smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CC[C@@H]1c1ccccc1 ZINC000092797871 185342175 /nfs/dbraw/zinc/34/21/75/185342175.db2.gz DFGAAUPAQNQDCT-WMZOPIPTSA-N 1 1 313.445 2.874 50 30 DFEAMO C[C@@H](OCC1CC1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328636838 398569096 /nfs/dbraw/zinc/56/90/96/398569096.db2.gz VRPRLLWUTAIVFE-COXVUDFISA-N 1 1 317.433 2.846 50 30 DFEAMO C=CC[N@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000072252696 191086796 /nfs/dbraw/zinc/08/67/96/191086796.db2.gz IQCYPFQWEFFUHX-UHFFFAOYSA-N 1 1 314.763 2.952 50 30 DFEAMO C=CC[N@@H+]1CCCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000072252696 191086798 /nfs/dbraw/zinc/08/67/98/191086798.db2.gz IQCYPFQWEFFUHX-UHFFFAOYSA-N 1 1 314.763 2.952 50 30 DFEAMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000095395982 398657301 /nfs/dbraw/zinc/65/73/01/398657301.db2.gz CURIGNMOTWNJBD-IRXDYDNUSA-N 1 1 316.449 2.545 50 30 DFEAMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000095395982 398657303 /nfs/dbraw/zinc/65/73/03/398657303.db2.gz CURIGNMOTWNJBD-IRXDYDNUSA-N 1 1 316.449 2.545 50 30 DFEAMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000110642175 398722287 /nfs/dbraw/zinc/72/22/87/398722287.db2.gz NUYVRXUXXPDSAB-SQWLQELKSA-N 1 1 311.495 2.647 50 30 DFEAMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281574256 216393887 /nfs/dbraw/zinc/39/38/87/216393887.db2.gz ZGEMUOAQINGELQ-KURKYZTESA-N 1 1 314.429 2.953 50 30 DFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)[C@@H](C)CC ZINC000169678899 398997221 /nfs/dbraw/zinc/99/72/21/398997221.db2.gz PTPIWXXXWKNMNX-XJKSGUPXSA-N 1 1 311.372 2.576 50 30 DFEAMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091445137 193057282 /nfs/dbraw/zinc/05/72/82/193057282.db2.gz YLJRCOAJPHKOTO-BEFAXECRSA-N 1 1 314.429 2.558 50 30 DFEAMO COCCn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000091587258 193076188 /nfs/dbraw/zinc/07/61/88/193076188.db2.gz UKUHIILVPNBVMZ-GOSISDBHSA-N 1 1 324.428 2.781 50 30 DFEAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Nc1ccc(C#N)cc1 ZINC000024571051 182384259 /nfs/dbraw/zinc/38/42/59/182384259.db2.gz XWBAVFBEXLYHFK-CQSZACIVSA-N 1 1 300.406 2.944 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000014202128 542423677 /nfs/dbraw/zinc/42/36/77/542423677.db2.gz XJANJRMLCKQYPU-UHFFFAOYSA-N 1 1 319.408 2.906 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)cc1 ZINC000014202128 542423682 /nfs/dbraw/zinc/42/36/82/542423682.db2.gz XJANJRMLCKQYPU-UHFFFAOYSA-N 1 1 319.408 2.906 50 30 DFEAMO CCCCCCCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](O)C2)C1 ZINC000408517228 257255568 /nfs/dbraw/zinc/25/55/68/257255568.db2.gz CVVRNWLVUZJCDW-SJORKVTESA-N 1 1 310.482 2.652 50 30 DFEAMO C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCCO2)[C@@H]1c1cccnc1 ZINC000328635140 257263202 /nfs/dbraw/zinc/26/32/02/257263202.db2.gz UOJFRMCLYYDYJK-JZXOWHBKSA-N 1 1 317.433 2.990 50 30 DFEAMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3c(C)noc3C)C2)n1 ZINC000328641833 257263467 /nfs/dbraw/zinc/26/34/67/257263467.db2.gz YBNRPBYEHCRMHN-ZDUSSCGKSA-N 1 1 303.366 2.543 50 30 DFEAMO C[N@H+]1CC[C@@H](CNC(=O)N[C@H]2C=CCCC2)[C@@H]1c1cccnc1 ZINC000328638422 257263789 /nfs/dbraw/zinc/26/37/89/257263789.db2.gz WIVYIWXHYKOAHD-ULQDDVLXSA-N 1 1 314.433 2.687 50 30 DFEAMO CC[N@H+]1CC[C@@H](N(C)Cc2cn3ccccc3c2C#N)[C@@H](C)C1 ZINC000245416448 146067753 /nfs/dbraw/zinc/06/77/53/146067753.db2.gz FDLFSIDFLHYGSS-MAUKXSAKSA-N 1 1 310.445 2.973 50 30 DFEAMO CC(C)c1ccc(C#N)c(NCCC[N@H+]2CCC[C@H](CO)C2)n1 ZINC000670434658 544039458 /nfs/dbraw/zinc/03/94/58/544039458.db2.gz SYQXCJSOVSTLMO-HNNXBMFYSA-N 1 1 316.449 2.583 50 30 DFEAMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C(=O)NCC)C1 ZINC000055327954 425893030 /nfs/dbraw/zinc/89/30/30/425893030.db2.gz YQTUJFDFMBHXHJ-MRXNPFEDSA-N 1 1 302.418 2.600 50 30 DFEAMO Cc1ccoc1C(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000058341290 425897967 /nfs/dbraw/zinc/89/79/67/425897967.db2.gz KDVGVDZMZWHORY-UHFFFAOYSA-N 1 1 323.396 2.854 50 30 DFEAMO N#Cc1cccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000032399333 425838612 /nfs/dbraw/zinc/83/86/12/425838612.db2.gz OFAIIGNNGCNJOP-UHFFFAOYSA-N 1 1 319.408 2.736 50 30 DFEAMO C=CCC[C@H](O)C[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000036160622 425845552 /nfs/dbraw/zinc/84/55/52/425845552.db2.gz LRGNUZWQAAOHHY-ZDUSSCGKSA-N 1 1 307.781 2.807 50 30 DFEAMO C[C@@H]1C[N@H+](Cc2cccc(CNc3ncccc3C#N)c2)CCO1 ZINC000071827968 425992228 /nfs/dbraw/zinc/99/22/28/425992228.db2.gz GXLUJBICIOYPNV-OAHLLOKOSA-N 1 1 322.412 2.786 50 30 DFEAMO C[C@@H]1C[N@@H+](Cc2cccc(CNc3ncccc3C#N)c2)CCO1 ZINC000071827968 425992229 /nfs/dbraw/zinc/99/22/29/425992229.db2.gz GXLUJBICIOYPNV-OAHLLOKOSA-N 1 1 322.412 2.786 50 30 DFEAMO CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000069536481 425946542 /nfs/dbraw/zinc/94/65/42/425946542.db2.gz HNGXHOJJHNKIRU-HOTGVXAUSA-N 1 1 303.450 2.936 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000069920253 425962491 /nfs/dbraw/zinc/96/24/91/425962491.db2.gz MLJLQACAJZVTMC-MSOLQXFVSA-N 1 1 315.392 2.673 50 30 DFEAMO C[N@@H+](CCCSCC#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000074991040 426060995 /nfs/dbraw/zinc/06/09/95/426060995.db2.gz ZFLDDLZLDBTNOZ-INIZCTEOSA-N 1 1 317.458 2.761 50 30 DFEAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncccc1C#N ZINC000075140119 426064877 /nfs/dbraw/zinc/06/48/77/426064877.db2.gz XGGQGEOVFNGGCF-PBHICJAKSA-N 1 1 307.401 2.671 50 30 DFEAMO COC(=O)c1cccc(OCC[N@H+](CCC#N)CC2CCC2)c1 ZINC000072308443 426014617 /nfs/dbraw/zinc/01/46/17/426014617.db2.gz FWZVQGBMRJFDON-UHFFFAOYSA-N 1 1 316.401 2.868 50 30 DFEAMO COC(=O)c1cccc(OCC[N@@H+](CCC#N)CC2CCC2)c1 ZINC000072308443 426014620 /nfs/dbraw/zinc/01/46/20/426014620.db2.gz FWZVQGBMRJFDON-UHFFFAOYSA-N 1 1 316.401 2.868 50 30 DFEAMO C[C@H](C1CCN(Cc2cc(C#N)n(C)c2)CC1)[NH+]1CCCC1 ZINC000072439166 426015286 /nfs/dbraw/zinc/01/52/86/426015286.db2.gz FSHRDAMZUFQOCB-OAHLLOKOSA-N 1 1 300.450 2.593 50 30 DFEAMO Cn1cc(C[C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)cn1 ZINC000089755589 426305700 /nfs/dbraw/zinc/30/57/00/426305700.db2.gz TVPZQLJDNSXRGU-QGZVFWFLSA-N 1 1 324.428 2.625 50 30 DFEAMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003616 426323630 /nfs/dbraw/zinc/32/36/30/426323630.db2.gz URZHCTXPPMWFHG-INIZCTEOSA-N 1 1 324.428 2.755 50 30 DFEAMO C#CCOc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000096434748 426423900 /nfs/dbraw/zinc/42/39/00/426423900.db2.gz IKTLSZDSUUJPLZ-GDBMZVCRSA-N 1 1 315.417 2.645 50 30 DFEAMO C=CC[N@@H+](CC(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000097033865 426440647 /nfs/dbraw/zinc/44/06/47/426440647.db2.gz BROIPJYCMWGUCG-INIZCTEOSA-N 1 1 307.459 2.639 50 30 DFEAMO C=CC[N@H+](CC(C)(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000097033865 426440650 /nfs/dbraw/zinc/44/06/50/426440650.db2.gz BROIPJYCMWGUCG-INIZCTEOSA-N 1 1 307.459 2.639 50 30 DFEAMO COc1cccc([C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000225728353 426609457 /nfs/dbraw/zinc/60/94/57/426609457.db2.gz QDIDLWMTRPKQMY-PKOBYXMFSA-N 1 1 308.381 2.875 50 30 DFEAMO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2C#N)c1 ZINC000225728353 426609462 /nfs/dbraw/zinc/60/94/62/426609462.db2.gz QDIDLWMTRPKQMY-PKOBYXMFSA-N 1 1 308.381 2.875 50 30 DFEAMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000190016472 427000020 /nfs/dbraw/zinc/00/00/20/427000020.db2.gz UQOOQTRULZDDFY-OAHLLOKOSA-N 1 1 300.402 2.748 50 30 DFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000036101123 518312421 /nfs/dbraw/zinc/31/24/21/518312421.db2.gz AAJGCJLSLYAESX-OAHLLOKOSA-N 1 1 319.426 2.662 50 30 DFEAMO CCOc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013571969 521032678 /nfs/dbraw/zinc/03/26/78/521032678.db2.gz KAZMMFODFPTBGO-UHFFFAOYSA-N 1 1 323.462 2.505 50 30 DFEAMO COc1c(C)cc(C[N@H+](C)CC(=O)N(C)C(C)(C)C#N)cc1C ZINC000065487847 521793441 /nfs/dbraw/zinc/79/34/41/521793441.db2.gz IIGWPPGLPXOVPG-UHFFFAOYSA-N 1 1 317.433 2.504 50 30 DFEAMO COc1c(C)cc(C[N@@H+](C)CC(=O)N(C)C(C)(C)C#N)cc1C ZINC000065487847 521793444 /nfs/dbraw/zinc/79/34/44/521793444.db2.gz IIGWPPGLPXOVPG-UHFFFAOYSA-N 1 1 317.433 2.504 50 30 DFEAMO C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)C1CC1 ZINC000007018839 525135774 /nfs/dbraw/zinc/13/57/74/525135774.db2.gz PMQYIXWQZNNZNK-CZUORRHYSA-N 1 1 303.431 2.693 50 30 DFEAMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1)C1CC1 ZINC000007018839 525135779 /nfs/dbraw/zinc/13/57/79/525135779.db2.gz PMQYIXWQZNNZNK-CZUORRHYSA-N 1 1 303.431 2.693 50 30 DFEAMO Cc1ccsc1C[N@H+](CCC(=O)N(CC#N)CC#N)C(C)C ZINC000058342391 525841694 /nfs/dbraw/zinc/84/16/94/525841694.db2.gz QSRKETAFYZWFQR-UHFFFAOYSA-N 1 1 318.446 2.533 50 30 DFEAMO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058328709 526235166 /nfs/dbraw/zinc/23/51/66/526235166.db2.gz IFGDOGWWJWUJHQ-GOEBONIOSA-N 1 1 317.408 2.656 50 30 DFEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(O)cc21 ZINC000004626737 398349411 /nfs/dbraw/zinc/34/94/11/398349411.db2.gz VJFMSYZSFUWQPZ-HTLFUODRSA-N 1 1 310.397 2.870 50 30 DFEAMO Cc1ncsc1CC[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000095399444 185353792 /nfs/dbraw/zinc/35/37/92/185353792.db2.gz BEDRDJZUMNJDAT-UHFFFAOYSA-N 1 1 301.415 2.877 50 30 DFEAMO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000095400755 185354326 /nfs/dbraw/zinc/35/43/26/185354326.db2.gz OBTDJGRLGAWVAX-CRAIPNDOSA-N 1 1 322.412 2.655 50 30 DFEAMO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000095400755 185354327 /nfs/dbraw/zinc/35/43/27/185354327.db2.gz OBTDJGRLGAWVAX-CRAIPNDOSA-N 1 1 322.412 2.655 50 30 DFEAMO CC(=O)N[C@]1(c2noc(C)n2)CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000328623126 398565914 /nfs/dbraw/zinc/56/59/14/398565914.db2.gz IWVRRNJAWBSDRG-GDBMZVCRSA-N 1 1 304.394 2.612 50 30 DFEAMO C=CC[N@@H+](C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000253369475 186301202 /nfs/dbraw/zinc/30/12/02/186301202.db2.gz CZCIUBSUYICZBK-BBRMVZONSA-N 1 1 311.422 2.604 50 30 DFEAMO C=CC[N@H+](C[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000253369475 186301204 /nfs/dbraw/zinc/30/12/04/186301204.db2.gz CZCIUBSUYICZBK-BBRMVZONSA-N 1 1 311.422 2.604 50 30 DFEAMO N#Cc1cccnc1N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072426680 191162071 /nfs/dbraw/zinc/16/20/71/191162071.db2.gz LVAFDJVYISUHGX-GOSISDBHSA-N 1 1 318.424 2.997 50 30 DFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)[C@H](C)CC ZINC000105750610 398694402 /nfs/dbraw/zinc/69/44/02/398694402.db2.gz PTPIWXXXWKNMNX-CZUORRHYSA-N 1 1 311.372 2.576 50 30 DFEAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000106779502 398699345 /nfs/dbraw/zinc/69/93/45/398699345.db2.gz ZZSVVAPLSOEUIW-QZTJIDSGSA-N 1 1 311.429 2.842 50 30 DFEAMO N#Cc1cccc(Cl)c1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000078294911 283206566 /nfs/dbraw/zinc/20/65/66/283206566.db2.gz RMFVCINGMBAUOT-UHFFFAOYSA-N 1 1 319.836 2.903 50 30 DFEAMO CC(=O)N1CCC([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000169781492 399000862 /nfs/dbraw/zinc/00/08/62/399000862.db2.gz OUDJECJRPDAZQZ-IBGZPJMESA-N 1 1 311.429 2.639 50 30 DFEAMO CCOc1ccccc1-c1c(C#N)c(N)nc2c1C[N@@H+](C)CC2 ZINC000018241829 182100995 /nfs/dbraw/zinc/10/09/95/182100995.db2.gz FBPQUBQBXNJHET-UHFFFAOYSA-N 1 1 308.385 2.589 50 30 DFEAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2cccc(C#N)c2)CC1 ZINC000022028140 182305600 /nfs/dbraw/zinc/30/56/00/182305600.db2.gz DFZFKZOWUPHHRW-UHFFFAOYSA-N 1 1 319.408 2.537 50 30 DFEAMO N#Cc1cccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000024620849 182385145 /nfs/dbraw/zinc/38/51/45/182385145.db2.gz GDZVKQBAGHSBED-UHFFFAOYSA-N 1 1 319.408 2.559 50 30 DFEAMO Cc1ncc(C[N@H+]2CC[C@@H](CNc3ncccc3C#N)C2)s1 ZINC000065496826 184355147 /nfs/dbraw/zinc/35/51/47/184355147.db2.gz GZJJFCYMYJYTIE-ZDUSSCGKSA-N 1 1 313.430 2.652 50 30 DFEAMO C[C@H](CNC(=O)Nc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000252452561 256610965 /nfs/dbraw/zinc/61/09/65/256610965.db2.gz OWVLSYWOKFDDNO-ZIAGYGMSSA-N 1 1 300.406 2.943 50 30 DFEAMO C#CC[N@@H+](CC(=O)NC1(C#N)CCCC1)[C@@H]1CCc2ccccc21 ZINC000096308897 257272186 /nfs/dbraw/zinc/27/21/86/257272186.db2.gz YQODQKIOGXISAJ-GOSISDBHSA-N 1 1 321.424 