650.824 5.147 1 30 KKEFLO N#C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026997435 561833517 /nfs/dbraw/zinc/83/35/17/561833517.db2.gz SMBHALUVUUYXQI-JUKUECOXSA-N 1 2 670.770 5.279 1 30 KKEFLO N#C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026997435 561833518 /nfs/dbraw/zinc/83/35/18/561833518.db2.gz SMBHALUVUUYXQI-JUKUECOXSA-N 1 2 670.770 5.279 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027310734 561850606 /nfs/dbraw/zinc/85/06/06/561850606.db2.gz XHIISTKHRQWJJN-RUZDIDTESA-N 1 2 548.828 5.251 1 30 KKEFLO C=CCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cc[nH+]c6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000027994788 561893646 /nfs/dbraw/zinc/89/36/46/561893646.db2.gz QTBUASCHFZLYLO-NQVJXQQZSA-N 1 2 688.616 5.397 1 30 KKEFLO CCCCCC/[NH+]=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC)OCO3 ZINC000028229710 561908866 /nfs/dbraw/zinc/90/88/66/561908866.db2.gz NJVFMSLUUXEVHG-HIMRQCANSA-N 1 2 509.599 5.410 1 30 KKEFLO COC(=O)[C@@H]1C(/C=[NH+]/C2CCCCC2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028229752 561908868 /nfs/dbraw/zinc/90/88/68/561908868.db2.gz ROPTYZMZEUFMFK-GEGAVUNTSA-N 1 2 507.583 5.163 1 30 KKEFLO COC(=O)[C@@H]1C(/C=[NH+]/C2CCCCC2)=Cc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000028229748 561908870 /nfs/dbraw/zinc/90/88/70/561908870.db2.gz ROPTYZMZEUFMFK-QCQCFJTJSA-N 1 2 507.583 5.163 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CCOCC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028337423 561913628 /nfs/dbraw/zinc/91/36/28/561913628.db2.gz GOOQFFQBALUPAI-MUUNZHRXSA-N 1 2 558.564 5.387 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1cccc(C#N)c1 ZINC000028712117 561952692 /nfs/dbraw/zinc/95/26/92/561952692.db2.gz HZWGQKNPLTYBDH-HHHXNRCGSA-N 1 2 542.994 5.099 1 30 KKEFLO CC(=O)c1ccc(Oc2ccc(-c3scc(-c4ccccc4Cl)c3C=C(O)NC(N)=[NH2+])cc2)cc1 ZINC000028826079 561971154 /nfs/dbraw/zinc/97/11/54/561971154.db2.gz MOWOCBABTRBSFW-UHFFFAOYSA-N 1 2 504.011 6.073 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(Cc2cccc(F)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029237547 562009749 /nfs/dbraw/zinc/00/97/49/562009749.db2.gz APOPKKDYMOSAIA-UHFFFAOYSA-N 1 2 625.173 6.826 1 30 KKEFLO N#Cc1ccc(Cn2c[nH+]cc2CN(Cc2ccc(F)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029237959 562009894 /nfs/dbraw/zinc/00/98/94/562009894.db2.gz MDOLNMYVGZJXLJ-UHFFFAOYSA-N 1 2 625.173 6.826 1 30 KKEFLO C[C@@H](O[C@H]1CC[C@@H]([N@H+](C)Cc2nnc[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036330256 562055482 /nfs/dbraw/zinc/05/54/82/562055482.db2.gz DWOYLZPGCVPOFQ-XGXIMLBESA-N 1 2 530.488 6.506 1 30 KKEFLO C[C@@H](O[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036330256 562055484 /nfs/dbraw/zinc/05/54/84/562055484.db2.gz DWOYLZPGCVPOFQ-XGXIMLBESA-N 1 2 530.488 6.506 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000038153080 562067530 /nfs/dbraw/zinc/06/75/30/562067530.db2.gz CUKBELAHMLXBPS-VIZCGCQYSA-N 1 2 520.824 7.785 1 30 KKEFLO Cc1c[nH+]cc(C)c1C[C@H](c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(OCF)c(OC(F)F)c1 ZINC000043242242 562647173 /nfs/dbraw/zinc/64/71/73/562647173.db2.gz IMHVRRDEBBVGII-HXUWFJFHSA-N 1 2 567.448 7.292 1 30 KKEFLO CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)c(OC)c1 ZINC000043335074 562647892 /nfs/dbraw/zinc/64/78/92/562647892.db2.gz KLDSXPHZRNOLBS-UHFFFAOYSA-N 1 2 522.627 6.761 1 30 KKEFLO O=C(N1CCN(c2cccc[nH+]2)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043450437 562648541 /nfs/dbraw/zinc/64/85/41/562648541.db2.gz OGISBQIGSKBRDV-UHFFFAOYSA-N 1 2 559.273 5.104 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1[NH2+][C@H](c2cc(OC)c(OC)c(OC)c2)SC1(C)C ZINC000043470178 562648655 /nfs/dbraw/zinc/64/86/55/562648655.db2.gz BBKZYZQVZPXZIQ-BHYZAODMSA-N 1 2 578.904 8.572 1 30 KKEFLO CCCCCCCCOC(=O)c1ccc(CO[C@H](COCc2ccc(OC)cc2)Cn2cc[nH+]c2)cc1 ZINC000043939031 562651304 /nfs/dbraw/zinc/65/13/04/562651304.db2.gz POACZKAOFZANQC-LJAQVGFWSA-N 1 2 508.659 6.211 1 30 KKEFLO N#CC(CCSC(=S)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000044031974 562651737 /nfs/dbraw/zinc/65/17/37/562651737.db2.gz KCCAXTNRANZZLV-JGCGQSQUSA-N 1 2 582.238 7.965 1 30 KKEFLO COc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N=NC(C)=C(C)NNc1[nH+]nc(-c2ccc(C)cc2)cc1Cc1ccccc1OC ZINC000049639867 562667839 /nfs/dbraw/zinc/66/78/39/562667839.db2.gz LDZSHWMPMQSDPW-ICLFYWGNSA-N 1 2 690.852 8.692 1 30 KKEFLO FC(F)C(F)(F)Oc1cccc([C@@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2CC[NH+]2CCOCC2)c1 