2.562 50 30 DFEAMO C#CC[N@H+](CC(=O)NC1(C#N)CCCC1)[C@@H]1CCc2ccccc21 ZINC000096308897 257272187 /nfs/dbraw/zinc/27/21/87/257272187.db2.gz YQODQKIOGXISAJ-GOSISDBHSA-N 1 1 321.424 2.562 50 30 DFEAMO CCCCCCCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](O)C2)C1 ZINC000408517226 257255428 /nfs/dbraw/zinc/25/54/28/257255428.db2.gz CVVRNWLVUZJCDW-IAGOWNOFSA-N 1 1 310.482 2.652 50 30 DFEAMO Cc1cc(N2CCCN(c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000052189396 425884152 /nfs/dbraw/zinc/88/41/52/425884152.db2.gz AYPMWJAACPGFPC-UHFFFAOYSA-N 1 1 307.401 2.682 50 30 DFEAMO N#Cc1cnc(NCC[C@@H]2CCCC[N@H+]2C2CCCC2)nc1N ZINC000670447597 544042213 /nfs/dbraw/zinc/04/22/13/544042213.db2.gz OMXWTIFMUPBUDG-HNNXBMFYSA-N 1 1 314.437 2.530 50 30 DFEAMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2)c1 ZINC000055392980 425893480 /nfs/dbraw/zinc/89/34/80/425893480.db2.gz TWHVVUXFDCJBDA-UHFFFAOYSA-N 1 1 310.397 2.951 50 30 DFEAMO C=CCN(Cc1ccco1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063868534 425901207 /nfs/dbraw/zinc/90/12/07/425901207.db2.gz USJGKCOYVJXUPY-QZTJIDSGSA-N 1 1 304.434 2.647 50 30 DFEAMO COc1ccc(C=CC(=O)ONC2=[NH+]CCCCC2)cc1OC ZINC000003186554 262532339 /nfs/dbraw/zinc/53/23/39/262532339.db2.gz HMTFFHGIPSGQFO-CSKARUKUSA-N 1 1 318.373 2.737 50 30 DFEAMO O=C(C[n+]1cccc2cccc(O)c21)c1ccc([N+](=O)[O-])cc1 ZINC000003123349 425609858 /nfs/dbraw/zinc/60/98/58/425609858.db2.gz HHKFIMNJJXSNIU-UHFFFAOYSA-O 1 1 309.301 2.624 50 30 DFEAMO N#CC1(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)CCCC1 ZINC000008320287 425665573 /nfs/dbraw/zinc/66/55/73/425665573.db2.gz TXPAJMULKGLQBH-CYBMUJFWSA-N 1 1 303.431 2.838 50 30 DFEAMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)CCCC1 ZINC000008320287 425665578 /nfs/dbraw/zinc/66/55/78/425665578.db2.gz TXPAJMULKGLQBH-CYBMUJFWSA-N 1 1 303.431 2.838 50 30 DFEAMO [NH2+]=C(NOC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000005034894 425622243 /nfs/dbraw/zinc/62/22/43/425622243.db2.gz RFEPLRHIJZIJIJ-UHFFFAOYSA-N 1 1 319.704 2.726 50 30 DFEAMO CC[N@H+](CCn1c(C)csc1=O)Cc1ccc(C#N)cc1F ZINC000047725137 425871559 /nfs/dbraw/zinc/87/15/59/425871559.db2.gz HBPOISIOFKPBKO-UHFFFAOYSA-N 1 1 319.405 2.751 50 30 DFEAMO CC[N@@H+](CCn1c(C)csc1=O)Cc1ccc(C#N)cc1F ZINC000047725137 425871560 /nfs/dbraw/zinc/87/15/60/425871560.db2.gz HBPOISIOFKPBKO-UHFFFAOYSA-N 1 1 319.405 2.751 50 30 DFEAMO C=CCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000048094473 425873017 /nfs/dbraw/zinc/87/30/17/425873017.db2.gz MHIOMDPRXBLTFN-HNNXBMFYSA-N 1 1 314.385 2.877 50 30 DFEAMO COc1ccc([C@H](CO)[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000071904383 426002545 /nfs/dbraw/zinc/00/25/45/426002545.db2.gz JXUHKTCOQUIOKY-SFHVURJKSA-N 1 1 314.360 2.871 50 30 DFEAMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000071904383 426002547 /nfs/dbraw/zinc/00/25/47/426002547.db2.gz JXUHKTCOQUIOKY-SFHVURJKSA-N 1 1 314.360 2.871 50 30 DFEAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000069536479 425946300 /nfs/dbraw/zinc/94/63/00/425946300.db2.gz HNGXHOJJHNKIRU-CVEARBPZSA-N 1 1 303.450 2.936 50 30 DFEAMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)NC(C)(C)C)C1 ZINC000071915923 426004807 /nfs/dbraw/zinc/00/48/07/426004807.db2.gz BUHBIWCJLCVYGB-QWHCGFSZSA-N 1 1 301.862 2.937 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000069816869 425960570 /nfs/dbraw/zinc/96/05/70/425960570.db2.gz BQQHSOVVAMAPNP-GOSISDBHSA-N 1 1 309.417 2.679 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000069876656 425961583 /nfs/dbraw/zinc/96/15/83/425961583.db2.gz OMLISGIDWGZQTD-MSOLQXFVSA-N 1 1 315.392 2.673 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000069876656 425961585 /nfs/dbraw/zinc/96/15/85/425961585.db2.gz OMLISGIDWGZQTD-MSOLQXFVSA-N 1 1 315.392 2.673 50 30 DFEAMO C=C(Br)C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000078553066 426174936 /nfs/dbraw/zinc/17/49/36/426174936.db2.gz LSFNDHBRBSXGBG-UHFFFAOYSA-N 1 1 316.195 2.711 50 30 DFEAMO C[NH+](C)[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000095379623 426370901 /nfs/dbraw/zinc/37/09/01/426370901.db2.gz QKFANRWEZDMSRW-KRWDZBQOSA-N 1 1 311.360 2.616 50 30 DFEAMO C=C(Br)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000096490974 426435888 /nfs/dbraw/zinc/43/58/88/426435888.db2.gz KGQYVBGCLMWUJV-AWEZNQCLSA-N 1 1 323.234 2.848 50 30 DFEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000229970532 426641642 /nfs/dbraw/zinc/64/16/42/426641642.db2.gz VMRNUWXISBAWNP-YQVWRLOYSA-N 1 1 314.429 2.953 50 30 DFEAMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CCCC[C@H]32)cc1 ZINC000230100105 426644175 /nfs/dbraw/zinc/64/41/75/426644175.db2.gz KBFJRHJROKBAMP-DOTOQJQBSA-N 1 1 318.442 2.596 50 30 DFEAMO COc1ccc(C[N@H+]2CCCN(c3cccc(C#N)n3)CC2)cc1 ZINC000242317051 426720185 /nfs/dbraw/zinc/72/01/85/426720185.db2.gz YWXYVBMCLMAKQP-UHFFFAOYSA-N 1 1 322.412 2.674 50 30 DFEAMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(C#N)cc2)cc1 ZINC000284100980 427133204 /nfs/dbraw/zinc/13/32/04/427133204.db2.gz SAKIHASZNZVGEW-IBGZPJMESA-N 1 1 309.413 2.959 50 30 DFEAMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000345786256 427905207 /nfs/dbraw/zinc/90/52/07/427905207.db2.gz CGOGDGOWLVNLMM-RYQLBKOJSA-N 1 1 318.392 2.713 50 30 DFEAMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000345786256 427905212 /nfs/dbraw/zinc/90/52/12/427905212.db2.gz CGOGDGOWLVNLMM-RYQLBKOJSA-N 1 1 318.392 2.713 50 30 DFEAMO C[C@@H](c1ccncc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000069780101 274279475 /nfs/dbraw/zinc/27/94/75/274279475.db2.gz FLIUMUHTXMAANT-AWEZNQCLSA-N 1 1 310.376 2.976 50 30 DFEAMO C[NH+]1CCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)CC1 ZINC000000065822 277115607 /nfs/dbraw/zinc/11/56/07/277115607.db2.gz JQJDLGNTOHWMGH-UHFFFAOYSA-N 1 1 302.765 2.618 50 30 DFEAMO N#Cc1ccccc1C[NH+](C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047774925 303205911 /nfs/dbraw/zinc/20/59/11/303205911.db2.gz PQOIQHAXEKZFIW-ROUUACIJSA-N 1 1 300.402 2.718 50 30 DFEAMO C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccccc1F ZINC000036096352 518297981 /nfs/dbraw/zinc/29/79/81/518297981.db2.gz BPVFNYLRYBVPAJ-KRWDZBQOSA-N 1 1 307.409 2.685 50 30 DFEAMO C=CCc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000020168121 519138233 /nfs/dbraw/zinc/13/82/33/519138233.db2.gz JUXXSMUBYNMCER-GJZGRUSLSA-N 1 1 305.418 2.912 50 30 DFEAMO CC[N@@H+]1CCc2nc(NC=CC(=O)C(F)(F)F)sc2C1 ZINC000025285454 521724697 /nfs/dbraw/zinc/72/46/97/521724697.db2.gz JMEKHBFFIRNLKT-HWKANZROSA-N 1 1 305.325 2.578 50 30 DFEAMO CC[N@H+]1CCc2nc(NC=CC(=O)C(F)(F)F)sc2C1 ZINC000025285454 521724699 /nfs/dbraw/zinc/72/46/99/521724699.db2.gz JMEKHBFFIRNLKT-HWKANZROSA-N 1 1 305.325 2.578 50 30 DFEAMO C[C@H](C(=O)ONC(=[NH2+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004985931 526186167 /nfs/dbraw/zinc/18/61/67/526186167.db2.gz BVRVMCJBIKSAEX-NSHDSACASA-N 1 1 313.313 2.562 50 30 DFEAMO C[C@H](C1CC1)[N@@H+](CCC#N)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000071897157 526207113 /nfs/dbraw/zinc/20/71/13/526207113.db2.gz QCJDFSUPPMMGFI-CYBMUJFWSA-N 1 1 321.446 2.572 50 30 DFEAMO C=CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000095454665 185369834 /nfs/dbraw/zinc/36/98/34/185369834.db2.gz MVTQQVVKPWBQBD-HNNXBMFYSA-N 1 1 320.234 2.817 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)n1 ZINC000069629487 398578458 /nfs/dbraw/zinc/57/84/58/398578458.db2.gz MFGCNELWZZWLOA-SFHVURJKSA-N 1 1 309.417 2.821 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)n1 ZINC000069629487 398578461 /nfs/dbraw/zinc/57/84/61/398578461.db2.gz MFGCNELWZZWLOA-SFHVURJKSA-N 1 1 309.417 2.821 50 30 DFEAMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000072265025 191089269 /nfs/dbraw/zinc/08/92/69/191089269.db2.gz MWYNWWZIPFHYKX-HNNXBMFYSA-N 1 1 301.390 2.657 50 30 DFEAMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000072305959 191117843 /nfs/dbraw/zinc/11/78/43/191117843.db2.gz NVXHJZLUKJMEAM-XJKSGUPXSA-N 1 1 300.406 2.895 50 30 DFEAMO COc1ccc(/C=N/CC[C@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000006576983 181355984 /nfs/dbraw/zinc/35/59/84/181355984.db2.gz WOAIYBQMKKZABM-ZEROTVIDSA-N 1 1 304.434 2.595 50 30 DFEAMO COc1ccc(/C=N/CC[C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000006576983 181355985 /nfs/dbraw/zinc/35/59/85/181355985.db2.gz WOAIYBQMKKZABM-ZEROTVIDSA-N 1 1 304.434 2.595 50 30 DFEAMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000093820406 193313394 /nfs/dbraw/zinc/31/33/94/193313394.db2.gz QPPQTQVNIGMDRU-GOSISDBHSA-N 1 1 303.402 2.872 50 30 DFEAMO O=[N+]([O-])c1cccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019372217 182120694 /nfs/dbraw/zinc/12/06/94/182120694.db2.gz QWELUNSDRGPVIX-XMHGGMMESA-N 1 1 324.384 2.747 50 30 DFEAMO COc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019848771 182156765 /nfs/dbraw/zinc/15/67/65/182156765.db2.gz GRLAGQYJKREIPF-HMMYKYKNSA-N 1 1 309.413 2.847 50 30 DFEAMO C/C(=N\N1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000019879248 182160019 /nfs/dbraw/zinc/16/00/19/182160019.db2.gz KZZOSYSRCJFDSA-CAPFRKAQSA-N 1 1 309.413 2.934 50 30 DFEAMO C=CCOc1c(Cl)cc(CNCC[NH+](C)C)cc1OCC ZINC000020406695 182215385 /nfs/dbraw/zinc/21/53/85/182215385.db2.gz JGIUFLGVIWGDRA-UHFFFAOYSA-N 1 1 312.841 2.955 50 30 DFEAMO C[NH+]1CCN(Cc2cccc(C(=O)c3cccc(C#N)c3)c2)CC1 ZINC000022027989 182304663 /nfs/dbraw/zinc/30/46/63/182304663.db2.gz MBBDEYSQGHUTQW-UHFFFAOYSA-N 1 1 319.408 2.537 50 30 DFEAMO O=[N+]([O-])c1cccc(C=NN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000238924089 257260225 /nfs/dbraw/zinc/26/02/25/257260225.db2.gz QWELUNSDRGPVIX-UHFFFAOYSA-N 1 1 324.384 2.747 50 30 DFEAMO CCCn1cc(C[N@H+]2CC[C@@H](n3ccc(NC(C)=O)n3)C2)cn1 ZINC000328631691 257263345 /nfs/dbraw/zinc/26/33/45/257263345.db2.gz RHYMVSNNCDTRMF-OAHLLOKOSA-N 1 1 316.409 2.545 50 30 DFEAMO COCc1ccc(C[N@H+]2CC[C@H](n3ccc(NC(C)=O)n3)C2)o1 ZINC000328624122 257264525 /nfs/dbraw/zinc/26/45/25/257264525.db2.gz JSGAEIWKENVCHH-ZDUSSCGKSA-N 1 1 318.377 2.677 50 30 DFEAMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000190016453 287142281 /nfs/dbraw/zinc/14/22/81/287142281.db2.gz UQOOQTRULZDDFY-HNNXBMFYSA-N 1 1 300.402 2.748 50 30 DFEAMO C=C(C)COc1cccc(C[NH2+][C@@H](COC)c2ccnn2C)c1 ZINC000055090576 425891903 /nfs/dbraw/zinc/89/19/03/425891903.db2.gz PRXRJWXXHKFQSZ-KRWDZBQOSA-N 1 1 315.417 2.852 50 30 DFEAMO C=CCc1cc(C[N@H+]2CCC(=O)NC[C@@H]2C)ccc1OCC ZINC000055227448 425892749 /nfs/dbraw/zinc/89/27/49/425892749.db2.gz AZZSPTMMEMZYNX-AWEZNQCLSA-N 1 1 302.418 2.524 50 30 DFEAMO C=CCc1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)ccc1OC ZINC000670460106 544044469 /nfs/dbraw/zinc/04/44/69/544044469.db2.gz IDHKFQPLQZRODC-UHFFFAOYSA-N 1 1 312.417 2.921 50 30 DFEAMO N#Cc1cccc2c1ccn2C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834683 425901276 /nfs/dbraw/zinc/90/12/76/425901276.db2.gz QLJXAMONXJWOPX-RTBURBONSA-N 1 1 309.413 2.892 50 30 DFEAMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc(C#N)c1 ZINC000284539077 266751727 /nfs/dbraw/zinc/75/17/27/266751727.db2.gz FYKZTKZCDNOFOU-RCCFBDPRSA-N 1 1 300.402 2.574 50 30 DFEAMO C/C(=C/C(=O)C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000006904136 425631516 /nfs/dbraw/zinc/63/15/16/425631516.db2.gz BBZASAQTRJSAKX-QBFSEMIESA-N 1 1 312.335 2.839 50 30 DFEAMO Cc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1C ZINC000013658802 425759069 /nfs/dbraw/zinc/75/90/69/425759069.db2.gz SZAOSWSGSOQHGI-UHFFFAOYSA-N 1 1 307.463 2.723 50 30 DFEAMO N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000032912067 425840350 /nfs/dbraw/zinc/84/03/50/425840350.db2.gz RNZASARJAIRQBY-LJQANCHMSA-N 1 1 319.408 2.953 50 30 DFEAMO CN(C(=O)C[N@@H+]1CCc2ccccc2C1)C1(C#N)CCCCC1 ZINC000035270967 425843599 /nfs/dbraw/zinc/84/35/99/425843599.db2.gz JNPFTKQDGXBBDO-UHFFFAOYSA-N 1 1 311.429 2.730 50 30 DFEAMO CN(C(=O)C[N@H+]1CCc2ccccc2C1)C1(C#N)CCCCC1 ZINC000035270967 425843600 /nfs/dbraw/zinc/84/36/00/425843600.db2.gz JNPFTKQDGXBBDO-UHFFFAOYSA-N 1 1 311.429 2.730 50 30 DFEAMO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)c1 ZINC000047774870 425872011 /nfs/dbraw/zinc/87/20/11/425872011.db2.gz CZYWILRSUADAOU-HDICACEKSA-N 1 1 300.402 2.718 50 30 DFEAMO C[C@H]1C[NH+](CCCNc2snc(Cl)c2C#N)C[C@H](C)O1 ZINC000048554732 425875843 /nfs/dbraw/zinc/87/58/43/425875843.db2.gz SSRILFDGBLTCGU-UWVGGRQHSA-N 1 1 314.842 2.579 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000069929892 425964064 /nfs/dbraw/zinc/96/40/64/425964064.db2.gz SSWIEYSFLHNZRF-MSOLQXFVSA-N 1 1 315.392 2.673 50 30 DFEAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000069929885 425964538 /nfs/dbraw/zinc/96/45/38/425964538.db2.gz SSWIEYSFLHNZRF-ZWKOTPCHSA-N 1 1 315.392 2.673 50 30 DFEAMO COC[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000170597098 426139559 /nfs/dbraw/zinc/13/95/59/426139559.db2.gz OICFUVPCDFCMHX-HNNXBMFYSA-N 1 1 315.417 2.635 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)o1 ZINC000095982825 426382704 /nfs/dbraw/zinc/38/27/04/426382704.db2.gz UZMJHRODXFPFGD-AWEZNQCLSA-N 1 1 315.417 2.812 50 30 DFEAMO C=CC[NH+](CC=C)CC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096406239 426414924 /nfs/dbraw/zinc/41/49/24/426414924.db2.gz MHBQTYYTURLDRY-UHFFFAOYSA-N 1 1 304.356 2.898 50 30 DFEAMO N#Cc1ccc(F)c(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000096417436 426418312 /nfs/dbraw/zinc/41/83/12/426418312.db2.gz FMUOJFOAOVUVDG-UHFFFAOYSA-N 1 1 318.392 2.857 50 30 DFEAMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419617 426419558 /nfs/dbraw/zinc/41/95/58/426419558.db2.gz PANLMTNGAHZJGA-ZACQAIPSSA-N 1 1 300.402 2.682 50 30 DFEAMO N#Cc1cc(NCCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000097104439 426449832 /nfs/dbraw/zinc/44/98/32/426449832.db2.gz DGNDOYHLCURSCU-UHFFFAOYSA-N 1 1 311.345 2.654 50 30 DFEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)nn(CC)c2C)C[C@H]1C ZINC000097634916 426471514 /nfs/dbraw/zinc/47/15/14/426471514.db2.gz LPHKBUUVTJZHJC-CHWSQXEVSA-N 1 1 319.453 2.632 50 30 DFEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)Nc2c(C)nn(CC)c2C)C[C@H]1C ZINC000097634916 426471516 /nfs/dbraw/zinc/47/15/16/426471516.db2.gz LPHKBUUVTJZHJC-CHWSQXEVSA-N 1 1 319.453 2.632 50 30 DFEAMO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000240707727 426715218 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C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025399323 518889707 /nfs/dbraw/zinc/88/97/07/518889707.db2.gz LNOOIAVPCQJHQQ-IBGZPJMESA-N 1 1 306.409 2.936 50 30 DFEAMO C=CCc1cc(OC)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153563 519132795 /nfs/dbraw/zinc/13/27/95/519132795.db2.gz LFLVRTYNIBGBPU-GASCZTMLSA-N 1 1 305.418 2.912 50 30 DFEAMO C=CCc1cc(OC)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153563 519132798 /nfs/dbraw/zinc/13/27/98/519132798.db2.gz LFLVRTYNIBGBPU-GASCZTMLSA-N 1 1 305.418 2.912 50 30 DFEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cc(C)cc(C)c2)c1 ZINC000004685169 524149867 /nfs/dbraw/zinc/14/98/67/524149867.db2.gz IDCIHSNROWXFHW-UHFFFAOYSA-N 1 1 312.369 2.854 50 30 DFEAMO C[C@@H](C1CC1)[N@@H+](CCC#N)Cc1ccc(NS(C)(=O)=O)cc1 ZINC000071897156 524324028 /nfs/dbraw/zinc/32/40/28/524324028.db2.gz QCJDFSUPPMMGFI-ZDUSSCGKSA-N 1 1 321.446 2.572 50 30 DFEAMO COc1ccccc1CC(=[NH2+])NOC(=O)C=Cc1ccccc1 ZINC000018173057 524367233 /nfs/dbraw/zinc/36/72/33/524367233.db2.gz 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CS[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1 ZINC000328596939 257265382 /nfs/dbraw/zinc/26/53/82/257265382.db2.gz BRPDAORUQOUGAO-CQSZACIVSA-N 1 1 307.419 2.670 50 30 DFEAMO CCOC(=O)CCC#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000055243849 425892595 /nfs/dbraw/zinc/89/25/95/425892595.db2.gz BIBIFLHHXCYPJK-KRWDZBQOSA-N 1 1 300.402 2.955 50 30 DFEAMO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000071904370 426002658 /nfs/dbraw/zinc/00/26/58/426002658.db2.gz NTYGZWYLTCOCJX-GOSISDBHSA-N 1 1 314.360 2.871 50 30 DFEAMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000071904370 426002662 /nfs/dbraw/zinc/00/26/62/426002662.db2.gz NTYGZWYLTCOCJX-GOSISDBHSA-N 1 1 314.360 2.871 50 30 DFEAMO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000069519901 425944341 /nfs/dbraw/zinc/94/43/41/425944341.db2.gz GFSBHAKNBLJFIT-OALUTQOASA-N 1 1 322.408 2.787 50 30 DFEAMO C=CCOC[C@H](O)C[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000104973409 425967204 /nfs/dbraw/zinc/96/72/04/425967204.db2.gz DOBMHIFGDNBWJQ-MOPGFXCFSA-N 1 1 319.445 2.540 50 30 DFEAMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000075582099 426078832 /nfs/dbraw/zinc/07/88/32/426078832.db2.gz ZYVVYWLTXWCQDX-CQSZACIVSA-N 1 1 315.417 2.905 50 30 DFEAMO COc1ccc2c(c1OC)C1=CC(=O)CC[C@]13CC[N@H+](C)[C@@H]3C2 ZINC000100808287 426483123 /nfs/dbraw/zinc/48/31/23/426483123.db2.gz NTBUZVDJIPAXSX-APWZRJJASA-N 1 1 313.397 2.697 50 30 DFEAMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000239636929 426713153 /nfs/dbraw/zinc/71/31/53/426713153.db2.gz BHOFAVDJBLQHLA-CYBMUJFWSA-N 1 1 318.421 2.868 50 30 DFEAMO COc1cccc([C@H]2C[C@H](O)C[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000282125265 426834541 /nfs/dbraw/zinc/83/45/41/426834541.db2.gz JSBIYKTXMPJOFZ-PKOBYXMFSA-N 1 1 308.381 2.875 50 30 DFEAMO CC#CC[NH2+][C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000182308311 427051976 /nfs/dbraw/zinc/05/19/76/427051976.db2.gz DWRCFBZPWHJXNZ-SFHVURJKSA-N 1 1 313.422 2.792 50 30 DFEAMO COC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1c1ccccn1 ZINC000257186619 427306306 /nfs/dbraw/zinc/30/63/06/427306306.db2.gz KQARMKDVOLXUAK-ZWKOTPCHSA-N 1 1 307.397 2.815 50 30 DFEAMO C=CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000036103266 518990331 /nfs/dbraw/zinc/99/03/31/518990331.db2.gz VXUNGPIAFWRLJX-KRWDZBQOSA-N 1 1 301.386 2.845 50 30 DFEAMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000004097180 560123284 /nfs/dbraw/zinc/12/32/84/560123284.db2.gz VJFMSYZSFUWQPZ-BIPCEHGGSA-N 1 1 310.397 2.870 50 30 biogenic,in-vitro DFEAMO C=CC[N@@H+]1CCCN(C(=O)c2ccccc2Br)CC1 ZINC000072252677 191086881 /nfs/dbraw/zinc/08/68/81/191086881.db2.gz KQCIWQHESBIOQK-UHFFFAOYSA-N 1 1 323.234 2.783 50 30 DFEAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C#N)cc1)[NH+](C)C ZINC000015690658 182013142 /nfs/dbraw/zinc/01/31/42/182013142.db2.gz IQAAZRAKSKCLRW-QGZVFWFLSA-N 1 1 323.396 2.600 50 30 DFEAMO O=[N+]([O-])c1ccccc1/C=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771475 182145528 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CC[NH+]1CCN(c2oc(/C=C/c3cccs3)nc2C#N)CC1 ZINC000008226942 425664026 /nfs/dbraw/zinc/66/40/26/425664026.db2.gz YHCSODUXJUTYRQ-AATRIKPKSA-N 1 1 314.414 2.920 50 30 DFEAMO COc1ccc(C(=[NH2+])NOC(=O)CCC2CCCC2)cc1OC ZINC000005060689 425622349 /nfs/dbraw/zinc/62/23/49/425622349.db2.gz RAFZNEBWFDQWAM-UHFFFAOYSA-N 1 1 320.389 2.838 50 30 DFEAMO CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000012747623 425736328 /nfs/dbraw/zinc/73/63/28/425736328.db2.gz ZLNHQGKFMJWHTO-UHFFFAOYSA-N 1 1 319.408 2.889 50 30 DFEAMO C=C(C)C[N@H+](CC)C[C@H](O)COc1cccc(C(=O)OCC)c1 ZINC000046444511 425864962 /nfs/dbraw/zinc/86/49/62/425864962.db2.gz LYJFMPYJRCJVPP-INIZCTEOSA-N 1 1 321.417 2.501 50 30 DFEAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000040024887 425850963 /nfs/dbraw/zinc/85/09/63/425850963.db2.gz QKVXCBOUKNQIFG-UHFFFAOYSA-N 1 1 306.413 2.974 50 30 DFEAMO CC[N@H+](CC(=O)NCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000048611031 425876434 /nfs/dbraw/zinc/87/64/34/425876434.db2.gz YGVCKMBEVILMRG-UHFFFAOYSA-N 1 1 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C=C(C)C[NH+]1CCC(Nc2ccccc2S(=O)(=O)CC)CC1 ZINC000225518389 426604356 /nfs/dbraw/zinc/60/43/56/426604356.db2.gz RDAHPGFUZZHLEO-UHFFFAOYSA-N 1 1 322.474 2.933 50 30 DFEAMO CNC(=S)N[NH+]=C(C)c1ccc(N2CCCCCC2)cc1 ZINC000254808769 427225402 /nfs/dbraw/zinc/22/54/02/427225402.db2.gz NLLQVGCRRQKLAU-UHFFFAOYSA-N 1 1 304.463 2.885 50 30 DFEAMO N#Cc1ccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)c(F)c1 ZINC000191069273 427247375 /nfs/dbraw/zinc/24/73/75/427247375.db2.gz CJHUDAGUXULNSL-HNNXBMFYSA-N 1 1 301.365 2.512 50 30 DFEAMO C[C@@H](c1cccnc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000301081644 427774130 /nfs/dbraw/zinc/77/41/30/427774130.db2.gz KQFPZJHCOCFSIB-AWEZNQCLSA-N 1 1 310.376 2.976 50 30 DFEAMO COc1cc(C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)ccc1C#N ZINC000344870694 428718469 /nfs/dbraw/zinc/71/84/69/428718469.db2.gz DPQFKMPWNOMXNO-OAHLLOKOSA-N 1 1 324.384 2.817 50 30 DFEAMO C=CCNC(=O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000025399328 518889831 /nfs/dbraw/zinc/88/98/31/518889831.db2.gz 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C[C@@H]1C[N@H+](CCCCNc2nccc(C#N)c2Cl)C[C@H](C)O1 ZINC000225652778 186287018 /nfs/dbraw/zinc/28/70/18/186287018.db2.gz BVXMCMSARVZRHG-BETUJISGSA-N 1 1 322.840 2.908 50 30 DFEAMO C=CCC[C@@H](C[N@H+](C)CC)Oc1ccc(S(C)(=O)=O)cc1 ZINC000072430905 191163044 /nfs/dbraw/zinc/16/30/44/191163044.db2.gz VLOQWLDMMOINGX-HNNXBMFYSA-N 1 1 311.447 2.755 50 30 DFEAMO C[NH+]1CCN(Cc2ccc(C(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000022027880 182304770 /nfs/dbraw/zinc/30/47/70/182304770.db2.gz YHFQOTBKKYQIRV-UHFFFAOYSA-N 1 1 319.408 2.537 50 30 DFEAMO CS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000110646147 194346018 /nfs/dbraw/zinc/34/60/18/194346018.db2.gz TZZKZPRQFNZLGN-LSDHHAIUSA-N 1 1 303.431 2.713 50 30 DFEAMO COc1ccc(CC[N@H+](C)C[C@@H](C#N)CCC#N)cc1OC ZINC000058170506 184084147 /nfs/dbraw/zinc/08/41/47/184084147.db2.gz VWSRULHGTBYXFE-OAHLLOKOSA-N 1 1 301.390 2.622 50 30 DFEAMO COc1ccc(CC[N@@H+](C)C[C@@H](C#N)CCC#N)cc1OC ZINC000058170506 184084148 /nfs/dbraw/zinc/08/41/48/184084148.db2.gz 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/nfs/dbraw/zinc/26/40/51/257264051.db2.gz BNRVUOYDJCICAR-INIZCTEOSA-N 1 1 309.373 2.810 50 30 DFEAMO N#Cc1cc2n(n1)CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000670455846 544043282 /nfs/dbraw/zinc/04/32/82/544043282.db2.gz WGSJNMFFDSAYSI-UHFFFAOYSA-N 1 1 318.384 2.551 50 30 DFEAMO N#Cc1cc2n(n1)CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000670455846 544043284 /nfs/dbraw/zinc/04/32/84/544043284.db2.gz WGSJNMFFDSAYSI-UHFFFAOYSA-N 1 1 318.384 2.551 50 30 DFEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccc(O)cc3)CC2)cc1 ZINC000025326468 425804426 /nfs/dbraw/zinc/80/44/26/425804426.db2.gz MIWQHVREJZUFBT-XSFVSMFZSA-N 1 1 309.413 2.852 50 30 DFEAMO Cc1ccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000032869684 425840077 /nfs/dbraw/zinc/84/00/77/425840077.db2.gz PCNPYLMRZMLORA-UHFFFAOYSA-N 1 1 306.413 2.974 50 30 DFEAMO CCc1ccc([C@H](C)NC(=O)CO[NH+]=C(N)CC(C)C)cc1 ZINC000048287629 425874105 /nfs/dbraw/zinc/87/41/05/425874105.db2.gz ZZAIMSOHAFDWFW-ZDUSSCGKSA-N 1 1 305.422 2.761 50 30 DFEAMO C=CC[N@@H+](CCN1C(=O)CCC1=O)Cc1ccc(Cl)s1 ZINC000048308565 425874362 /nfs/dbraw/zinc/87/43/62/425874362.db2.gz PFDNYHLXHRWOCE-UHFFFAOYSA-N 1 1 312.822 2.539 50 30 DFEAMO C=CC[N@H+](CCN1C(=O)CCC1=O)Cc1ccc(Cl)s1 ZINC000048308565 425874363 /nfs/dbraw/zinc/87/43/63/425874363.db2.gz PFDNYHLXHRWOCE-UHFFFAOYSA-N 1 1 312.822 2.539 50 30 DFEAMO C[C@H]1C[N@H+](Cc2cccc(CNc3ncccc3C#N)c2)CCO1 ZINC000071827969 425992166 /nfs/dbraw/zinc/99/21/66/425992166.db2.gz GXLUJBICIOYPNV-HNNXBMFYSA-N 1 1 322.412 2.786 50 30 DFEAMO C[C@H]1C[N@@H+](Cc2cccc(CNc3ncccc3C#N)c2)CCO1 ZINC000071827969 425992169 /nfs/dbraw/zinc/99/21/69/425992169.db2.gz GXLUJBICIOYPNV-HNNXBMFYSA-N 1 1 322.412 2.786 50 30 DFEAMO C[N@@H+](CCn1c2ccccc2oc1=O)Cc1ccc(C#N)cc1 ZINC000069433243 425940093 /nfs/dbraw/zinc/94/00/93/425940093.db2.gz HTEBLDMVZJDMMW-UHFFFAOYSA-N 1 1 307.353 2.598 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000069876650 425961282 /nfs/dbraw/zinc/96/12/82/425961282.db2.gz 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C=CCn1cc(C[N@@H+](Cc2ccco2)[C@@H](CC)CO)c(C)n1 ZINC000055575606 519278362 /nfs/dbraw/zinc/27/83/62/519278362.db2.gz WBBBTGOJVUJJAW-INIZCTEOSA-N 1 1 303.406 2.744 50 30 DFEAMO C=CCn1cc(C[N@H+](Cc2ccco2)[C@@H](CC)CO)c(C)n1 ZINC000055575606 519278365 /nfs/dbraw/zinc/27/83/65/519278365.db2.gz WBBBTGOJVUJJAW-INIZCTEOSA-N 1 1 303.406 2.744 50 30 DFEAMO CN(C)c1ccc(/C=[NH+]\NC(=S)NC2CCCCC2)cc1 ZINC000033627838 522135964 /nfs/dbraw/zinc/13/59/64/522135964.db2.gz LGFYWRIZRSPAIJ-ATVHPVEESA-N 1 1 304.463 2.883 50 30 DFEAMO C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)C1CC1 ZINC000007018843 525738279 /nfs/dbraw/zinc/73/82/79/525738279.db2.gz PMQYIXWQZNNZNK-CJNGLKHVSA-N 1 1 303.431 2.693 