ZINC000049746675 562674541 /nfs/dbraw/zinc/67/45/41/562674541.db2.gz LSLXOASKNDLDBJ-VWLOTQADSA-N 1 2 600.531 6.761 1 30 KKEFLO FC(F)C(F)(F)Oc1cccc([C@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2CC[NH+]2CCOCC2)c1 ZINC000049746672 562674551 /nfs/dbraw/zinc/67/45/51/562674551.db2.gz LSLXOASKNDLDBJ-RUZDIDTESA-N 1 2 600.531 6.761 1 30 KKEFLO CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000049762003 562676270 /nfs/dbraw/zinc/67/62/70/562676270.db2.gz AFBHBOYZUUEZAG-XZWHSSHBSA-N 1 2 531.851 8.069 1 30 KKEFLO CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(/C=[NH+]/CCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C3 ZINC000049776346 562679376 /nfs/dbraw/zinc/67/93/76/562679376.db2.gz FKXAXLQDFWXZTE-PWVVZVDOSA-N 1 2 703.837 5.431 1 30 KKEFLO CC(C)(C)CC[C@@]1([NH2+]Cc2csc3ccccc23)c2ccccc2C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049881870 562691222 /nfs/dbraw/zinc/69/12/22/562691222.db2.gz KQDZEPDLUKVLFZ-MGBGTMOVSA-N 1 2 678.858 6.149 1 30 KKEFLO C[N@@H+]1CCC[C@H]1CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053226371 562696565 /nfs/dbraw/zinc/69/65/65/562696565.db2.gz LZGZYNBMJGXMSV-NRFANRHFSA-N 1 2 539.567 5.400 1 30 KKEFLO C[N@H+]1CCC[C@H]1CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053226371 562696566 /nfs/dbraw/zinc/69/65/66/562696566.db2.gz LZGZYNBMJGXMSV-NRFANRHFSA-N 1 2 539.567 5.400 1 30 KKEFLO CC[NH+](CC)[C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294172 562697224 /nfs/dbraw/zinc/69/72/24/562697224.db2.gz ZFZOJMJOOSZWMT-LJQANCHMSA-N 1 2 555.610 6.036 1 30 KKEFLO CC[NH+]1CCN(c2cccc(-c3cc(-c4ccc(F)cc4O)nc(NC(=O)c4ccco4)c3C#N)c2)CC1 ZINC000053312793 562697612 /nfs/dbraw/zinc/69/76/12/562697612.db2.gz JFEAGZFSEPIRLF-UHFFFAOYSA-N 1 2 511.557 5.119 1 30 KKEFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(S(=O)(=O)/N=C/N(C)C)cc2)CC[N@@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000058482305 562698030 /nfs/dbraw/zinc/69/80/30/562698030.db2.gz LMXWOFBYQJEMSP-SBWWSWLISA-N 1 2 706.837 5.235 1 30 KKEFLO COc1ccc2c(c1)c1c(n2C(=O)c2ccc(S(=O)(=O)/N=C/N(C)C)cc2)CC[N@H+](CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 ZINC000058482305 562698031 /nfs/dbraw/zinc/69/80/31/562698031.db2.gz LMXWOFBYQJEMSP-SBWWSWLISA-N 1 2 706.837 5.235 1 30 KKEFLO O=C(/C=C/c1cccnc1)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4cccnc4)ccc3O)CC2)cc1 ZINC000066098867 562710983 /nfs/dbraw/zinc/71/09/83/562710983.db2.gz REAPIBQFQMGVIZ-BYDSPXIWSA-N 1 2 530.628 5.297 1 30 KKEFLO CCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072108830 562721507 /nfs/dbraw/zinc/72/15/07/562721507.db2.gz PBVKMJNOCOHQBG-PJJLUWSFSA-N 1 2 545.481 7.600 1 30 KKEFLO CCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072108831 562721531 /nfs/dbraw/zinc/72/15/31/562721531.db2.gz WVVZAJSPOIOSJP-JWBCNFBXSA-N 1 2 668.680 8.916 1 30 KKEFLO CCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072109177 562721574 /nfs/dbraw/zinc/72/15/74/562721574.db2.gz DLZDAGJQQSQYPT-RIHQVDFKSA-N 1 2 570.491 6.185 1 30 KKEFLO CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072110047 562721695 /nfs/dbraw/zinc/72/16/95/562721695.db2.gz YHJHYNUNWGIDHV-BMQZPMECSA-N 1 2 588.462 5.859 1 30 KKEFLO O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C[NH2+]C/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000072176327 562731594 /nfs/dbraw/zinc/73/15/94/562731594.db2.gz LSOYBRPNNWWWGB-XUIWWLCJSA-N 1 2 645.391 8.009 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nccs2)cc1 ZINC000095538364 562754730 /nfs/dbraw/zinc/75/47/30/562754730.db2.gz VYZJXKKUIBNHGT-MXVPUGLGSA-N 1 2 822.045 6.916 1 30 KKEFLO CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2nccs2)cc1 ZINC000095538364 562754731 /nfs/dbraw/zinc/75/47/31/562754731.db2.gz VYZJXKKUIBNHGT-MXVPUGLGSA-N 1 2 822.045 6.916 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000095553416 562760994 /nfs/dbraw/zinc/76/09/94/562760994.db2.gz RGWQEBZKDFTKJQ-MGBGTMOVSA-N 1 2 699.833 6.962 1 30 KKEFLO COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3c[nH+]cn3C)C[C@H]2Cc2ccc(-c3cccnc3)cc2)cc1 ZINC000095556268 562761711 /nfs/dbraw/zinc/76/17/11/562761711.db2.gz LZAANKQJHXJWQU-JGCGQSQUSA-N 1 2 670.795 6.445 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000095559558 562762766 /nfs/dbraw/zinc/76/27/66/562762766.db2.gz UYJXMQDQMVVXSA-UXMGRTHOSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000095559558 562762767 /nfs/dbraw/zinc/76/27/67/562762767.db2.gz UYJXMQDQMVVXSA-UXMGRTHOSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(C1=C(OC2CCCCC2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000095572206 562769333 /nfs/dbraw/zinc/76/93/33/562769333.db2.gz KDNBRPQIUJERHA-AREMUKBSSA-N 1 2 548.481 6.106 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(F)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095573823 562769818 /nfs/dbraw/zinc/76/98/18/562769818.db2.gz LZECMGFZAYLLQF-HHHXNRCGSA-N 1 2 559.439 6.007 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(Br)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC000095577550 562771026 /nfs/dbraw/zinc/77/10/26/562771026.db2.gz WOBXABBIVDFJLX-HHHXNRCGSA-N 1 2 620.345 6.631 1 30 KKEFLO CCCC[NH+](CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc5c(c4O[C@]123)C=CC(C)(C)O5 ZINC000095586592 562774051 /nfs/dbraw/zinc/77/40/51/562774051.db2.gz FMAOGDLIPBOZDJ-XXPCCQKESA-N 1 2 575.746 6.289 1 30 KKEFLO COc1cc(/C=C2\CC/C(=C\c3ccc(OCCn4cc[nH+]c4)c(OC)c3)C2=O)ccc1OCCn1ccnc1 ZINC000095595045 562776617 /nfs/dbraw/zinc/77/66/17/562776617.db2.gz UXKPPKNXTMTAOR-RPCRKUJJSA-N 1 2 540.620 5.085 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000096269747 562792999 /nfs/dbraw/zinc/79/29/99/562792999.db2.gz UFZCTLXXZCRXSR-CALHOEHWSA-N 1 2 632.975 6.857 1 30 KKEFLO O=C([C@H]1C[C@H]2CCC[N@H+]2[C@]12C(=O)Nc1cc(Cl)ccc12)N1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1 ZINC000096269747 562793000 /nfs/dbraw/zinc/79/30/00/562793000.db2.gz UFZCTLXXZCRXSR-CALHOEHWSA-N 1 2 632.975 6.857 1 30 KKEFLO C[N@@H+]1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[C@]2(C1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272732 562794163 /nfs/dbraw/zinc/79/41/63/562794163.db2.gz PMAXMGMGZASZPB-YCAGTQFJSA-N 1 2 632.698 5.805 1 30 KKEFLO C[N@H+]1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[C@]2(C1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272732 562794164 /nfs/dbraw/zinc/79/41/64/562794164.db2.gz PMAXMGMGZASZPB-YCAGTQFJSA-N 1 2 632.698 5.805 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272740 562794205 /nfs/dbraw/zinc/79/42/05/562794205.db2.gz CMPIVYMGVWTOFG-IWVNHVMQSA-N 1 2 578.684 6.266 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272740 562794206 /nfs/dbraw/zinc/79/42/06/562794206.db2.gz CMPIVYMGVWTOFG-IWVNHVMQSA-N 1 2 578.684 6.266 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[C@]2(C1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272738 562794220 /nfs/dbraw/zinc/79/42/20/562794220.db2.gz QJBBEFDXLWDGBH-IWVNHVMQSA-N 1 2 632.698 5.805 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[C@]2(C1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272738 562794221 /nfs/dbraw/zinc/79/42/21/562794221.db2.gz QJBBEFDXLWDGBH-IWVNHVMQSA-N 1 2 632.698 5.805 1 30 KKEFLO COc1cc(-c2cc(NC(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000103228601 562817958 /nfs/dbraw/zinc/81/79/58/562817958.db2.gz RZPCHQGQOHLKPP-FADJLKOXSA-N 1 2 592.693 5.631 1 30 KKEFLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(Nc5ccccc5)nc4)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000143967378 562835533 /nfs/dbraw/zinc/83/55/33/562835533.db2.gz DXELIKRBLYYPBN-UHFFFAOYSA-N 1 2 552.560 6.694 1 30 KKEFLO COCCc1[nH]cc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH+]1 ZINC000150199336 562842939 /nfs/dbraw/zinc/84/29/39/562842939.db2.gz HEHVBNLROBWZHQ-UHFFFAOYSA-N 1 2 500.618 5.814 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000169291445 562851916 /nfs/dbraw/zinc/85/19/16/562851916.db2.gz UYJXMQDQMVVXSA-ZGAWMTGXSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCC[N@@H+]1Cc1ccccc1)NO ZINC000169291445 562851917 /nfs/dbraw/zinc/85/19/17/562851917.db2.gz UYJXMQDQMVVXSA-ZGAWMTGXSA-N 1 2 674.890 7.999 1 30 KKEFLO O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCC[N@H+]1Cc1ccccc1)NO ZINC000169291906 562851968 /nfs/dbraw/zinc/85/19/68/562851968.db2.gz JPFZLPCINWHUKQ-JUKUECOXSA-N 1 2 646.836 7.219 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169310091 562854650 /nfs/dbraw/zinc/85/46/50/562854650.db2.gz FJFDUSDJEZLOET-MUUNZHRXSA-N 1 2 578.673 5.052 1 30 KKEFLO COc1ccc(-c2nc3cc(-c4[nH]c5ccc(N6CCN(c7ccccc7C#N)CC6)cc5[nH+]4)ccc3[nH]2)cc1OC ZINC000169352831 562863266 /nfs/dbraw/zinc/86/32/66/562863266.db2.gz URYZXCZEVVHLFE-UHFFFAOYSA-N 1 2 555.642 5.989 1 30 KKEFLO Cn1c2cc(N3CCC(F)(F)C3)c(C(=O)NCC(F)(F)C(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169700920 562867784 /nfs/dbraw/zinc/86/77/84/562867784.db2.gz XMRAWNGXDAEMKL-UHFFFAOYSA-N 1 2 685.472 7.059 1 30 KKEFLO S=c1n(C[NH+]2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccco1 