50 30 DFEAMO C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1c1cccs1)C1CC1 ZINC000007018843 525738285 /nfs/dbraw/zinc/73/82/85/525738285.db2.gz PMQYIXWQZNNZNK-CJNGLKHVSA-N 1 1 303.431 2.693 50 30 DFEAMO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000058328712 526235902 /nfs/dbraw/zinc/23/59/02/526235902.db2.gz 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ZINC000072305958 191118066 /nfs/dbraw/zinc/11/80/66/191118066.db2.gz NVXHJZLUKJMEAM-BBRMVZONSA-N 1 1 300.406 2.895 50 30 DFEAMO C=CCC[C@H](C[N@H+](C)CC)Oc1ccc(S(C)(=O)=O)cc1 ZINC000072430904 191162985 /nfs/dbraw/zinc/16/29/85/191162985.db2.gz VLOQWLDMMOINGX-OAHLLOKOSA-N 1 1 311.447 2.755 50 30 DFEAMO CC(C)C[NH+](CC#C[C@@H](CO)NCc1ccccc1)CC(C)C ZINC000002199443 180915308 /nfs/dbraw/zinc/91/53/08/180915308.db2.gz POXNNRIKOHTPIC-FQEVSTJZSA-N 1 1 316.489 2.755 50 30 DFEAMO C#CCOc1ccc(CNc2[nH+]cccc2N2CCOCC2)cc1 ZINC000170616100 399011593 /nfs/dbraw/zinc/01/15/93/399011593.db2.gz FXZIUNIOHLCPKC-UHFFFAOYSA-N 1 1 323.396 2.542 50 30 DFEAMO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000282125261 216760718 /nfs/dbraw/zinc/76/07/18/216760718.db2.gz JSBIYKTXMPJOFZ-IEBWSBKVSA-N 1 1 308.381 2.875 50 30 DFEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1cccnc1 ZINC000019882201 182159733 /nfs/dbraw/zinc/15/97/33/182159733.db2.gz PFCHUNNJCHVNQV-HEHNFIMWSA-N 1 1 308.429 2.932 50 30 DFEAMO COc1ccccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000023749305 182368273 /nfs/dbraw/zinc/36/82/73/182368273.db2.gz BDHTYQFBEOERRD-UHFFFAOYSA-N 1 1 307.397 2.889 50 30 DFEAMO N#CC1(C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCC1 ZINC000056302452 184009810 /nfs/dbraw/zinc/00/98/10/184009810.db2.gz YMEGSZXYOZWOHH-UHFFFAOYSA-N 1 1 317.458 2.519 50 30 DFEAMO C=CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)C1CCCC1 ZINC000077206176 542477814 /nfs/dbraw/zinc/47/78/14/542477814.db2.gz XTJVWGSKDWVAJH-UHFFFAOYSA-N 1 1 303.431 2.995 50 30 DFEAMO C[C@]([NH2+]Cc1cccc(C#N)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000177404587 256590133 /nfs/dbraw/zinc/59/01/33/256590133.db2.gz ANNBYCWFEPYCNC-QGZVFWFLSA-N 1 1 313.788 2.702 50 30 DFEAMO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000328631462 257263827 /nfs/dbraw/zinc/26/38/27/257263827.db2.gz QZHKPACEVKQOLQ-LBPRGKRZSA-N 1 1 315.402 2.871 50 30 DFEAMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000328631462 257263828 /nfs/dbraw/zinc/26/38/28/257263828.db2.gz QZHKPACEVKQOLQ-LBPRGKRZSA-N 1 1 315.402 2.871 50 30 DFEAMO C#CC[N@H+](Cc1cccc(C(N)=O)c1)[C@@H]1CCc2ccccc21 ZINC000052846013 425885937 /nfs/dbraw/zinc/88/59/37/425885937.db2.gz CJPDNXVDHAWYMQ-LJQANCHMSA-N 1 1 304.393 2.908 50 30 DFEAMO C=CCc1cc(C[N@H+]2CCC(=O)NC[C@H]2C)ccc1OCC ZINC000055227451 425892602 /nfs/dbraw/zinc/89/26/02/425892602.db2.gz AZZSPTMMEMZYNX-CQSZACIVSA-N 1 1 302.418 2.524 50 30 DFEAMO C[NH+]1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000000369689 425556322 /nfs/dbraw/zinc/55/63/22/425556322.db2.gz YKTGLPHPYRTGRT-HMMYKYKNSA-N 1 1 309.413 2.847 50 30 DFEAMO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccco1 ZINC000009741680 425693494 /nfs/dbraw/zinc/69/34/94/425693494.db2.gz ZXBXVWAKVINYMB-JTQLQIEISA-N 1 1 315.398 2.991 50 30 DFEAMO CN(C)c1ccc(/C=[NH+]/NC(=S)NCc2ccccc2)cc1 ZINC000013479014 425755693 /nfs/dbraw/zinc/75/56/93/425755693.db2.gz INQPNHFKCIHJTC-CPNJWEJPSA-N 1 1 312.442 2.751 50 30 DFEAMO C[C@@H](CNC(=O)Nc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000045956189 425863452 /nfs/dbraw/zinc/86/34/52/425863452.db2.gz OWVLSYWOKFDDNO-KBPBESRZSA-N 1 1 300.406 2.943 50 30 DFEAMO C=C(C)C[N@H+](CC)C[C@@H](O)COc1cccc(C(=O)OCC)c1 ZINC000046444514 425864982 /nfs/dbraw/zinc/86/49/82/425864982.db2.gz LYJFMPYJRCJVPP-MRXNPFEDSA-N 1 1 321.417 2.501 50 30 DFEAMO C=CC[N@H+](C[C@@H](C)O)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146675 425845056 /nfs/dbraw/zinc/84/50/56/425845056.db2.gz ZGJVNCWXLWTILY-DOMZBBRYSA-N 1 1 308.809 2.702 50 30 DFEAMO C=C(Cl)C[NH+]1CCC(C(=O)NCCc2ccccc2F)CC1 ZINC000047936632 425872358 /nfs/dbraw/zinc/87/23/58/425872358.db2.gz DHKVHPWFTFHZFT-UHFFFAOYSA-N 1 1 324.827 2.949 50 30 DFEAMO Cc1cccc(N2CC[N@@H+](CCCSCC#N)[C@@H](C)C2)n1 ZINC000107147147 425984690 /nfs/dbraw/zinc/98/46/90/425984690.db2.gz PNHXYBTWFMLICC-HNNXBMFYSA-N 1 1 304.463 2.547 50 30 DFEAMO N#Cc1ccccc1C[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000071852352 425995315 /nfs/dbraw/zinc/99/53/15/425995315.db2.gz YNGGXWDFKDTZOQ-UHFFFAOYSA-N 1 1 311.429 2.783 50 30 DFEAMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)NC(C)(C)C)C1 ZINC000071915926 426004107 /nfs/dbraw/zinc/00/41/07/426004107.db2.gz BUHBIWCJLCVYGB-OLZOCXBDSA-N 1 1 301.862 2.937 50 30 DFEAMO Cc1ccccc1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1 ZINC000070641595 425973685 /nfs/dbraw/zinc/97/36/85/425973685.db2.gz MAOPDBDTJUSKOW-UHFFFAOYSA-N 1 1 318.420 2.787 50 30 DFEAMO Cc1ccccc1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1 ZINC000070641595 425973686 /nfs/dbraw/zinc/97/36/86/425973686.db2.gz MAOPDBDTJUSKOW-UHFFFAOYSA-N 1 1 318.420 2.787 50 30 DFEAMO C[C@@H]1C[N@H+](CCCCNc2cccc(F)c2C#N)C[C@H](C)O1 ZINC000075109711 426062801 /nfs/dbraw/zinc/06/28/01/426062801.db2.gz QRTWPQJYRVFARR-OKILXGFUSA-N 1 1 305.397 2.999 50 30 DFEAMO C=CCC[C@@H](C[N@H+]1CCCOCC1)Oc1ncc(Cl)cn1 ZINC000072410914 426015746 /nfs/dbraw/zinc/01/57/46/426015746.db2.gz ZRSJEQVWQDHYLD-AWEZNQCLSA-N 1 1 311.813 2.566 50 30 DFEAMO C=C(Br)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000095981801 426382333 /nfs/dbraw/zinc/38/23/33/426382333.db2.gz GTRHWPZIKJTETA-UHFFFAOYSA-N 1 1 303.244 2.570 50 30 DFEAMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000096419619 426419386 /nfs/dbraw/zinc/41/93/86/426419386.db2.gz PANLMTNGAHZJGA-BBWFWOEESA-N 1 1 300.402 2.682 50 30 DFEAMO CC[N@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000096483150 426432930 /nfs/dbraw/zinc/43/29/30/426432930.db2.gz CVQQHVQJOFLAEE-QGZVFWFLSA-N 1 1 309.369 2.779 50 30 DFEAMO CC[N@@H+](Cc1ccoc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000096483150 426432934 /nfs/dbraw/zinc/43/29/34/426432934.db2.gz CVQQHVQJOFLAEE-QGZVFWFLSA-N 1 1 309.369 2.779 50 30 DFEAMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000096496430 426436477 /nfs/dbraw/zinc/43/64/77/426436477.db2.gz IVZCBADXBDQNET-YPMHNXCESA-N 1 1 323.234 2.914 50 30 DFEAMO N#Cc1c(N2CC[NH+](Cc3cccs3)CC2)nc2ccccn12 ZINC000097082351 426446095 /nfs/dbraw/zinc/44/60/95/426446095.db2.gz KHOTYUUAQZLJSY-UHFFFAOYSA-N 1 1 323.425 2.590 50 30 DFEAMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229720334 426638442 /nfs/dbraw/zinc/63/84/42/426638442.db2.gz SROABQGCSYRLFM-SUMDDJOVSA-N 1 1 313.445 2.919 50 30 DFEAMO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CCCC[C@H]32)cc1 ZINC000230100109 426642783 /nfs/dbraw/zinc/64/27/83/426642783.db2.gz KBFJRHJROKBAMP-NVXWUHKLSA-N 1 1 318.442 2.596 50 30 DFEAMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000241644532 426716290 /nfs/dbraw/zinc/71/62/90/426716290.db2.gz PRNWPQPDKWEYGS-BRSBDYLESA-N 1 1 314.429 2.529 50 30 DFEAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000249699155 427138512 /nfs/dbraw/zinc/13/85/12/427138512.db2.gz WSJUVOHQGAGVQE-ZWKOTPCHSA-N 1 1 311.429 2.576 50 30 DFEAMO C[C@@](C#N)(NC(=O)C[N@H+]1CCSC2(CCCCC2)C1)C1CC1 ZINC000096456394 289107409 /nfs/dbraw/zinc/10/74/09/289107409.db2.gz PTJPFDICDHEPHL-INIZCTEOSA-N 1 1 321.490 2.547 50 30 DFEAMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000089340311 332066736 /nfs/dbraw/zinc/06/67/36/332066736.db2.gz YGSPKDLYMKTCNC-INIZCTEOSA-N 1 1 303.381 2.725 50 30 DFEAMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000022936359 519034129 /nfs/dbraw/zinc/03/41/29/519034129.db2.gz ZEURBSPWAZNIKX-INIZCTEOSA-N 1 1 304.434 2.834 50 30 DFEAMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC000022936359 519034137 /nfs/dbraw/zinc/03/41/37/519034137.db2.gz ZEURBSPWAZNIKX-INIZCTEOSA-N 1 1 304.434 2.834 50 30 DFEAMO C[C@@](C#N)(NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)C1CC1 ZINC000058217907 525737669 /nfs/dbraw/zinc/73/76/69/525737669.db2.gz DMKMPEMNQUVXEG-QUCCMNQESA-N 1 1 323.440 2.947 50 30 DFEAMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1)C1CC1 ZINC000328637259 526493537 /nfs/dbraw/zinc/49/35/37/526493537.db2.gz ONICFFFUKLVIFY-HNNXBMFYSA-N 1 1 303.431 2.595 50 30 DFEAMO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1)C1CC1 ZINC000328654713 526494501 /nfs/dbraw/zinc/49/45/01/526494501.db2.gz XRXQCQLQERMSBY-AWEZNQCLSA-N 1 1 303.431 2.595 50 30 DFEAMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C#N)c1ccc(F)cc1F ZINC000068402121 527393465 /nfs/dbraw/zinc/39/34/65/527393465.db2.gz 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ZINC000328645983 398568542 /nfs/dbraw/zinc/56/85/42/398568542.db2.gz ZXDZZWRBVLRWMX-OAHLLOKOSA-N 1 1 320.418 2.826 50 30 DFEAMO CC(C)[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000072294847 398614677 /nfs/dbraw/zinc/61/46/77/398614677.db2.gz XUOXUIVORLZZKS-GOSISDBHSA-N 1 1 302.418 2.964 50 30 DFEAMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000072161587 191062383 /nfs/dbraw/zinc/06/23/83/191062383.db2.gz DMVROCIHYKNIHN-GOSISDBHSA-N 1 1 311.429 2.925 50 30 DFEAMO N#Cc1ccccc1C[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000047774927 283213582 /nfs/dbraw/zinc/21/35/82/283213582.db2.gz PQOIQHAXEKZFIW-QZTJIDSGSA-N 1 1 300.402 2.718 50 30 DFEAMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281574265 216393018 /nfs/dbraw/zinc/39/30/18/216393018.db2.gz ZGEMUOAQINGELQ-RCCFBDPRSA-N 1 1 314.429 2.953 50 30 DFEAMO CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1c1ccc(C)o1 ZINC000091906725 193124531 /nfs/dbraw/zinc/12/45/31/193124531.db2.gz GDNWJWMGHLQXGS-QZTJIDSGSA-N 1 1 323.396 2.564 50 30 DFEAMO C#CCOc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000093455506 193254044 /nfs/dbraw/zinc/25/40/44/193254044.db2.gz KQQHDZHGYYHBRZ-FQEVSTJZSA-N 1 1 307.393 2.790 50 30 DFEAMO COc1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771333 182145054 /nfs/dbraw/zinc/14/50/54/182145054.db2.gz NNHGAOHCBSGGOY-HMMYKYKNSA-N 1 1 309.413 2.847 50 30 DFEAMO C/C(=N\N1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccncc1 ZINC000019791120 182148814 /nfs/dbraw/zinc/14/88/14/182148814.db2.gz PEEMNJDSLAMIJK-HEHNFIMWSA-N 1 1 308.429 2.932 50 30 DFEAMO OCCC#Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000065382326 184332523 /nfs/dbraw/zinc/33/25/23/184332523.db2.gz CADCOQAKHOZVCM-PMACEKPBSA-N 1 1 313.441 2.548 50 30 DFEAMO N#Cc1ccc(NC[C@H]2CC[N@@H+](CCOc3ccccc3)C2)nc1 ZINC000065512161 184357267 /nfs/dbraw/zinc/35/72/67/184357267.db2.gz SEZFYHSDZHECGO-QGZVFWFLSA-N 1 1 322.412 2.766 50 30 DFEAMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000328626760 257263553 /nfs/dbraw/zinc/26/35/53/257263553.db2.gz MBBVKDZDLSYVHA-CYBMUJFWSA-N 1 1 315.402 2.871 50 30 DFEAMO COCC1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC1 ZINC000328586263 257265775 /nfs/dbraw/zinc/26/57/75/257265775.db2.gz IXMBAFIHSPJFBC-UHFFFAOYSA-N 1 1 323.481 2.667 50 30 DFEAMO C#CC[N@H+](Cc1cccc(C(N)=O)c1)[C@H]1CCc2ccccc21 ZINC000052846014 425885951 /nfs/dbraw/zinc/88/59/51/425885951.db2.gz CJPDNXVDHAWYMQ-IBGZPJMESA-N 1 1 304.393 2.908 50 30 DFEAMO CC(=O)OC(C)(C)C#CC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000055236084 425892694 /nfs/dbraw/zinc/89/26/94/425892694.db2.gz GNWAMRKWTSNQHE-KRWDZBQOSA-N 1 1 300.402 2.954 50 30 DFEAMO COc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000057350657 425896528 /nfs/dbraw/zinc/89/65/28/425896528.db2.gz FFJKEXGTKDKRLC-UHFFFAOYSA-N 1 1 307.397 2.889 50 30 DFEAMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000067804392 425913425 /nfs/dbraw/zinc/91/34/25/425913425.db2.gz VXXCZJCMBUDSNW-OAHLLOKOSA-N 1 1 322.412 2.528 50 30 DFEAMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(OC)cc1OC ZINC000001878910 425587148 /nfs/dbraw/zinc/58/71/48/425587148.db2.gz MQDBYDXONIDLKY-UHFFFAOYSA-N 1 1 306.406 2.930 50 30 DFEAMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000030273457 425831233 /nfs/dbraw/zinc/83/12/33/425831233.db2.gz JYAJTIQUNJTQJF-UHFFFAOYSA-N 1 1 317.408 2.776 50 30 DFEAMO CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030882512 425832651 /nfs/dbraw/zinc/83/26/51/425832651.db2.gz DMOOBRRWJCJCQH-SQNIBIBYSA-N 1 1 317.477 