ZINC000299824595 562883316 /nfs/dbraw/zinc/88/33/16/562883316.db2.gz BDYLOGCFELETJN-STBIYBPSSA-N 1 2 541.508 6.974 1 30 KKEFLO N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)[N@H+]2CCC[C@H]21 ZINC000299825143 562883479 /nfs/dbraw/zinc/88/34/79/562883479.db2.gz WUGOSUDUKWOXIJ-OOGBJDGJSA-N 1 2 704.834 8.417 1 30 KKEFLO N#C[C@@]1(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@]2(c3ccccc3N(Cc3ccccc3)C2=O)[N@@H+]2CCC[C@H]21 ZINC000299825143 562883480 /nfs/dbraw/zinc/88/34/80/562883480.db2.gz WUGOSUDUKWOXIJ-OOGBJDGJSA-N 1 2 704.834 8.417 1 30 KKEFLO CC[C@@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc21 ZINC000299831609 562885687 /nfs/dbraw/zinc/88/56/87/562885687.db2.gz FBXKBOHRDCVIOB-QJWGWKRISA-N 1 2 604.747 8.006 1 30 KKEFLO CC[C@H](C)c1cc([C@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CCC3)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299839881 562888321 /nfs/dbraw/zinc/88/83/21/562888321.db2.gz ZTQOCSXNGUDPBX-YVGXBJCXSA-N 1 2 622.718 6.997 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(C(=O)OCC[NH+]3CCOCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299864931 562894259 /nfs/dbraw/zinc/89/42/59/562894259.db2.gz SEJHUAYBDGFSEV-BYRIPPSCSA-N 1 2 567.855 7.089 1 30 KKEFLO CCCCCCCCCCOC(=O)CCCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000299870951 562895608 /nfs/dbraw/zinc/89/56/08/562895608.db2.gz XGSBSAFAHWOIAT-UHFFFAOYSA-N 1 2 742.387 7.719 1 30 KKEFLO Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5[C@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)c[nH+]1 ZINC000473084214 562896872 /nfs/dbraw/zinc/89/68/72/562896872.db2.gz QZKUUTWEUPOQOZ-AVRDEDQJSA-N 1 2 567.465 6.270 1 30 KKEFLO Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNN1CCN(C)CC1)C(=O)C(=O)C3C(C)C)c(C=NN1CC[NH+](C)CC1)c(O)c(O)c2C(C)C ZINC000473243996 562904833 /nfs/dbraw/zinc/90/48/33/562904833.db2.gz HLYFXTVNUYKAOJ-RWFFLGESSA-N 1 2 712.892 5.475 1 30 KKEFLO CCOC(=O)c1sc(N(Cc2c[nH+]cn2Cc2ccc([N+](=O)[O-])cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693412 562906878 /nfs/dbraw/zinc/90/68/78/562906878.db2.gz DFXRNQLHOUWLNW-UHFFFAOYSA-N 1 2 622.103 7.212 1 30 KKEFLO CCOC(=O)c1sc(N(Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693476 562906885 /nfs/dbraw/zinc/90/68/85/562906885.db2.gz ZABYRPJDECIZCI-UHFFFAOYSA-N 1 2 602.116 7.175 1 30 KKEFLO CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCC[C@H](c4cc[nH+]c(N)c4)C4(c5ccc[nH]5)CCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631886 565165151 /nfs/dbraw/zinc/16/51/51/565165151.db2.gz FOAQWNHPNYOBMA-HQYNXZKHSA-N 1 2 636.857 7.149 1 30 biogenic,in-vitro KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)[nH+]c(-c2cc(N)nc(C(C)C)c2)c1 ZINC000150345675 565201472 /nfs/dbraw/zinc/20/14/72/565201472.db2.gz NDZHZLGHLLAKMA-ZRWMQDEVSA-N 1 2 654.764 6.063 1 30 biogenic,in-vitro KKEFLO COc1c(O)c([C@@H]2C#C[C@H]3CN(CC[NH2+]3)c3[nH]c(C4(C)CCCC4)cc3-c3cccc(c3)C2)c2oc(-c3ccc(O)cc3)cc(O)c-2c1=O ZINC000150350038 565202533 /nfs/dbraw/zinc/20/25/33/565202533.db2.gz QRDWFYMWHYJNTJ-SXOMAYOGSA-N 1 2 656.759 6.320 1 30 biogenic,in-vitro KKEFLO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@@H]2C#C[C@H]3CN(CC[NH2+]3)c3[nH]c(C4(C)CCCC4)cc3-c3cccc(c3)C2)c1=O ZINC000150350038 565202535 /nfs/dbraw/zinc/20/25/35/565202535.db2.gz QRDWFYMWHYJNTJ-SXOMAYOGSA-N 1 2 656.759 6.320 1 30 biogenic,in-vitro KKEFLO N#Cc1ccc2cc1Oc1cccc(c1)[C@H](c1cccc(Cl)c1)N1CC[C@H]([NH2+]Cc3cncn3C2)C1=O ZINC000026470201 581101001 /nfs/dbraw/zinc/10/10/01/581101001.db2.gz MVPXMHNFAQUXRM-XCZPVHLTSA-N 1 2 509.997 5.042 1 30 KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)[nH]c(=O)c2C#N)cc1 ZINC000013219400 561711559 /nfs/dbraw/zinc/71/15/59/561711559.db2.gz RXRFMMVIMXXEFU-UHFFFAOYSA-N 1 2 512.491 6.900 1 30 KKEFLO N#Cc1c(N)nc(-c2ccc(Nc3cc[nH+]c4cc(C(F)(F)F)ccc34)cc2)cc1-c1ccc(Cl)cc1 ZINC000013223316 561711573 /nfs/dbraw/zinc/71/15/73/561711573.db2.gz ZKNPLNOOMLEKKX-UHFFFAOYSA-N 1 2 515.926 7.833 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)cc1NS(=O)(=O)c1cccc2ccccc21)c1ccc(C#N)cc1 ZINC000014952441 561746404 /nfs/dbraw/zinc/74/64/04/561746404.db2.gz AKKQWZHJOANNGA-PMERELPUSA-N 1 2 533.613 5.424 1 30 KKEFLO COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(C[NH+]5CCN(C)CC5)o4)c(OC)cc32)c(Cl)cc1Cl ZINC000023358252 561761948 /nfs/dbraw/zinc/76/19/48/561761948.db2.gz OUFLVWPNIHUMMF-UHFFFAOYSA-N 1 2 552.462 6.181 1 30 KKEFLO C=C1[NH+]=C(c2ccccc2)C(C(=O)OC[C@@H](OC)c2ccccc2)[C@H](C#Cc2ccccc2)C1C(=O)OCC ZINC000026576727 561800606 /nfs/dbraw/zinc/80/06/06/561800606.db2.gz CKUOMENNSDBZLX-JPLOQKFPSA-N 1 2 521.613 6.277 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2cccc(Cl)c2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027310730 561850602 /nfs/dbraw/zinc/85/06/02/561850602.db2.gz XHIISTKHRQWJJN-VWLOTQADSA-N 1 2 548.828 5.251 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2ccccc2Cl)c1 ZINC000027317450 561851951 /nfs/dbraw/zinc/85/19/51/561851951.db2.gz ZAUBGERWKXAZHI-HKBQPEDESA-N 1 2 630.026 7.054 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(Br)c1 ZINC000027319368 561852310 /nfs/dbraw/zinc/85/23/10/561852310.db2.gz PTNBPPZVBINDKZ-RUZDIDTESA-N 1 2 598.379 5.496 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027862009 561887098 /nfs/dbraw/zinc/88/70/98/561887098.db2.gz DNRNTTDVQRLAPY-DPWLMQNNSA-N 1 2 722.315 7.658 1 30 KKEFLO CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C[N@H+]2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027862009 561887099 /nfs/dbraw/zinc/88/70/99/561887099.db2.gz DNRNTTDVQRLAPY-DPWLMQNNSA-N 1 2 722.315 7.658 1 30 KKEFLO CCCCCC/[NH+]=C/C1=Cc2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC)OCO3 ZINC000028229714 561908864 /nfs/dbraw/zinc/90/88/64/561908864.db2.gz NJVFMSLUUXEVHG-QBKNECBYSA-N 1 2 509.599 5.410 1 30 KKEFLO COC(=O)c1ccc(CO[C@@H](c2c[nH+]cn2C)c2ccc(C#N)c(-c3ccccc3C(F)(F)F)c2)nc1 ZINC000028336710 561913482 /nfs/dbraw/zinc/91/34/82/561913482.db2.gz DZXNOBGIMAGUSX-RUZDIDTESA-N 1 2 506.484 5.465 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CCC[C@@H]2CO)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028337457 561913599 /nfs/dbraw/zinc/91/35/99/561913599.db2.gz MPFBNFPGALIGPP-FUFSCUOVSA-N 1 2 572.591 5.512 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(N2CC[C@@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028348061 561915168 /nfs/dbraw/zinc/91/51/68/561915168.db2.gz CLEXPFRKZBZIKK-QDPGVEIFSA-N 1 2 558.564 5.121 1 30 KKEFLO Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)c(NC[C@@H]2CCOC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353262 561915967 /nfs/dbraw/zinc/91/59/67/561915967.db2.gz ZYGWLFYJQXFHHX-AFJIDDCJSA-N 1 2 572.591 5.999 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(NC[C@@H]2CCOC2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000028353256 561915977 /nfs/dbraw/zinc/91/59/77/561915977.db2.gz ZYGWLFYJQXFHHX-WRONEBCDSA-N 1 2 572.591 5.999 1 30 KKEFLO CO/N=C(/C)C[N@@H+]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000028570719 561939011 /nfs/dbraw/zinc/93/90/11/561939011.db2.gz ZYXOHIFOHNDXGD-VOKJVERTSA-N 1 2 540.508 5.597 1 30 KKEFLO CO/N=C(/C)C[N@H+]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000028570719 561939013 /nfs/dbraw/zinc/93/90/13/561939013.db2.gz ZYXOHIFOHNDXGD-VOKJVERTSA-N 1 2 540.508 5.597 1 30 KKEFLO COc1cc2c(cc1OC)[C@H](COC(=O)[C@H]1Cc3ccccc3C[N@@H+]1Cc1ccccc1)N1[C@@H](C#N)[C@@H]3Cc4cc(OC)c(OC)cc4[C@H]([C@@H]1C2)N3C ZINC000028569738 561938300 /nfs/dbraw/zinc/93/83/00/561938300.db2.gz BAGRRFKRGKKYNS-CBACHQCFSA-N 1 2 714.863 5.663 1 30 KKEFLO COc1cc2c(cc1OC)[C@H](COC(=O)[C@H]1Cc3ccccc3C[N@H+]1Cc1ccccc1)N1[C@@H](C#N)[C@@H]3Cc4cc(OC)c(OC)cc4[C@H]([C@@H]1C2)N3C ZINC000028569738 561938302 /nfs/dbraw/zinc/93/83/02/561938302.db2.gz BAGRRFKRGKKYNS-CBACHQCFSA-N 1 2 714.863 5.663 1 30 KKEFLO CCC[NH+]1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(=O)[nH]3)c2O)CC1 ZINC000028821592 561966451 /nfs/dbraw/zinc/96/64/51/561966451.db2.gz IJBUJUGLLLXHLL-UHFFFAOYSA-N 1 2 621.487 7.104 1 30 KKEFLO C[NH+](C)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000029464773 562023860 /nfs/dbraw/zinc/02/38/60/562023860.db2.gz GVUHBRBKGLCYFC-PMERELPUSA-N 1 2 702.903 6.135 1 30 KKEFLO C[C@@H]1C(=O)Nc2cccc3ccc(cc32)Oc2cc(ccc2C#N)Cn2c[nH+]cc2CN1Cc1ccccc1 ZINC000029481809 562027462 /nfs/dbraw/zinc/02/74/62/562027462.db2.gz USLBJXXUUBLNQX-JOCHJYFZSA-N 1 2 513.601 6.091 1 30 KKEFLO CSc1ccc(CN2C(=O)N(CCCn3cc[nH+]c3)C(=O)[C@@]2(C)c2cccc3ccccc32)cc1C#N ZINC000034790980 562040568 /nfs/dbraw/zinc/04/05/68/562040568.db2.gz OMQYMCBJBYJVGL-GDLZYMKVSA-N 1 2 509.635 5.400 1 30 KKEFLO COc1cc2c(cc1OCCCO)[nH+]cn2-c1cc(OCc2ccccc2C(F)(F)F)c(C#N)s1 ZINC000035873745 562045598 /nfs/dbraw/zinc/04/55/98/562045598.db2.gz LXHBSNWDSKZOSV-UHFFFAOYSA-N 1 2 503.502 5.326 1 30 KKEFLO Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)c(N2CC[C@H](O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1 ZINC000036330506 562055947 /nfs/dbraw/zinc/05/59/47/562055947.db2.gz CLEXPFRKZBZIKK-FIPFOOKPSA-N 1 2 558.564 5.121 1 30 KKEFLO C[C@@H](O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000036351634 562058830 /nfs/dbraw/zinc/05/88/30/562058830.db2.gz TVYAGYAFMIHBHE-HXUWFJFHSA-N 1 2 549.502 5.658 1 30 KKEFLO C[C@@H](O)N1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CC[N@@H+]2CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000036351634 562058832 /nfs/dbraw/zinc/05/88/32/562058832.db2.gz TVYAGYAFMIHBHE-HXUWFJFHSA-N 1 2 549.502 5.658 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H](c2ccc(F)c(Br)c2)[NH2+]1 ZINC000038153120 562067565 /nfs/dbraw/zinc/06/75/65/562067565.db2.gz DFFAFLRZQUCJPN-IXCJQBJRSA-N 1 2 557.658 8.670 1 30 KKEFLO CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043153587 562646488 /nfs/dbraw/zinc/64/64/88/562646488.db2.gz VGCQRSCCCHQFKI-JDXGNMNLSA-N 1 2 517.824 7.726 1 30 KKEFLO CCCCCCCCC/C=C/CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043569772 562649890 /nfs/dbraw/zinc/64/98/90/562649890.db2.gz WIRMZKBBSRJINY-STBSJJPQSA-N 1 2 515.808 7.502 1 30 KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)[NH2+]1 ZINC000043574691 562649940 /nfs/dbraw/zinc/64/99/40/562649940.db2.gz WIRMZKBBSRJINY-WXSMRSFVSA-N 1 2 515.808 7.502 1 30 KKEFLO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)[NH2+]CCCCC/C=C\c1ccc3ccnc(c3c1)O2)C(=O)[N-]S(=O)(=O)C1CC1 ZINC000049649968 562667951 /nfs/dbraw/zinc/66/79/51/562667951.db2.gz YMCXXRVSTGFVJZ-VLKTZLOCSA-N 1 2 661.869 5.259 1 30 KKEFLO C=C(C)[C@@H]1CC[C@]2(C(=O)Oc3cc[nH+]cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049708282 562670879 /nfs/dbraw/zinc/67/08/79/562670879.db2.gz XJSBXSNURZEFAV-KNGBOHGISA-N 1 2 533.797 8.006 1 30 KKEFLO CCCCCCCCC/C=C\CCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(OC)c(OC)c2)[NH2+]1 ZINC000049762232 562676384 /nfs/dbraw/zinc/67/63/84/562676384.db2.gz HGPSVGGKDMVPFK-HYSCNZEQSA-N 1 2 518.808 7.561 1 30 KKEFLO C[N@@H+]1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000049767230 562677475 /nfs/dbraw/zinc/67/74/75/562677475.db2.gz SIZVEPLUDQCZMH-GOLFVJMDSA-N 1 2 576.549 5.898 1 30 KKEFLO C[N@H+]1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000049767230 562677476 /nfs/dbraw/zinc/67/74/76/562677476.db2.gz SIZVEPLUDQCZMH-GOLFVJMDSA-N 1 2 576.549 5.898 1 30 KKEFLO Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1cccc(CS(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000049774650 562678653 /nfs/dbraw/zinc/67/86/53/562678653.db2.gz ZQKCTEOSJBBWBB-BQYQJAHWSA-N 1 2 540.693 5.043 1 30 KKEFLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1N ZINC000049777162 562679732 /nfs/dbraw/zinc/67/97/32/562679732.db2.gz BCLLZPYAYAMHNT-FSEITFBQSA-N 1 2 723.919 5.349 1 30 KKEFLO CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1N ZINC000049777162 562679733 /nfs/dbraw/zinc/67/97/33/562679733.db2.gz BCLLZPYAYAMHNT-FSEITFBQSA-N 1 2 723.919 5.349 1 30 KKEFLO C[C@@H](O[C@H]1CN2C(=O)[C@H]([NH2+]Cc3cc[nH]n3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049777772 562680514 /nfs/dbraw/zinc/68/05/14/562680514.db2.gz SPOVULTVWLBFKZ-QRGCJQTNSA-N 1 2 570.509 5.589 1 30 KKEFLO O=C1c2cccc3cccc(c23)[C@]12[N@H+]1CSC[C@H]1[C@H](c1ccc(Cl)cc1)[C@]21CCC/C(=C\c2ccc(Cl)cc2)C1=O ZINC000049881689 562691031 /nfs/dbraw/zinc/69/10/31/562691031.db2.gz UNQRFQQQBGCMES-OMEZVWISSA-N 1 2 596.579 8.534 1 30 KKEFLO O=C1c2cccc3cccc(c23)[C@]12[N@@H+]1CSC[C@H]1[C@H](c1ccc(Cl)cc1)[C@]21CCC/C(=C\c2ccc(Cl)cc2)C1=O ZINC000049881689 562691032 /nfs/dbraw/zinc/69/10/32/562691032.db2.gz UNQRFQQQBGCMES-OMEZVWISSA-N 1 2 596.579 8.534 1 30 KKEFLO CC(C)[NH2+][C@H](C)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053242643 562696745 /nfs/dbraw/zinc/69/67/45/562696745.db2.gz LBZXIMVHSCCDBC-GOSISDBHSA-N 1 2 541.583 5.692 1 30 KKEFLO CC[NH2+][C@@H](CC)CC(=O)Nc1cccc(-c2cc(-c3ccc(F)cc3O)nc(NC(=O)c3ccco3)c2C#N)c1 ZINC000053294176 562697208 /nfs/dbraw/zinc/69/72/08/562697208.db2.gz LQGKAOHALGAYHK-FQEVSTJZSA-N 1 2 541.583 5.694 1 30 KKEFLO CCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(cc(F)c(N4CC[NH+](C)CC4)c3OC[C@@H]2C)c1=O ZINC000064573357 562708698 /nfs/dbraw/zinc/70/86/98/562708698.db2.gz WQSCQDCXDGFHCB-DEOSSOPVSA-N 1 2 601.760 6.204 1 30 KKEFLO O=C(/C=C/c1ccccc1)c1ccc(N2CC[NH+](Cc3cc(C(=O)/C=C/c4ccccc4)ccc3O)CC2)cc1 ZINC000066098198 562710923 /nfs/dbraw/zinc/71/09/23/562710923.db2.gz MQDKXHJLHZEKHK-GDAWTGGTSA-N 1 2 528.652 6.507 1 30 KKEFLO CCC(=O)N(CCCCCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C1CC[NH+](CCc2ccccc2)CC1 ZINC000066114234 562712355 /nfs/dbraw/zinc/71/23/55/562712355.db2.gz LRSRFLDNYARSAZ-UHFFFAOYSA-N 1 2 601.833 6.102 1 30 KKEFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)CC1 ZINC000071282153 562716748 /nfs/dbraw/zinc/71/67/48/562716748.db2.gz MLDMZRRMABLBQC-FITHBNAOSA-N 1 2 619.832 5.405 1 30 KKEFLO Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)CC1 ZINC000071282153 562716749 /nfs/dbraw/zinc/71/67/49/562716749.db2.gz MLDMZRRMABLBQC-FITHBNAOSA-N 1 2 619.832 5.405 1 30 KKEFLO C[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107065 562721159 /nfs/dbraw/zinc/72/11/59/562721159.db2.gz SOALKBCBCUSNOF-KONQIYKDSA-N 1 2 657.569 5.908 1 30 KKEFLO CC(C)(C)OC(=O)NCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107064 562721198 /nfs/dbraw/zinc/72/11/98/562721198.db2.gz VMRKSCNZVJNKMN-SMTCOIIISA-N 1 2 643.542 5.520 1 30 KKEFLO CC(C)(C)OC(=O)NC1(C(=O)O/N=C2\c3ccccc3-c3c2c(N2CCN(c4cccc[nH+]4)CC2)nc2ccc(Br)cc32)CCCC1 ZINC000072107272 562721229 /nfs/dbraw/zinc/72/12/29/562721229.db2.gz MZCIWODUKIDSMF-OMNSAQKUSA-N 1 2 697.634 6.832 1 30 KKEFLO CCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072107620 562721330 /nfs/dbraw/zinc/72/13/30/562721330.db2.gz CGKFIZPDVHPPDX-WUZYOQQESA-N 1 2 584.518 6.575 1 30 KKEFLO CCCCCCCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1cc[nH+]c1)nc1ccc(Br)cc21 ZINC000072109370 562721626 /nfs/dbraw/zinc/72/16/26/562721626.db2.gz LHYFRMJXPCQWQP-UMSFTDKQSA-N 1 2 602.617 9.671 1 30 KKEFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000072110069 562721730 /nfs/dbraw/zinc/72/17/30/562721730.db2.gz PWHXAPGBVPBRPF-MUWWIFJBSA-N 1 2 733.667 7.131 1 30 KKEFLO CCNC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2C#N)CC1 ZINC000072181367 562732705 /nfs/dbraw/zinc/73/27/05/562732705.db2.gz GHQGFMSDYLRDPI-YTTGMZPUSA-N 1 2 543.671 5.477 1 30 KKEFLO COc1ccc(-c2cc(-c3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)[nH]c(=O)c2C#N)c2ccccc12 ZINC000073296774 562737746 /nfs/dbraw/zinc/73/77/46/562737746.db2.gz HUSMBRHIKDYFGB-UHFFFAOYSA-N 1 2 562.551 8.053 1 30 KKEFLO C=CCNc1nc(NCc2ccc(C(=O)NC3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2[nH+]1 ZINC000084618524 562745136 /nfs/dbraw/zinc/74/51/36/562745136.db2.gz XYZBMCXXEFHZGH-UHFFFAOYSA-N 1 2 552.654 5.322 1 30 KKEFLO O=C(C(=Cc1ccc(F)cc1F)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084652762 562746636 /nfs/dbraw/zinc/74/66/36/562746636.db2.gz BHYUQUGPMXPUCF-ANMAPYRRSA-N 1 2 574.414 8.569 1 30 KKEFLO O=C(C(=Cc1ccc(F)cc1)Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccc(Cl)cc1 ZINC000084725725 562751282 /nfs/dbraw/zinc/75/12/82/562751282.db2.gz FNAJWRDVPCSRRJ-ZYVZALAZSA-N 1 2 556.424 8.430 1 30 KKEFLO COc1ccc(-n2n[o+]c([O-])c2C=Nn2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(C[NH+]3CCCCC3)c2=S)cc1 ZINC000084726980 562751378 /nfs/dbraw/zinc/75/13/78/562751378.db2.gz WCYFBRMMZZFYOB-QFIPXVFZSA-O 1 2 576.747 5.069 1 30 KKEFLO CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCC(N)=[NH2+])C(=O)N(C)c1ccc(C#C/C=C/c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000095543574 562757381 /nfs/dbraw/zinc/75/73/81/562757381.db2.gz VFHCAIBAFUOGIT-JWHORHSNSA-N 1 2 793.922 5.641 1 30 KKEFLO Cn1c[nH+]cc1C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@@H]2c2c[nH]c3ccccc32)cc1 ZINC000095570698 562768409 /nfs/dbraw/zinc/76/84/09/562768409.db2.gz PDEJBMUXYHBVBV-MGBGTMOVSA-N 1 2 526.640 7.610 3 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2cccc(Br)c2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095572856 562769509 /nfs/dbraw/zinc/76/95/09/562769509.db2.gz FNKZHZBNIPGIHZ-MHZLTWQESA-N 1 2 620.345 6.631 1 30 KKEFLO O=C(c1ccccc1)C1C(=Nc2ccc(OC(F)(F)F)cc2)C(=O)N(CCCn2cc[nH+]c2)[C@H]1c1ccc(Br)cc1 ZINC000095573307 562769634 /nfs/dbraw/zinc/76/96/34/562769634.db2.gz STFLGQLEVBUXEK-MHZLTWQESA-N 1 2 625.445 6.767 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CC[NH2+]CC1 ZINC000095583442 562772915 /nfs/dbraw/zinc/77/29/15/562772915.db2.gz BZJHTNQYWFLQBO-UHFFFAOYSA-N 1 2 541.058 5.049 1 30 KKEFLO N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1C[NH+]1CCC(F)(F)CC1 ZINC000095583794 562773078 /nfs/dbraw/zinc/77/30/78/562773078.db2.gz FWVYMVYAWQQZCO-UHFFFAOYSA-N 1 2 525.002 5.492 1 30 KKEFLO COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCCn4cc[nH+]c4)c(OC)c3)C2=O)ccc1OCCCCn1cc[nH+]c1 ZINC000095598288 562777387 /nfs/dbraw/zinc/77/73/87/562777387.db2.gz WCNQELMFWPMYAZ-VFIVCBTMSA-N 1 2 596.728 6.645 1 30 KKEFLO COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCCn4cc[nH+]c4)c(OC)c3)C2=O)ccc1OCCCCn1ccnc1 ZINC000095598288 562777388 /nfs/dbraw/zinc/77/73/88/562777388.db2.gz WCNQELMFWPMYAZ-VFIVCBTMSA-N 1 2 596.728 6.645 1 30 KKEFLO Oc1cccc2c3cc[nH+]c([C@@H]4[C@@H]5O[C@@]56CC/C=C\CCCC[N@H+]5CC[C@@H]4[C@@]4(C5)CC/C=C\CCCC[NH2+][C@@H]64)c3[nH]c21 ZINC000102167504 562812823 /nfs/dbraw/zinc/81/28/23/562812823.db2.gz QKBZTZVPMNKKGN-QFQJZDFCSA-N 1 2 566.790 6.964 1 30 KKEFLO O=C(C[NH2+][C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1)CC(F)(F)F ZINC000115425224 562828883 /nfs/dbraw/zinc/82/88/83/562828883.db2.gz RBBUDHKIYUMXDH-QFIPXVFZSA-N 1 2 518.860 6.490 1 30 KKEFLO CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1cc[nH+]c1 ZINC000169309762 562854480 /nfs/dbraw/zinc/85/44/80/562854480.db2.gz XLLASIUDZULXQN-NDEPHWFRSA-N 1 2 597.119 6.000 1 30 KKEFLO CC(=O)Nc1cccc(C2CC[NH+](Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3C#N)CC2)c1 ZINC000169321693 562856743 /nfs/dbraw/zinc/85/67/43/562856743.db2.gz GDODEEQNDSBFEM-UHFFFAOYSA-N 1 2 571.656 6.605 1 30 KKEFLO CC(C)(F)C(=O)NCc1ccc(Cl)c(Nc2[nH+]c3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(N4CCC(O)(C(F)(F)F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700953 562867865 /nfs/dbraw/zinc/86/78/65/562867865.db2.gz ORHVDTBLXFJHBS-UHFFFAOYSA-N 1 2 819.597 8.461 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)c2ccc(O)cc2F)c1Cl ZINC000169701042 562867871 /nfs/dbraw/zinc/86/78/71/562867871.db2.gz AKNXJNGWXPAZHK-UHFFFAOYSA-N 1 2 749.515 7.859 1 30 KKEFLO Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)N[C@H]3CC[C@H](C(F)(F)F)CC3)cc2[nH+]c1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c1Cl ZINC000169701068 562867967 /nfs/dbraw/zinc/86/79/67/562867967.db2.gz KFLKUOCOYHECPE-PUZFROQSSA-N 1 2 803.598 9.458 1 30 KKEFLO CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3cccc[nH+]3)CC1)nc1ccc(Br)cc21 ZINC000198517563 562872769 /nfs/dbraw/zinc/87/27/69/562872769.db2.gz UJKOQXXQULEAKZ-HIFONGIFSA-N 1 2 807.749 8.558 1 30 KKEFLO COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(C[NH+]3CCCCC3)c2=S)cc1 ZINC000299829274 562884770 /nfs/dbraw/zinc/88/47/70/562884770.db2.gz LDWASGUZYVSISA-BIZUNTBRSA-N 1 2 581.573 7.389 1 30 KKEFLO CC[C@@H](C)c1cc([C@@H]2c3c(N)c4c([nH+]c3OC3=C2C(=O)CC(C)(C)C3)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc21 ZINC000299837895 562887678 /nfs/dbraw/zinc/88/76/78/562887678.db2.gz SOOQECYEPMHRLA-CGKQSPDFSA-N 1 2 664.799 8.023 1 30 KKEFLO O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3cc[nH+]c3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O ZINC000299858474 562892474 /nfs/dbraw/zinc/89/24/74/562892474.db2.gz SFZARDORCLZZDD-GXBUFBABSA-N 1 2 653.661 5.064 1 30 KKEFLO CCCCCCCCOC(=O)CCCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000299861557 562893331 /nfs/dbraw/zinc/89/33/31/562893331.db2.gz IMAIJPSRAGJCQB-UHFFFAOYSA-N 1 2 714.333 6.938 1 30 KKEFLO CCCCCCCCCCCCOC(=O)CCC(=O)OCC[NH+]1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1 ZINC000299870700 562895517 /nfs/dbraw/zinc/89/55/17/562895517.db2.gz WTDQHEGSBYUPPX-UHFFFAOYSA-N 1 2 756.414 8.109 1 30 KKEFLO CCCn1ccc(=Nc2ccc(C(=O)N=C3C=CC(=C4C=C[NH+](CCC)C=C4)C=C3)cc2)c2ccccc21 ZINC000377848929 562896499 /nfs/dbraw/zinc/89/64/99/562896499.db2.gz LEDBOFPAWMLQGL-UHFFFAOYSA-N 1 2 500.646 7.041 1 30 KKEFLO CCOC(=O)c1sc(NCc2c[nH+]cn2Cc2ccc([N+](=O)[O-])cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653714820 562908457 /nfs/dbraw/zinc/90/84/57/562908457.db2.gz PHKFROGFEMALBY-UHFFFAOYSA-N 1 2 521.986 5.882 1 30 KKEFLO COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)/C(Cc2cc(Br)c(OC)c(Br)c2)=N/O)cc1Br ZINC000653723620 562908927 /nfs/dbraw/zinc/90/89/27/562908927.db2.gz PEIKQAJYVPEWSH-YXTVXKGXSA-N 1 2 900.302 5.171 1 30 KKEFLO CCCCCCCC[C@H](CCCCCCCCC(=O)OC)SCC(=O)N[C@H](C(=O)OC)c1c[nH]c[nH+]1 ZINC000653796575 562913175 /nfs/dbraw/zinc/91/31/75/562913175.db2.gz FSDYFPQUTSURIM-GJZUVCINSA-N 1 2 525.756 5.886 1 30 KKEFLO CCCCCCCC[C@H](CCCCCCCCC(=O)OC)SCC(=O)N[C@H](C(=O)OC)c1c[nH+]c[nH]1 ZINC000653796575 562913176 /nfs/dbraw/zinc/91/31/76/562913176.db2.gz FSDYFPQUTSURIM-GJZUVCINSA-N 1 2 525.756 5.886 1 30 KKEFLO Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)[nH+]c(-c3ccnc(N)c3)c2)CCCC1 ZINC000085593975 565150531 /nfs/dbraw/zinc/15/05/31/565150531.db2.gz RYHAGKZUAFOKPM-GISZOUCSSA-N 1 2 666.775 6.209 1 30 biogenic,in-vitro KKEFLO CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(O)c-5c4=O)OC3(C)C)cc(N)[nH+]2)ccn1 ZINC000085594030 565150550 /nfs/dbraw/zinc/15/05/50/565150550.db2.gz FROOKVCBOSIEMF-DFNFTQNPSA-N 1 2 642.753 5.864 1 30 biogenic,in-vitro KKEFLO