2.919 50 30 biogenic,in-vitro DFEAMO C=CC[N@H+]1C[C@@H](C(=O)OC)C[C@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000049582166 425879900 /nfs/dbraw/zinc/87/99/00/425879900.db2.gz IACRGBGBDYCBKO-JLJPHGGASA-N 1 1 310.397 2.857 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1 ZINC000071873528 425997629 /nfs/dbraw/zinc/99/76/29/425997629.db2.gz PFASRKXUUHDSDE-UHFFFAOYSA-N 1 1 317.396 2.537 50 30 DFEAMO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000071875112 425998019 /nfs/dbraw/zinc/99/80/19/425998019.db2.gz VHWXEHBNEQLVPW-INIZCTEOSA-N 1 1 309.417 2.679 50 30 DFEAMO COc1cc2c(cc1OC)C[N@@H+](CCCSCC#N)CC2 ZINC000074981313 426059639 /nfs/dbraw/zinc/05/96/39/426059639.db2.gz FLQDKTXDQIWPAP-UHFFFAOYSA-N 1 1 306.431 2.709 50 30 DFEAMO C[N@@H+](CCCCC#N)C[C@@H](c1cccs1)N1CCOCC1 ZINC000075603883 426078539 /nfs/dbraw/zinc/07/85/39/426078539.db2.gz SBAPMYXEMPQNAB-HNNXBMFYSA-N 1 1 307.463 2.747 50 30 DFEAMO C=CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC)cc2F)C1 ZINC000096139435 426400056 /nfs/dbraw/zinc/40/00/56/426400056.db2.gz CBGQSLOPUARXMD-ZDUSSCGKSA-N 1 1 321.396 2.854 50 30 DFEAMO Cc1cc(C)c(C#N)c(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)n1 ZINC000091503744 426342202 /nfs/dbraw/zinc/34/22/02/426342202.db2.gz GVLBVLIJCQBHAY-IAGOWNOFSA-N 1 1 310.445 2.881 50 30 DFEAMO C#CCn1cc(C[N@@H+](C)Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000097034021 426440342 /nfs/dbraw/zinc/44/03/42/426440342.db2.gz MWLNQFMLIYTBFS-UHFFFAOYSA-N 1 1 319.412 2.549 50 30 DFEAMO C#CCn1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccccc2)cn1 ZINC000097034021 426440346 /nfs/dbraw/zinc/44/03/46/426440346.db2.gz MWLNQFMLIYTBFS-UHFFFAOYSA-N 1 1 319.412 2.549 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c(F)c1 ZINC000225519146 426603662 /nfs/dbraw/zinc/60/36/62/426603662.db2.gz IDVDSTQUFMNKLL-QGZVFWFLSA-N 1 1 311.360 2.883 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c(F)c1 ZINC000225519146 426603670 /nfs/dbraw/zinc/60/36/70/426603670.db2.gz IDVDSTQUFMNKLL-QGZVFWFLSA-N 1 1 311.360 2.883 50 30 DFEAMO CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1ccc(C#N)cc1 ZINC000249699153 427137193 /nfs/dbraw/zinc/13/71/93/427137193.db2.gz WSJUVOHQGAGVQE-QZTJIDSGSA-N 1 1 311.429 2.576 50 30 DFEAMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ncccc1C#N ZINC000252676494 427192973 /nfs/dbraw/zinc/19/29/73/427192973.db2.gz XGGQGEOVFNGGCF-RHSMWYFYSA-N 1 1 307.401 2.671 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cc1 ZINC000257182943 427308253 /nfs/dbraw/zinc/30/82/53/427308253.db2.gz QMOXTIZHMJLCIC-MSOLQXFVSA-N 1 1 311.429 2.829 50 30 DFEAMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C#N)c1 ZINC000106138010 274218496 /nfs/dbraw/zinc/21/84/96/274218496.db2.gz FPWGMJQFHGZLAC-KBPBESRZSA-N 1 1 300.406 2.800 50 30 DFEAMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC000067688978 518587704 /nfs/dbraw/zinc/58/77/04/518587704.db2.gz CPHGFYLJGIHNMI-OAHLLOKOSA-N 1 1 318.465 2.649 50 30 DFEAMO C=CCOC[C@@H](O)C[N@H+](CCCOC)Cc1cc(C)ccc1C ZINC000036097407 518983197 /nfs/dbraw/zinc/98/31/97/518983197.db2.gz KVGYCZNZXTUUEF-IBGZPJMESA-N 1 1 321.461 2.705 50 30 DFEAMO C=CCc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000016247752 519137476 /nfs/dbraw/zinc/13/74/76/519137476.db2.gz JUXXSMUBYNMCER-GASCZTMLSA-N 1 1 305.418 2.912 50 30 DFEAMO C=CCc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000016247752 519137484 /nfs/dbraw/zinc/13/74/84/519137484.db2.gz JUXXSMUBYNMCER-GASCZTMLSA-N 1 1 305.418 2.912 50 30 DFEAMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C#CCO)s1 ZINC000055226017 523767641 /nfs/dbraw/zinc/76/76/41/523767641.db2.gz XQBQKPQJGLHHFZ-UHFFFAOYSA-N 1 1 321.467 2.802 50 30 DFEAMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1(C#N)CCC1 ZINC000058853370 523895469 /nfs/dbraw/zinc/89/54/69/523895469.db2.gz VKJQZZLGMXAHNO-QGZVFWFLSA-N 1 1 311.429 2.803 50 30 DFEAMO Cc1ccccc1OCC(=O)ONC(=[NH2+])c1ccc(Cl)cc1 ZINC000004685145 525281140 /nfs/dbraw/zinc/28/11/40/525281140.db2.gz RWHVSFLCMRPRRB-UHFFFAOYSA-N 1 1 318.760 2.891 50 30 DFEAMO C[C@H](C(=O)N1CCCC1)[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000252488686 398419760 /nfs/dbraw/zinc/41/97/60/398419760.db2.gz IWYDTDOQBMXOEV-MRXNPFEDSA-N 1 1 311.429 2.555 50 30 DFEAMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2cc(C#N)ccn2)CC1 ZINC000328586341 530005219 /nfs/dbraw/zinc/00/52/19/530005219.db2.gz FRDZQVIRPZDVQN-SFHVURJKSA-N 1 1 321.428 2.839 50 30 DFEAMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)n1 ZINC000069519374 398573976 /nfs/dbraw/zinc/57/39/76/398573976.db2.gz RAHAFBKPHZBRAQ-MRXNPFEDSA-N 1 1 313.380 2.570 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)n1 ZINC000069629817 398578763 /nfs/dbraw/zinc/57/87/63/398578763.db2.gz CSULIBXSDMJTPM-INIZCTEOSA-N 1 1 313.380 2.570 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)n1 ZINC000069629817 398578767 /nfs/dbraw/zinc/57/87/67/398578767.db2.gz CSULIBXSDMJTPM-INIZCTEOSA-N 1 1 313.380 2.570 50 30 DFEAMO COC(=O)C[C@H]1CSCC[N@H+]1[C@H](C)c1cccc(C#N)c1 ZINC000189925420 186250282 /nfs/dbraw/zinc/25/02/82/186250282.db2.gz HQCXLANSBQXTAL-DOMZBBRYSA-N 1 1 304.415 2.600 50 30 DFEAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000225597401 186281370 /nfs/dbraw/zinc/28/13/70/186281370.db2.gz NVMNENNFIPGFJG-HNNXBMFYSA-N 1 1 311.345 2.640 50 30 DFEAMO CC(C)C[N@H+]1CC[C@@H](Cn2cc(-c3cccc(C#N)c3)nn2)C1 ZINC000091695363 193093314 /nfs/dbraw/zinc/09/33/14/193093314.db2.gz GBSLBOILWSDVHE-MRXNPFEDSA-N 1 1 309.417 2.795 50 30 DFEAMO C=CCN1CC2(CCC1=O)CC[NH+](Cc1cscn1)CC2 ZINC000091817862 193111869 /nfs/dbraw/zinc/11/18/69/193111869.db2.gz DJHSJUJBZITBFN-UHFFFAOYSA-N 1 1 305.447 2.534 50 30 DFEAMO Cc1ccc(C[NH+]2CCN(/N=C/c3ccccc3O)CC2)cc1 ZINC000019833138 182155018 /nfs/dbraw/zinc/15/50/18/182155018.db2.gz HDSKNFJOPFFJER-XSFVSMFZSA-N 1 1 309.413 2.852 50 30 DFEAMO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000021579372 182280556 /nfs/dbraw/zinc/28/05/56/182280556.db2.gz CHYVGKHNNNBCJV-LBPRGKRZSA-N 1 1 314.414 2.827 50 30 DFEAMO C[C@H]1c2cccn2CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000021579372 182280558 /nfs/dbraw/zinc/28/05/58/182280558.db2.gz CHYVGKHNNNBCJV-LBPRGKRZSA-N 1 1 314.414 2.827 50 30 DFEAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000022027882 182304795 /nfs/dbraw/zinc/30/47/95/182304795.db2.gz GKZGSDNXFXCJTK-UHFFFAOYSA-N 1 1 319.408 2.537 50 30 DFEAMO COc1ccc(CC[N@H+](C)C[C@H](C#N)CCC#N)cc1OC ZINC000058170505 184084034 /nfs/dbraw/zinc/08/40/34/184084034.db2.gz VWSRULHGTBYXFE-HNNXBMFYSA-N 1 1 301.390 2.622 50 30 DFEAMO COc1ccc(CC[N@@H+](C)C[C@H](C#N)CCC#N)cc1OC ZINC000058170505 184084036 /nfs/dbraw/zinc/08/40/36/184084036.db2.gz VWSRULHGTBYXFE-HNNXBMFYSA-N 1 1 301.390 2.622 50 30 DFEAMO Cc1c(C[N@H+](C)Cc2ccc(C#CC(C)(C)O)s2)cnn1C ZINC000065403604 184337434 /nfs/dbraw/zinc/33/74/34/184337434.db2.gz BEZGPDSIPNCKOK-UHFFFAOYSA-N 1 1 317.458 2.544 50 30 DFEAMO Cc1c(C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)s2)cnn1C ZINC000065403604 184337435 /nfs/dbraw/zinc/33/74/35/184337435.db2.gz BEZGPDSIPNCKOK-UHFFFAOYSA-N 1 1 317.458 2.544 50 30 DFEAMO N#Cc1cccnc1NC[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000065512458 184357466 /nfs/dbraw/zinc/35/74/66/184357466.db2.gz AABKWOFDJGKLMX-AWEZNQCLSA-N 1 1 312.442 2.991 50 30 DFEAMO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000155595403 197070252 /nfs/dbraw/zinc/07/02/52/197070252.db2.gz VBTLFMPLKSDVBL-CDVVCGDMSA-N 1 1 319.412 2.572 50 30 DFEAMO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccccc1 ZINC000155595403 197070253 /nfs/dbraw/zinc/07/02/53/197070253.db2.gz VBTLFMPLKSDVBL-CDVVCGDMSA-N 1 1 319.412 2.572 50 30 DFEAMO C[C@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C1CCCC1)C1CC1 ZINC000052077042 542447122 /nfs/dbraw/zinc/44/71/22/542447122.db2.gz 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CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000069484263 425942425 /nfs/dbraw/zinc/94/24/25/425942425.db2.gz AHCIFKKENZLTDD-CABCVRRESA-N 1 1 304.438 2.541 50 30 DFEAMO C[C@H](c1ccncc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000069780103 425958313 /nfs/dbraw/zinc/95/83/13/425958313.db2.gz FLIUMUHTXMAANT-CQSZACIVSA-N 1 1 310.376 2.976 50 30 DFEAMO COCc1nccc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000089420464 426289906 /nfs/dbraw/zinc/28/99/06/426289906.db2.gz XUWYMMVNNUCNCR-KRWDZBQOSA-N 1 1 322.412 2.874 50 30 DFEAMO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000090004115 426323808 /nfs/dbraw/zinc/32/38/08/426323808.db2.gz LRIICVMZGFRQKH-CQSZACIVSA-N 1 1 312.392 2.886 50 30 DFEAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000090004115 426323810 /nfs/dbraw/zinc/32/38/10/426323810.db2.gz LRIICVMZGFRQKH-CQSZACIVSA-N 1 1 312.392 2.886 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)o1 ZINC000095982826 426382286 /nfs/dbraw/zinc/38/22/86/426382286.db2.gz UZMJHRODXFPFGD-CQSZACIVSA-N 1 1 315.417 2.812 50 30 DFEAMO N#Cc1ccc2ncc(CN[C@H]3CC[N@@H+](CC4CCCC4)C3)n2c1 ZINC000095990112 426384298 /nfs/dbraw/zinc/38/42/98/426384298.db2.gz WLKFDEWIRUKMIA-KRWDZBQOSA-N 1 1 323.444 2.560 50 30 DFEAMO N#Cc1ccc2ncc(C[NH2+][C@H]3CCN(CC4CCCC4)C3)n2c1 ZINC000095990112 426384301 /nfs/dbraw/zinc/38/43/01/426384301.db2.gz WLKFDEWIRUKMIA-KRWDZBQOSA-N 1 1 323.444 2.560 50 30 DFEAMO C[N@H+]1CCC[C@H](CNc2nccnc2C#N)[C@@H]1c1cccs1 ZINC000096429609 426422687 /nfs/dbraw/zinc/42/26/87/426422687.db2.gz IPGBCWNIXGKCEN-IUODEOHRSA-N 1 1 313.430 2.905 50 30 DFEAMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1O ZINC000100326584 426482008 /nfs/dbraw/zinc/48/20/08/426482008.db2.gz XPAQFSQEBYBBHR-QRLRYFCNSA-N 1 1 300.280 2.895 50 30 DFEAMO N#Cc1ccccc1C(=O)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000222656611 426584452 /nfs/dbraw/zinc/58/44/52/426584452.db2.gz DMJZSWHYWAAQTC-OAHLLOKOSA-N 1 1 311.429 2.943 50 30 DFEAMO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2C#N)c1 ZINC000225728325 426610041 /nfs/dbraw/zinc/61/00/41/426610041.db2.gz QDIDLWMTRPKQMY-HKUYNNGSSA-N 1 1 308.381 2.875 50 30 DFEAMO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2C#N)c1 ZINC000225728325 426610044 /nfs/dbraw/zinc/61/00/44/426610044.db2.gz QDIDLWMTRPKQMY-HKUYNNGSSA-N 1 1 308.381 2.875 50 30 DFEAMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000275571124 426873284 /nfs/dbraw/zinc/87/32/84/426873284.db2.gz GUNHOYZDLXUOHD-GOSISDBHSA-N 1 1 306.413 2.912 50 30 DFEAMO C=CC[N@H+](C[C@@H](O)CCC)C[C@H]1CC(c2ccccc2)=NO1 ZINC000248182209 426987107 /nfs/dbraw/zinc/98/71/07/426987107.db2.gz ZGOWRQGISPDUBZ-DLBZAZTESA-N 1 1 302.418 2.829 50 30 DFEAMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000252671640 427193082 /nfs/dbraw/zinc/19/30/82/427193082.db2.gz NVXHJZLUKJMEAM-CJNGLKHVSA-N 1 1 300.406 2.895 50 30 DFEAMO CCc1nc(CON=C(N)C[N@@H+]2[C@H](C)CCC[C@@H]2C)cs1 ZINC000253431041 427212508 /nfs/dbraw/zinc/21/25/08/427212508.db2.gz STGPTGPMKLMNTQ-TXEJJXNPSA-N 1 1 310.467 2.757 50 30 DFEAMO CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000344732001 428699935 /nfs/dbraw/zinc/69/99/35/428699935.db2.gz VWUBUHDQUKGSMP-OALUTQOASA-N 1 1 322.408 2.807 50 30 DFEAMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000082138140 521298832 /nfs/dbraw/zinc/29/88/32/521298832.db2.gz RQFXBLKOZZKCOT-AWEZNQCLSA-N 1 1 304.390 2.940 50 30 DFEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2cccc(C)c2C)c1 ZINC000004906820 524150342 /nfs/dbraw/zinc/15/03/42/524150342.db2.gz RZUDXROJFGILIX-UHFFFAOYSA-N 1 1 312.369 2.854 50 30 DFEAMO C[C@](C#N)(NC(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)C1CC1 ZINC000058217906 525135343 /nfs/dbraw/zinc/13/53/43/525135343.db2.gz DMKMPEMNQUVXEG-UYAOXDASSA-N 1 1 323.440 2.947 50 30 DFEAMO C#C[C@]1(O)CC[C@@H]2[N@H+]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C ZINC000000000259 398345391 /nfs/dbraw/zinc/34/53/91/398345391.db2.gz NTHOJXSFNBUDMY-HAGHYFMRSA-N 1 1 311.425 2.921 50 30 DFEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000006492942 398355444 /nfs/dbraw/zinc/35/54/44/398355444.db2.gz VJFMSYZSFUWQPZ-MTZMYHNQSA-N 1 1 310.397 2.870 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)n1 ZINC000069596012 398577811 /nfs/dbraw/zinc/57/78/11/398577811.db2.gz KFQKQJQAHRDFEJ-SFHVURJKSA-N 1 1 309.417 2.821 50 30 DFEAMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CCN2CCCC2=O)c1 ZINC000072139091 191048402 /nfs/dbraw/zinc/04/84/02/191048402.db2.gz METLXELXSDNPNK-SFHVURJKSA-N 1 1 311.429 2.925 50 30 DFEAMO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H](C)c1cccc(C#N)c1 ZINC000189925406 186250420 /nfs/dbraw/zinc/25/04/20/186250420.db2.gz HQCXLANSBQXTAL-WFASDCNBSA-N 1 1 304.415 2.600 50 30 DFEAMO C[C@@]1(CO)CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097233237 398665906 /nfs/dbraw/zinc/66/59/06/398665906.db2.gz IUPINMLBOHECKR-OAHLLOKOSA-N 1 1 323.234 2.915 50 30 DFEAMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000097233237 398665910 /nfs/dbraw/zinc/66/59/10/398665910.db2.gz IUPINMLBOHECKR-OAHLLOKOSA-N 1 1 323.234 2.915 50 30 DFEAMO CC(C)c1[nH+]ccn1CC(=O)N(C)Cc1cc(C#N)ccc1F ZINC000097236165 398667150 /nfs/dbraw/zinc/66/71/50/398667150.db2.gz KEOQWGQLKKONMZ-UHFFFAOYSA-N 1 1 314.364 2.676 50 30 DFEAMO C[N@H+](CCOc1ccccc1)CC(=O)Nc1cccc(C#N)c1 ZINC000003428584 181018089 /nfs/dbraw/zinc/01/80/89/181018089.db2.gz TYADSDLZWCLQEI-UHFFFAOYSA-N 1 1 309.369 2.508 50 30 DFEAMO C[N@@H+](CCOc1ccccc1)CC(=O)Nc1cccc(C#N)c1 ZINC000003428584 181018092 /nfs/dbraw/zinc/01/80/92/181018092.db2.gz TYADSDLZWCLQEI-UHFFFAOYSA-N 1 1 309.369 2.508 50 30 DFEAMO C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](C)CC2)c1 ZINC000004142591 181078575 /nfs/dbraw/zinc/07/85/75/181078575.db2.gz NWIWWLHFFHSQCB-UHFFFAOYSA-N 1 1 301.434 2.912 50 30 DFEAMO [NH2+]=C(NOC(=O)c1ccccc1Br)c1ccccc1 ZINC000004170080 181081329 /nfs/dbraw/zinc/08/13/29/181081329.db2.gz SODRUBBVJKOOBY-UHFFFAOYSA-N 1 1 319.158 2.926 50 30 DFEAMO N#Cc1cc2c(nc1N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000077555540 283116167 /nfs/dbraw/zinc/11/61/67/283116167.db2.gz RAPPDCBABQGPMR-AWEZNQCLSA-N 1 1 307.401 2.939 50 30 DFEAMO Cc1cccc(N2CC[N@@H+](CCCSCC#N)[C@H](C)C2)n1 ZINC000074990993 398779275 /nfs/dbraw/zinc/77/92/75/398779275.db2.gz PNHXYBTWFMLICC-OAHLLOKOSA-N 1 1 304.463 2.547 50 30 DFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)cc1C)[C@@H](C)CC ZINC000169677157 398997204 /nfs/dbraw/zinc/99/72/04/398997204.db2.gz VWTHCGWRMRWKSY-PKOBYXMFSA-N 1 1 303.446 2.915 50 30 DFEAMO N#CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019229901 182108784 /nfs/dbraw/zinc/10/87/84/182108784.db2.gz SGVXWYLWBLENCP-UHFFFAOYSA-N 1 1 319.408 2.834 50 30 DFEAMO O=[N+]([O-])c1ccccc1/C=N/N1CC[NH+](Cc2ccccc2)CC1 ZINC000019771476 182145087 /nfs/dbraw/zinc/14/50/87/182145087.db2.gz VKBQZSAOIDUDJG-XMHGGMMESA-N 1 1 324.384 2.747 50 30 DFEAMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C/c1ccccc1 ZINC000155595517 197070499 /nfs/dbraw/zinc/07/04/99/197070499.db2.gz VBTLFMPLKSDVBL-WHWKNOJMSA-N 1 1 319.412 2.572 50 30 DFEAMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C/c1ccccc1 ZINC000155595517 197070500 /nfs/dbraw/zinc/07/05/00/197070500.db2.gz VBTLFMPLKSDVBL-WHWKNOJMSA-N 1 1 319.412 2.572 50 30 DFEAMO C[N@H+]1CC[C@@H](CNC(=O)c2cncc(F)c2)[C@@H]1c1cccnc1 ZINC000328628119 257263394 /nfs/dbraw/zinc/26/33/94/257263394.db2.gz NIINPWAKALLHQJ-BBRMVZONSA-N 1 1 314.364 2.613 50 30 DFEAMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000328626761 257263807 /nfs/dbraw/zinc/26/38/07/257263807.db2.gz MBBVKDZDLSYVHA-ZDUSSCGKSA-N 1 1 315.402 2.871 50 30 DFEAMO Cc1nc(C#N)c(NC[C@H](c2ccc(F)cc2F)[NH+](C)C)o1 ZINC000238950511 542910663 /nfs/dbraw/zinc/91/06/63/542910663.db2.gz YKNKJKKAHBVFMR-CQSZACIVSA-N 1 1 306.316 2.848 50 30 DFEAMO N#CCCCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000053100881 425886902 /nfs/dbraw/zinc/88/69/02/425886902.db2.gz SRGVPKUSRQGJKO-UHFFFAOYSA-N 1 1 307.825 2.640 50 30 DFEAMO N#CCCC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000053100881 425886903 /nfs/dbraw/zinc/88/69/03/425886903.db2.gz SRGVPKUSRQGJKO-UHFFFAOYSA-N 1 1 307.825 2.640 50 30 DFEAMO C[NH+]1CCN(/N=C/c2nc(-c3ccccc3)n3ccccc23)CC1 ZINC000000079320 425534332 /nfs/dbraw/zinc/53/43/32/425534332.db2.gz TXVWKSXCWUWSAR-HMMYKYKNSA-N 1 1 319.412 2.583 50 30 DFEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCOc1ccccc1 ZINC000007419159 425643676 /nfs/dbraw/zinc/64/36/76/425643676.db2.gz PBAUFUVAPZRWLA-OAHLLOKOSA-N 1 1 323.396 2.896 50 30 DFEAMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1 ZINC000007419159 425643680 /nfs/dbraw/zinc/64/36/80/425643680.db2.gz PBAUFUVAPZRWLA-OAHLLOKOSA-N 1 1 323.396 2.896 50 30 DFEAMO Cc1cc(C)c(C#N)c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000014140604 425767331 /nfs/dbraw/zinc/76/73/31/425767331.db2.gz NFQSCCOUJQJZCI-UHFFFAOYSA-N 1 1 312.442 2.954 50 30 DFEAMO C=CC[N@H+]1C[C@H](C(=O)OC)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000021985518 425796278 /nfs/dbraw/zinc/79/62/78/425796278.db2.gz IACRGBGBDYCBKO-FRFSOERESA-N 1 1 310.397 2.857 50 30 DFEAMO CC(C)[N@@H+](C)C1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000044979990 425859269 /nfs/dbraw/zinc/85/92/69/425859269.db2.gz HWMFKICZHKKGKS-UHFFFAOYSA-N 1 1 300.406 2.895 50 30 DFEAMO N#Cc1ccc(N2CCC[N@H+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000046086217 425864134 /nfs/dbraw/zinc/86/41/34/425864134.db2.gz HJKRKQAFKMYEHH-HXUWFJFHSA-N 1 1 321.424 2.804 50 30 DFEAMO C=CC[N@H+](C[C@H](C)O)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146674 425845052 /nfs/dbraw/zinc/84/50/52/425845052.db2.gz ZGJVNCWXLWTILY-WFASDCNBSA-N 1 1 308.809 2.702 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000040480203 425851441 /nfs/dbraw/zinc/85/14/41/425851441.db2.gz SXOFEZHZVJZYHV-UHFFFAOYSA-N 1 1 317.396 2.537 50 30 DFEAMO C[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000071842065 425994444 /nfs/dbraw/zinc/99/44/44/425994444.db2.gz WIVIYJUEPVCYQT-CQSZACIVSA-N 1 1 310.401 2.542 50 30 DFEAMO C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000071842065 425994446 /nfs/dbraw/zinc/99/44/46/425994446.db2.gz WIVIYJUEPVCYQT-CQSZACIVSA-N 1 1 310.401 2.542 50 30 DFEAMO [NH2+]=C(NCc1ccco1)NC[C@H](c1cccs1)N1CCCC1 ZINC000072280329 426011608 /nfs/dbraw/zinc/01/16/08/426011608.db2.gz ZOFNKYTXOISFSZ-CQSZACIVSA-N 1 1 318.446 2.583 50 30 DFEAMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000089809534 426310717 /nfs/dbraw/zinc/31/07/17/426310717.db2.gz FBAUWBDITIXIDU-QGZVFWFLSA-N 1 1 323.400 2.837 50 30 DFEAMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000090004100 426324010 /nfs/dbraw/zinc/32/40/10/426324010.db2.gz UVOSXNLLSUMADN-AWEZNQCLSA-N 1 1 312.392 2.886 50 30 DFEAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000090004100 426324012 /nfs/dbraw/zinc/32/40/12/426324012.db2.gz UVOSXNLLSUMADN-AWEZNQCLSA-N 1 1 312.392 2.886 50 30 DFEAMO C[NH+](C)[C@H](C(=O)NCc1ccc(C#N)cc1)c1cccc(F)c1 ZINC000095369665 426369854 /nfs/dbraw/zinc/36/98/54/426369854.db2.gz IHHJCCISCXUYCN-KRWDZBQOSA-N 1 1 311.360 2.616 50 30 DFEAMO C[N@H+]1C[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000230231064 426646511 /nfs/dbraw/zinc/64/65/11/426646511.db2.gz MFPUIRHQZITFOL-RDJZCZTQSA-N 1 1 322.368 2.976 50 30 DFEAMO C[N@H+]1CCCC[C@@H]1CCN1CCN(c2ccccc2C#N)CC1 ZINC000268511571 427039051 /nfs/dbraw/zinc/03/90/51/427039051.db2.gz CIMQEORLMCMLIM-GOSISDBHSA-N 1 1 312.461 2.555 50 30 DFEAMO CC#CC[NH2+][C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 ZINC000182308326 427052411 /nfs/dbraw/zinc/05/24/11/427052411.db2.gz DWRCFBZPWHJXNZ-GOSISDBHSA-N 1 1 313.422 2.792 50 30 DFEAMO Cc1cc(C[N@@H+](C)CCCC(=O)Nc2ccc(C#N)cc2)on1 ZINC000252509112 427184764 /nfs/dbraw/zinc/18/47/64/427184764.db2.gz YCRJOALEBRTQIK-UHFFFAOYSA-N 1 1 312.373 2.705 50 30 DFEAMO N#Cc1ccc(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191672794 427403663 /nfs/dbraw/zinc/40/36/63/427403663.db2.gz OOGSTCLLDYLIFN-UHFFFAOYSA-N 1 1 320.396 2.771 50 30 DFEAMO C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccccc1OC ZINC000036096230 518297903 /nfs/dbraw/zinc/29/79/03/518297903.db2.gz NYSINEFDUYNDSC-SFHVURJKSA-N 1 1 319.445 2.554 50 30 DFEAMO C#CCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098696 518312109 /nfs/dbraw/zinc/31/21/09/518312109.db2.gz FMZMIEXWMHNVGR-GOSISDBHSA-N 1 1 313.397 2.601 50 30 DFEAMO Cc1cccc(C(=[NH2+])NOC(=O)COc2ccc(Cl)cc2)c1 ZINC000013523267 524150878 /nfs/dbraw/zinc/15/08/78/524150878.db2.gz DWOMUHKYCOLTFJ-UHFFFAOYSA-N 1 1 318.760 2.891 50 30 DFEAMO c1cc[n+](NC(=NC2CCCCC2)NC2CCCCC2)cc1 ZINC000004671183 526451577 /nfs/dbraw/zinc/45/15/77/526451577.db2.gz AVRHRVCSQZHTPI-UHFFFAOYSA-N 1 1 301.458 2.938 50 30 DFEAMO N#CCC[C@@H](C#N)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000025304010 526464155 /nfs/dbraw/zinc/46/41/55/526464155.db2.gz FCNLIANGVGHVSL-IBGZPJMESA-N 1 1 321.428 2.510 50 30 DFEAMO N#CCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000025865760 526486295 /nfs/dbraw/zinc/48/62/95/526486295.db2.gz KWQXPCNYKKNIBP-LJQANCHMSA-N 1 1 322.408 2.551 50 30 DFEAMO C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc21 ZINC000000896241 563273053 /nfs/dbraw/zinc/27/30/53/563273053.db2.gz VJFMSYZSFUWQPZ-JSVGYJQLSA-N 1 1 310.397 2.870 50 30 DFEAMO C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N/OC(=O)COc1ccc(Cl)cc1 ZINC000022078676 398415622 /nfs/dbraw/zinc/41/56/22/398415622.db2.gz BHRGAIXACRWESQ-KCSHYBADSA-N 1 1 324.808 2.978 50 30 DFEAMO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)o1 ZINC000071721563 191014975 /nfs/dbraw/zinc/01/49/75/191014975.db2.gz LAZANYJKQXQBOE-CYBMUJFWSA-N 1 1 311.385 2.727 50 30 DFEAMO C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)o1 ZINC000071721563 191014978 /nfs/dbraw/zinc/01/49/78/191014978.db2.gz LAZANYJKQXQBOE-CYBMUJFWSA-N 1 1 311.385 2.727 50 30 DFEAMO Cn1c2c(c(C#N)c1NC(=O)C[NH+]1CCCCCC1)CCCC2 ZINC000004113374 181074828 /nfs/dbraw/zinc/07/48/28/181074828.db2.gz AMXARSUJGGEYIV-UHFFFAOYSA-N 1 1 314.433 2.590 50 30 DFEAMO C[N@H+]1CCC[C@@H](CNc2nccnc2C#N)[C@H]1c1cccs1 ZINC000110627413 398722344 /nfs/dbraw/zinc/72/23/44/398722344.db2.gz IPGBCWNIXGKCEN-WFASDCNBSA-N 1 1 313.430 2.905 50 30 DFEAMO N#CCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000058330823 283052939 /nfs/dbraw/zinc/05/29/39/283052939.db2.gz RGYFLFDJHHRCAY-OAHLLOKOSA-N 1 1 315.392 2.552 50 30 DFEAMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(O)cc3)CC2)cc1 ZINC000019773047 182145097 /nfs/dbraw/zinc/14/50/97/182145097.db2.gz MIWQHVREJZUFBT-ZHZULCJRSA-N 1 1 309.413 2.852 50 30 DFEAMO C/C(=N/N1CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000020082611 182185161 /nfs/dbraw/zinc/18/51/61/182185161.db2.gz KZZOSYSRCJFDSA-SILNSSARSA-N 1 1 309.413 2.934 50 30 DFEAMO C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1 ZINC000058245394 184093912 /nfs/dbraw/zinc/09/39/12/184093912.db2.gz CDJYHRJGIOWFAA-UHFFFAOYSA-N 1 1 323.400 2.557 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000065286735 184321701 /nfs/dbraw/zinc/32/17/01/184321701.db2.gz OOQQEVXJJXNKHU-MRXNPFEDSA-N 1 1 307.401 2.933 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000065286735 184321703 /nfs/dbraw/zinc/32/17/03/184321703.db2.gz OOQQEVXJJXNKHU-MRXNPFEDSA-N 1 1 307.401 2.933 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000065286735 184321706 /nfs/dbraw/zinc/32/17/06/184321706.db2.gz OOQQEVXJJXNKHU-MRXNPFEDSA-N 1 1 307.401 2.933 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000065286733 184322001 /nfs/dbraw/zinc/32/20/01/184322001.db2.gz OOQQEVXJJXNKHU-INIZCTEOSA-N 1 1 307.401 2.933 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000065286733 184322002 /nfs/dbraw/zinc/32/20/02/184322002.db2.gz OOQQEVXJJXNKHU-INIZCTEOSA-N 1 1 307.401 2.933 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1 ZINC000065286733 184322003 /nfs/dbraw/zinc/32/20/03/184322003.db2.gz OOQQEVXJJXNKHU-INIZCTEOSA-N 1 1 307.401 2.933 50 30 DFEAMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155319 257262882 /nfs/dbraw/zinc/26/28/82/257262882.db2.gz ZLJPOYYDNNYJKB-MRXNPFEDSA-N 1 1 315.461 2.799 50 30 DFEAMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155319 257262884 /nfs/dbraw/zinc/26/28/84/257262884.db2.gz ZLJPOYYDNNYJKB-MRXNPFEDSA-N 1 1 315.461 2.799 50 30 DFEAMO C[N@H+]1CC[C@@H](CNC(=O)C2=COCCC2)[C@@H]1c1cccnc1 ZINC000328639233 257263226 /nfs/dbraw/zinc/26/32/26/257263226.db2.gz WTRKADUFQOOLET-HOCLYGCPSA-N 1 1 301.390 2.725 50 30 DFEAMO Cc1ncccc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328619710 257264158 /nfs/dbraw/zinc/26/41/58/257264158.db2.gz GDAMADUGARPGJT-RDJZCZTQSA-N 1 1 310.401 2.783 50 30 DFEAMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CCc3csc(C)n3)C2)n1 ZINC000328621782 257264626 /nfs/dbraw/zinc/26/46/26/257264626.db2.gz HXSXBUAXOSDZSO-CQSZACIVSA-N 1 1 319.434 2.745 50 30 DFEAMO COc1ccc([C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000052827601 425885695 /nfs/dbraw/zinc/88/56/95/425885695.db2.gz COVBNSYOGCKUKQ-KRWDZBQOSA-N 1 1 314.360 2.871 50 30 DFEAMO C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C/C=C\c1ccccc1 ZINC000255583492 146233379 /nfs/dbraw/zinc/23/33/79/146233379.db2.gz VBTLFMPLKSDVBL-SBSDFTTDSA-N 1 1 319.412 2.572 50 30 DFEAMO C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C/C=C\c1ccccc1 ZINC000255583492 146233382 /nfs/dbraw/zinc/23/33/82/146233382.db2.gz VBTLFMPLKSDVBL-SBSDFTTDSA-N 1 1 319.412 2.572 50 30 DFEAMO C=C(C)COc1cccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000055099989 425891991 /nfs/dbraw/zinc/89/19/91/425891991.db2.gz NGFCZGYOPVDCLL-MRXNPFEDSA-N 1 1 300.402 2.562 50 30 DFEAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cc(C#CCO)cs2)c1 ZINC000055120581 425892149 /nfs/dbraw/zinc/89/21/49/425892149.db2.gz AQZFUCVNSDBURH-OAHLLOKOSA-N 1 1 314.454 2.858 50 30 DFEAMO C=C(C)COc1cccc(C[NH2+][C@H](COC)c2ccnn2C)c1 ZINC000055090581 425892113 /nfs/dbraw/zinc/89/21/13/425892113.db2.gz PRXRJWXXHKFQSZ-QGZVFWFLSA-N 1 1 315.417 2.852 50 30 DFEAMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000067895790 425914577 /nfs/dbraw/zinc/91/45/77/425914577.db2.gz FIIPDOGKTKJKSD-INIZCTEOSA-N 1 1 321.509 2.511 50 30 DFEAMO CC(C)C[NH+](CC#C[C@H](CO)NCc1ccccc1)CC(C)C ZINC000002199444 425590318 /nfs/dbraw/zinc/59/03/18/425590318.db2.gz POXNNRIKOHTPIC-HXUWFJFHSA-N 1 1 316.489 2.755 50 30 DFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCOc1ccccc1 ZINC000007419191 425644007 /nfs/dbraw/zinc/64/40/07/425644007.db2.gz FDWNMXOBEIQLLA-OAHLLOKOSA-N 1 1 323.396 2.896 50 30 DFEAMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCOc1ccccc1 ZINC000007419191 425644008 /nfs/dbraw/zinc/64/40/08/425644008.db2.gz FDWNMXOBEIQLLA-OAHLLOKOSA-N 1 1 323.396 2.896 50 30 DFEAMO [NH2+]=C(NOC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000005025897 425624123 /nfs/dbraw/zinc/62/41/23/425624123.db2.gz AQJMLUKDEGQQSR-UHFFFAOYSA-N 1 1 319.704 2.726 50 30 DFEAMO N#Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000012930770 425741928 /nfs/dbraw/zinc/74/19/28/425741928.db2.gz TYGPEUMODJCTEC-GOSISDBHSA-N 1 1 305.381 2.563 50 30 DFEAMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(F)cc1 ZINC000026329552 425810202 /nfs/dbraw/zinc/81/02/02/425810202.db2.gz VLYIZLWANWWIMU-QGZVFWFLSA-N 1 1 314.360 2.569 50 30 DFEAMO C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)C1CC1 ZINC000071907883 426002902 /nfs/dbraw/zinc/00/29/02/426002902.db2.gz WZXLPWQZTWHDFC-MSOLQXFVSA-N 1 1 301.434 2.617 50 30 DFEAMO Cn1cc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)cn1 ZINC000069740433 425955789 /nfs/dbraw/zinc/95/57/89/425955789.db2.gz PVXUFLQMGSFZIH-GOSISDBHSA-N 1 1 310.401 2.898 50 30 DFEAMO CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(CC#N)c1 ZINC000069899320 425963304 /nfs/dbraw/zinc/96/33/04/425963304.db2.gz ZZSVVAPLSOEUIW-MSOLQXFVSA-N 1 1 311.429 2.842 50 30 DFEAMO C=CCOC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)[C@H](C)CC ZINC000104973477 425966951 /nfs/dbraw/zinc/96/69/51/425966951.db2.gz SOXZURMCMMSCKM-NVXWUHKLSA-N 1 1 307.434 2.859 50 30 DFEAMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ncccc1C#N ZINC000075140124 426065332 /nfs/dbraw/zinc/06/53/32/426065332.db2.gz XGGQGEOVFNGGCF-YOEHRIQHSA-N 1 1 307.401 2.671 50 30 DFEAMO Cn1cc(C#N)cc1C(=O)OC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000089754980 426306047 /nfs/dbraw/zinc/30/60/47/426306047.db2.gz SETXLLFBIPPWRI-MRXNPFEDSA-N 1 1 323.396 2.576 50 30 DFEAMO Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000090004097 426324085 /nfs/dbraw/zinc/32/40/85/426324085.db2.gz VAVJYSFHDZNLDT-CQSZACIVSA-N 1 1 312.392 2.886 50 30 DFEAMO C=CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC)cc2F)C1 ZINC000096139436 426401075 /nfs/dbraw/zinc/40/10/75/426401075.db2.gz CBGQSLOPUARXMD-CYBMUJFWSA-N 1 1 321.396 2.854 50 30 DFEAMO C#CC[N@@H+](CC(=O)NC1(C#N)CCCC1)[C@H]1CCc2ccccc21 ZINC000096308898 426413281 /nfs/dbraw/zinc/41/32/81/426413281.db2.gz YQODQKIOGXISAJ-SFHVURJKSA-N 1 1 321.424 2.562 50 30 DFEAMO C#CC[N@H+](CC(=O)NC1(C#N)CCCC1)[C@H]1CCc2ccccc21 ZINC000096308898 426413283 /nfs/dbraw/zinc/41/32/83/426413283.db2.gz YQODQKIOGXISAJ-SFHVURJKSA-N 1 1 321.424 2.562 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)c(Br)c1 ZINC000097047177 426442870 /nfs/dbraw/zinc/44/28/70/426442870.db2.gz YEROQKBBLDTBOJ-CYBMUJFWSA-N 1 1 309.207 2.668 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c(Br)c1 ZINC000097047177 426442873 /nfs/dbraw/zinc/44/28/73/426442873.db2.gz YEROQKBBLDTBOJ-CYBMUJFWSA-N 1 1 309.207 2.668 50 30 DFEAMO N#Cc1ccccc1C(=O)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000222656524 426584011 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CC(C)(C)c1cc(C=NNC2=[NH+]CCN2)c(O)c(C(C)(C)C)c1 ZINC000225438335 426602052 /nfs/dbraw/zinc/60/20/52/426602052.db2.gz IRZNKFYTWUJPHA-SRZZPIQSSA-N 1 1 316.449 2.870 50 30 DFEAMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000241644535 426717615 /nfs/dbraw/zinc/71/76/15/426717615.db2.gz PRNWPQPDKWEYGS-ZJPYXAASSA-N 1 1 314.429 2.529 50 30 DFEAMO CNC(NC[C@@H]1CCCN(C)[C@H]1c1cccc(Cl)c1)=[NH+]C ZINC000252510413 427185549 /nfs/dbraw/zinc/18/55/49/427185549.db2.gz ZJQXEZPWVXGFFM-ZFWWWQNUSA-N 1 1 308.857 2.518 50 30 DFEAMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1c(F)cc(C#N)cc1F ZINC000253429447 427211024 /nfs/dbraw/zinc/21/10/24/427211024.db2.gz HEGLWYYDVRDJOO-GFCCVEGCSA-N 1 1 321.371 2.526 50 30 DFEAMO C=CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2F)C[C@H]1C ZINC000299768477 427767633 /nfs/dbraw/zinc/76/76/33/427767633.db2.gz JOEWRJJAIMJTBF-CHWSQXEVSA-N 1 1 316.380 2.810 50 30 DFEAMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2F)C[C@H]1C ZINC000299768477 427767637 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C=CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000008991304 425679022 /nfs/dbraw/zinc/67/90/22/425679022.db2.gz VOEYDHVTZWDNBA-MRXNPFEDSA-N 1 1 314.385 2.877 50 30 DFEAMO Cc1cc(N2CCC[N@H+](C)CC2)n2c3ccccc3nc2c1C#N ZINC000024986919 425800489 /nfs/dbraw/zinc/80/04/89/425800489.db2.gz QWUOJUGIWYTFDT-UHFFFAOYSA-N 1 1 319.412 2.810 50 30 DFEAMO C[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#CCO)cc1 ZINC000071524418 425987000 /nfs/dbraw/zinc/98/70/00/425987000.db2.gz QPLXPACXILOPGQ-SFHVURJKSA-N 1 1 320.436 2.741 50 30 DFEAMO CCc1ncc2c(n1)C[N@@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC000070038603 425967123 /nfs/dbraw/zinc/96/71/23/425967123.db2.gz GUBZNCKDAUGVLE-UHFFFAOYSA-N 1 1 322.412 2.738 50 30 DFEAMO CCc1ncc2c(n1)C[N@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC000070038603 425967126 /nfs/dbraw/zinc/96/71/26/425967126.db2.gz GUBZNCKDAUGVLE-UHFFFAOYSA-N 1 1 322.412 2.738 50 30 DFEAMO C[C@H]1CN(CCCNC(=[NH2+])Nc2ccccc2Cl)C[C@H](C)O1 ZINC000072272419 426011931 /nfs/dbraw/zinc/01/19/31/426011931.db2.gz CKMJIAPWUHZHLN-STQMWFEESA-N 1 1 324.856 2.566 50 30 DFEAMO CC[C@H]1CC[C@@H](C)[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000095459148 426373843 /nfs/dbraw/zinc/37/38/43/426373843.db2.gz ZXBRRZGFCMLIDO-HIFRSBDPSA-N 1 1 306.431 2.595 50 30 DFEAMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc2c(c1)OCO2 ZINC000095982336 426382719 /nfs/dbraw/zinc/38/27/19/426382719.db2.gz LJMVHEHWYSTEKH-UHFFFAOYSA-N 1 1 320.352 2.567 50 30 DFEAMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc2c(c1)OCO2 ZINC000095982336 426382721 /nfs/dbraw/zinc/38/27/21/426382721.db2.gz LJMVHEHWYSTEKH-UHFFFAOYSA-N 1 1 320.352 2.567 50 30 DFEAMO Cn1cc(C[N@H+]2CCC[C@@H](CCO)C2)c(-c2ccc(C#N)cc2)n1 ZINC000095995506 426386493 /nfs/dbraw/zinc/38/64/93/426386493.db2.gz OMABYVKMPGEQAZ-INIZCTEOSA-N 1 1 324.428 2.553 50 30 DFEAMO C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000096496434 426436533 /nfs/dbraw/zinc/43/65/33/426436533.db2.gz IVZCBADXBDQNET-DGCLKSJQSA-N 1 1 323.234 2.914 50 30 DFEAMO C#CC[N@H+](Cc1cnc2cnccn12)[C@H]1CCc2ccccc21 ZINC000097032508 426439948 /nfs/dbraw/zinc/43/99/48/426439948.db2.gz OXRYIQMWGNKJDX-SFHVURJKSA-N 1 1 302.381 2.852 50 30 DFEAMO C#CC[N@@H+](Cc1cnc2cnccn12)[C@H]1CCc2ccccc21 ZINC000097032508 426439951 /nfs/dbraw/zinc/43/99/51/426439951.db2.gz OXRYIQMWGNKJDX-SFHVURJKSA-N 1 1 302.381 2.852 50 30 DFEAMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1O ZINC000097047189 426443019 /nfs/dbraw/zinc/44/30/19/426443019.db2.gz BEPAIRKYMZJESS-HZMBPMFUSA-N 1 1 309.207 2.523 50 30 DFEAMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1O ZINC000097047189 426443023 /nfs/dbraw/zinc/44/30/23/426443023.db2.gz BEPAIRKYMZJESS-HZMBPMFUSA-N 1 1 309.207 2.523 50 30 DFEAMO CC(C)Oc1ccc(NC(=O)N2CCC[N@@H+](C)CC2)cc1C#N ZINC000097052264 426444370 /nfs/dbraw/zinc/44/43/70/426444370.db2.gz OIGLIQFXJYDGSG-UHFFFAOYSA-N 1 1 316.405 2.515 50 30 DFEAMO C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000241644534 426717043 /nfs/dbraw/zinc/71/70/43/426717043.db2.gz PRNWPQPDKWEYGS-XMTFNYHQSA-N 1 1 314.429 2.529 50 30 DFEAMO CC[NH+]1CCN(C[C@H](C)CNc2c(F)cc(C#N)cc2F)CC1 ZINC000189447843 426859326 /nfs/dbraw/zinc/85/93/26/426859326.db2.gz JBCDJKYPHXNRLC-CYBMUJFWSA-N 1 1 322.403 2.522 50 30 DFEAMO Cc1cc(C=NN2CC[NH+](C)CC2)c(C)n1-c1ccccc1F ZINC000254791750 427225764 /nfs/dbraw/zinc/22/57/64/427225764.db2.gz UORFQVMIRNYDGD-UHFFFAOYSA-N 1 1 314.408 2.815 50 30 DFEAMO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000332081811 427505030 /nfs/dbraw/zinc/50/50/30/427505030.db2.gz MZHHCIPVPLEDOU-GFCCVEGCSA-N 1 1 302.765 2.893 50 30 DFEAMO Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000332081811 427505036 /nfs/dbraw/zinc/50/50/36/427505036.db2.gz MZHHCIPVPLEDOU-GFCCVEGCSA-N 1 1 302.765 2.893 50 30 DFEAMO CCc1cc(C#N)ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000299777877 427769614 /nfs/dbraw/zinc/76/96/14/427769614.db2.gz FWKKIIHLCXUPFW-OAHLLOKOSA-N 1 1 300.406 2.726 50 30 DFEAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000108119157 277182107 /nfs/dbraw/zinc/18/21/07/277182107.db2.gz 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ZINC000026161271 519031474 /nfs/dbraw/zinc/03/14/74/519031474.db2.gz WCSSDEAHRWKRJR-GOSISDBHSA-N 1 1 310.397 2.910 50 30 DFEAMO C=CCc1cc(OC)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000020117965 519132121 /nfs/dbraw/zinc/13/21/21/519132121.db2.gz HGBXYVUPRLFRCB-UHFFFAOYSA-N 1 1 318.461 2.830 50 30 DFEAMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nc3ccccn3c2C#N)C1 ZINC000302123905 529760901 /nfs/dbraw/zinc/76/09/01/529760901.db2.gz YXMDLTZYALOGJW-CQSZACIVSA-N 1 1 320.400 2.806 50 30 DFEAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000072144710 191052089 /nfs/dbraw/zinc/05/20/89/191052089.db2.gz VRJICRHBJSCGEW-SFHVURJKSA-N 1 1 321.428 2.839 50 30 DFEAMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281574253 216393624 /nfs/dbraw/zinc/39/36/24/216393624.db2.gz ZGEMUOAQINGELQ-KSZLIROESA-N 1 1 314.429 2.953 50 30 DFEAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000006703788 181375250 /nfs/dbraw/zinc/37/52/50/181375250.db2.gz AESJBTKAGMGRMF-INIZCTEOSA-N 1 1 316.401 2.602 50 30 DFEAMO C#CC1(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000016661495 182056835 /nfs/dbraw/zinc/05/68/35/182056835.db2.gz FRYYIUSEEMVLRI-IBGZPJMESA-N 1 1 313.441 2.758 50 30 DFEAMO COc1ccc(C(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000018172984 182095623 /nfs/dbraw/zinc/09/56/23/182095623.db2.gz JCODIOPPRDUNST-UHFFFAOYSA-N 1 1 304.733 2.826 50 30 DFEAMO Cc1occc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451080 182361697 /nfs/dbraw/zinc/36/16/97/182361697.db2.gz WFFDSHDSJYNGRW-UHFFFAOYSA-N 1 1 323.396 2.808 50 30 DFEAMO Cc1occc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000023451080 182361699 /nfs/dbraw/zinc/36/16/99/182361699.db2.gz WFFDSHDSJYNGRW-UHFFFAOYSA-N 1 1 323.396 2.808 50 30 DFEAMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C#N)c2)C1 ZINC000067562671 184473312 /nfs/dbraw/zinc/47/33/12/184473312.db2.gz OBUCNUSTKPFUIJ-HNNXBMFYSA-N 1 1 300.406 2.800 50 30 DFEAMO C[C@@](C#N)(NC(=O)C[N@H+](Cc1ccco1)C1CCCC1)C1CC1 ZINC000052077044 542446794 /nfs/dbraw/zinc/44/67/94/542446794.db2.gz 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ZINC000055324954 425892980 /nfs/dbraw/zinc/89/29/80/425892980.db2.gz ZDKHVYACPKKVGP-UHFFFAOYSA-N 1 1 314.433 2.546 50 30 DFEAMO C=CCn1cc(C[N@@H+](Cc2ccccn2)C(C)(C)CO)c(C)n1 ZINC000055324954 425892981 /nfs/dbraw/zinc/89/29/81/425892981.db2.gz ZDKHVYACPKKVGP-UHFFFAOYSA-N 1 1 314.433 2.546 50 30 DFEAMO C=C(C)CNc1ccc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000012439091 425727375 /nfs/dbraw/zinc/72/73/75/425727375.db2.gz GWKXFYKIIMXZHC-INIZCTEOSA-N 1 1 316.449 2.674 50 30 DFEAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2ccccc2C#N)C1 ZINC000016489865 425786403 /nfs/dbraw/zinc/78/64/03/425786403.db2.gz KAJHVTMHFKBSBM-INIZCTEOSA-N 1 1 316.401 2.602 50 30 DFEAMO Cc1ccccc1NC(=S)C(=NNC(N)=[NH2+])c1ccccc1 ZINC000013406995 425754139 /nfs/dbraw/zinc/75/41/39/425754139.db2.gz TXUIRNMHNVRWDP-ZHZULCJRSA-N 1 1 311.414 2.622 50 30 DFEAMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000028842526 425823497 /nfs/dbraw/zinc/82/34/97/425823497.db2.gz DEWONHDTDRWEAV-UHFFFAOYSA-N 1 1 305.381 2.945 50 30 DFEAMO N#Cc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000029838675 425829799 /nfs/dbraw/zinc/82/97/99/425829799.db2.gz LZKQTONRJRTDLZ-UHFFFAOYSA-N 1 1 319.408 2.736 50 30 DFEAMO C=CCC[C@H](O)C[N@H+](CCCOC)Cc1ccc(OC)cc1 ZINC000036095227 425844848 /nfs/dbraw/zinc/84/48/48/425844848.db2.gz PJYDREJVUNFCEQ-KRWDZBQOSA-N 1 1 307.434 2.861 50 30 DFEAMO N#Cc1nc(C2CC2)oc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000047461889 425869822 /nfs/dbraw/zinc/86/98/22/425869822.db2.gz UTHZMCTYDZIWCM-UHFFFAOYSA-N 1 1 322.412 2.788 50 30 DFEAMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000107364651 425989779 /nfs/dbraw/zinc/98/97/79/425989779.db2.gz LWACFSUHZIFVMQ-YOEHRIQHSA-N 1 1 314.433 2.947 50 30 DFEAMO C[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000071842066 425994203 /nfs/dbraw/zinc/99/42/03/425994203.db2.gz WIVIYJUEPVCYQT-AWEZNQCLSA-N 1 1 310.401 2.542 50 30 DFEAMO C[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000071842066 425994206 /nfs/dbraw/zinc/99/42/06/425994206.db2.gz 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N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000239425937 426713138 /nfs/dbraw/zinc/71/31/38/426713138.db2.gz VMRNUWXISBAWNP-ZHALLVOQSA-N 1 1 314.429 2.953 50 30 DFEAMO COc1ccc(C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1C#N ZINC000344891582 272383297 /nfs/dbraw/zinc/38/32/97/272383297.db2.gz UITQGTPGMBTTSX-AWEZNQCLSA-N 1 1 324.384 2.817 50 30 DFEAMO C=CCOC[C@@H](O)C[N@H+](Cc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036095022 518988315 /nfs/dbraw/zinc/98/83/15/518988315.db2.gz DOBMHIFGDNBWJQ-OALUTQOASA-N 1 1 319.445 2.540 50 30 DFEAMO C=CCc1cc(OC)ccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167918 519132755 /nfs/dbraw/zinc/13/27/55/519132755.db2.gz LFLVRTYNIBGBPU-HUUCEWRRSA-N 1 1 305.418 2.912 50 30 DFEAMO CCCCCCCc1c(O)nc(SCC[NH+](C)C)[nH]c1=O ZINC000017527442 520069619 /nfs/dbraw/zinc/06/96/19/520069619.db2.gz OJTBXBHJBYZDIZ-UHFFFAOYSA-N 1 1 313.467 2.642 50 30 DFEAMO Cc1ccc(C(=O)ONC(=[NH2+])Cc2cccs2)cc1[N+](=O)[O-] ZINC000008553243 526238749 /nfs/dbraw/zinc/23/87/49/526238749.db2.gz 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/nfs/dbraw/zinc/03/73/09/181037309.db2.gz LIMYLPNIOCOQQR-UHFFFAOYSA-N 1 1 309.369 2.637 50 30 DFEAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000003584132 181037311 /nfs/dbraw/zinc/03/73/11/181037311.db2.gz LIMYLPNIOCOQQR-UHFFFAOYSA-N 1 1 309.369 2.637 50 30 DFEAMO N#Cc1cc2c(nc1N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCCC2 ZINC000077555535 283116029 /nfs/dbraw/zinc/11/60/29/283116029.db2.gz RAPPDCBABQGPMR-CQSZACIVSA-N 1 1 307.401 2.939 50 30 DFEAMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC000023451084 182361494 /nfs/dbraw/zinc/36/14/94/182361494.db2.gz AZZSLVVQJJMEFN-QGZVFWFLSA-N 1 1 323.440 2.949 50 30 DFEAMO C[C@@H]1C[N@H+](CCCCNc2ncc(C#N)cc2Cl)C[C@H](C)O1 ZINC000267966263 206364893 /nfs/dbraw/zinc/36/48/93/206364893.db2.gz UVYQGKVPWLUSPU-BETUJISGSA-N 1 1 322.840 2.908 50 30 DFEAMO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000106632894 194239393 /nfs/dbraw/zinc/23/93/93/194239393.db2.gz GFSBHAKNBLJFIT-RBUKOAKNSA-N 1 1 322.408 2.787 50 30 DFEAMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)s1 ZINC000119851689 195049290 /nfs/dbraw/zinc/04/92/90/195049290.db2.gz XRLVSTQOJDVHSW-LBPRGKRZSA-N 1 1 313.430 2.537 50 30 DFEAMO Cc1c(C(=O)C=Cc2ccccc2)[n+](=O)c2ccccc2n1O ZINC000106120919 257261388 /nfs/dbraw/zinc/26/13/88/257261388.db2.gz LDDSKWFBAFJHJV-VAWYXSNFSA-N 1 1 307.329 2.998 50 30 DFEAMO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155325 257262250 /nfs/dbraw/zinc/26/22/50/257262250.db2.gz ZLJPOYYDNNYJKB-INIZCTEOSA-N 1 1 315.461 2.799 50 30 DFEAMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000029155325 257262252 /nfs/dbraw/zinc/26/22/52/257262252.db2.gz ZLJPOYYDNNYJKB-INIZCTEOSA-N 1 1 315.461 2.799 50 30 DFEAMO C=CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000047605755 257262905 /nfs/dbraw/zinc/26/29/05/257262905.db2.gz IXLBLVWOWBQOSM-OAHLLOKOSA-N 1 1 301.434 2.904 50 30 DFEAMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000328631461 257263043 /nfs/dbraw/zinc/26/30/43/257263043.db2.gz 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425900297 /nfs/dbraw/zinc/90/02/97/425900297.db2.gz WQKNBMIUPYNYPW-UHFFFAOYSA-N 1 1 305.381 2.693 50 30 DFEAMO [NH2+]=C(NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000005042367 425623564 /nfs/dbraw/zinc/62/35/64/425623564.db2.gz RNSCOCNPVIVICC-UHFFFAOYSA-N 1 1 319.704 2.726 50 30 DFEAMO COc1ccc(C(=O)C=CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000013959805 425764313 /nfs/dbraw/zinc/76/43/13/425764313.db2.gz RBTMWDGMXBNKRG-MWWDJEQSSA-N 1 1 300.402 2.606 50 30 DFEAMO C=CC[N@H+](CC(=O)NCCOc1cccc(C)c1)C1CCCC1 ZINC000048326579 425874712 /nfs/dbraw/zinc/87/47/12/425874712.db2.gz CLVXFVHMGWMROA-UHFFFAOYSA-N 1 1 316.445 2.921 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000069564502 425946121 /nfs/dbraw/zinc/94/61/21/425946121.db2.gz SGROOZTXYBXTHI-KRWDZBQOSA-N 1 1 313.380 2.570 50 30 DFEAMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)n1 ZINC000069564502 425946124 /nfs/dbraw/zinc/94/61/24/425946124.db2.gz SGROOZTXYBXTHI-KRWDZBQOSA-N 1 1 313.380 2.570 50 30 DFEAMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000069920246 425962660 /nfs/dbraw/zinc/96/26/60/425962660.db2.gz MLJLQACAJZVTMC-ROUUACIJSA-N 1 1 315.392 2.673 50 30 DFEAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000069920243 425962724 /nfs/dbraw/zinc/96/27/24/425962724.db2.gz MLJLQACAJZVTMC-ZWKOTPCHSA-N 1 1 315.392 2.673 50 30 DFEAMO COc1cc(C#N)ccc1OCC[N@H+](C)C1CCC(OC)CC1 ZINC000077316354 426126498 /nfs/dbraw/zinc/12/64/98/426126498.db2.gz HBDIBIOOAWICMQ-UHFFFAOYSA-N 1 1 318.417 2.835 50 30 DFEAMO N#Cc1ccncc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000170614935 426140027 /nfs/dbraw/zinc/14/00/27/426140027.db2.gz IZOPXMLSFASPMT-GOSISDBHSA-N 1 1 322.412 2.522 50 30 DFEAMO CN(C)c1cccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000089922534 426318068 /nfs/dbraw/zinc/31/80/68/426318068.db2.gz QMMBGEXHCDJZSI-LJQANCHMSA-N 1 1 309.413 2.790 50 30 DFEAMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000090004114 426323939 /nfs/dbraw/zinc/32/39/39/426323939.db2.gz LRIICVMZGFRQKH-AWEZNQCLSA-N 1 1 312.392 2.886 50 30 DFEAMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000090004114 426323941 /nfs/dbraw/zinc/32/39/41/426323941.db2.gz LRIICVMZGFRQKH-AWEZNQCLSA-N 1 1 312.392 2.886 50 30 DFEAMO C=CC[NH+]1CCC(NCc2cnc(C)n2-c2ccccc2)CC1 ZINC000096460025 426431300 /nfs/dbraw/zinc/43/13/00/426431300.db2.gz SGYXCWHAYPFAHK-UHFFFAOYSA-N 1 1 310.445 2.921 50 30 DFEAMO Cc1ccc(NC[C@H]2CCN(c3nnc(C)c(C)c3C#N)C2)[nH+]c1 ZINC000097200964 426459218 /nfs/dbraw/zinc/45/92/18/426459218.db2.gz CIJMIMSSQHWFNH-OAHLLOKOSA-N 1 1 322.416 2.607 50 30 DFEAMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179706106 426813854 /nfs/dbraw/zinc/81/38/54/426813854.db2.gz NOCWOGPLHXCTPZ-QGZVFWFLSA-N 1 1 305.385 2.882 50 30 DFEAMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179706106 426813859 /nfs/dbraw/zinc/81/38/59/426813859.db2.gz NOCWOGPLHXCTPZ-QGZVFWFLSA-N 1 1 305.385 2.882 50 30 DFEAMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179706094 426815672 /nfs/dbraw/zinc/81/56/72/426815672.db2.gz NOCWOGPLHXCTPZ-KRWDZBQOSA-N 1 1 305.385 2.882 50 30 DFEAMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179706094 426815677 /nfs/dbraw/zinc/81/56/77/426815677.db2.gz NOCWOGPLHXCTPZ-KRWDZBQOSA-N 1 1 305.385 2.882 50 30 DFEAMO CC[NH+]1CCN(C[C@@H](C)CNc2c(F)cc(C#N)cc2F)CC1 ZINC000189447823 426858929 /nfs/dbraw/zinc/85/89/29/426858929.db2.gz JBCDJKYPHXNRLC-ZDUSSCGKSA-N 1 1 322.403 2.522 50 30 DFEAMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cn2)CC1 ZINC000275720974 426904655 /nfs/dbraw/zinc/90/46/55/426904655.db2.gz OHZLPBSTXGXKCT-GOSISDBHSA-N 1 1 321.428 2.839 50 30 DFEAMO Cc1cc(N2CCCN(c3ccccc3C#N)CC2)nc(C)[nH+]1 ZINC000052189472 278709147 /nfs/dbraw/zinc/70/91/47/278709147.db2.gz SBYVVBGHBVECSC-UHFFFAOYSA-N 1 1 307.401 2.682 50 30 DFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1C)[C@H](C)CC ZINC000036098939 518302909 /nfs/dbraw/zinc/30/29/09/518302909.db2.gz VWTHCGWRMRWKSY-MJGOQNOKSA-N 1 1 303.446 2.915 50 30 DFEAMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000027350907 519032078 /nfs/dbraw/zinc/03/20/78/519032078.db2.gz GDFVJRDKWKRJHB-UHFFFAOYSA-N 1 1 310.397 2.982 50 30 DFEAMO C=CCOc1ccccc1OCCCCN1CC[NH+](C)CC1 ZINC000020653392 519072718 /nfs/dbraw/zinc/07/27/18/519072718.db2.gz RREMPMPIPBWGGH-UHFFFAOYSA-N 1 1 304.434 2.658 50 30 DFEAMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCc1ccccc1 ZINC000036395407 519828896 /nfs/dbraw/zinc/82/88/96/519828896.db2.gz STZGZOMLPLBDSN-SFHVURJKSA-N 1 1 301.434 2.605 50 30 DFEAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000082138139 521115754 /nfs/dbraw/zinc/11/57/54/521115754.db2.gz RQFXBLKOZZKCOT-CQSZACIVSA-N 1 1 304.390 2.940 50 30 DFEAMO C[NH+](C)[C@H](CNC(=S)NCc1ccccc1)c1cccnc1 ZINC000071931011 522070206 /nfs/dbraw/zinc/07/02/06/522070206.db2.gz PVIHZUNHUZYGDN-MRXNPFEDSA-N 1 1 314.458 2.760 50 30 DFEAMO N#CCCn1cc(CNCC[NH+]2CCCC2)c(-c2ccccc2)n1 ZINC000022925198 526467727 /nfs/dbraw/zinc/46/77/27/526467727.db2.gz HYNAEJYJOAKEEI-UHFFFAOYSA-N 1 1 323.444 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ZINC000178831542 426703117 /nfs/dbraw/zinc/70/31/17/426703117.db2.gz YWAUGZVDNBXXEH-UHFFFAOYSA-N 1 1 305.397 2.728 50 30 DFEAMO CC(=O)N(C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F)C1CC1 ZINC000275735559 426909341 /nfs/dbraw/zinc/90/93/41/426909341.db2.gz PHQSZMIUPUBACS-QGZVFWFLSA-N 1 1 315.392 2.673 50 30 DFEAMO CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000249687687 427138540 /nfs/dbraw/zinc/13/85/40/427138540.db2.gz HNGXHOJJHNKIRU-JKSUJKDBSA-N 1 1 303.450 2.936 50 30 DFEAMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000345786254 427906479 /nfs/dbraw/zinc/90/64/79/427906479.db2.gz CGOGDGOWLVNLMM-CGTJXYLNSA-N 1 1 318.392 2.713 50 30 DFEAMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000345786254 427906485 /nfs/dbraw/zinc/90/64/85/427906485.db2.gz CGOGDGOWLVNLMM-CGTJXYLNSA-N 1 1 318.392 2.713 50 30 DFEAMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000089340310 332066717 /nfs/dbraw/zinc/06/67/17/332066717.db2.gz YGSPKDLYMKTCNC-MRXNPFEDSA-N 1 1 303.381 2.725 50 30 DFEAMO C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1 ZINC000036100776 518296657 /nfs/dbraw/zinc/29/66/57/518296657.db2.gz QZJPUEOHDOYBCB-IBGZPJMESA-N 1 1 303.446 2.854 50 30 DFEAMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000036098694 518305290 /nfs/dbraw/zinc/30/52/90/518305290.db2.gz FMZMIEXWMHNVGR-SFHVURJKSA-N 1 1 313.397 2.601 50 30 DFEAMO C=C(Cl)C[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000095406277 518649459 /nfs/dbraw/zinc/64/94/59/518649459.db2.gz IDKDRFDDUHPQFB-UHFFFAOYSA-N 1 1 322.836 2.776 50 30 DFEAMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000069897524 518661165 /nfs/dbraw/zinc/66/11/65/518661165.db2.gz BWRZBHWTYMEOBE-MRXNPFEDSA-N 1 1 315.417 2.560 50 30 DFEAMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000069897524 518661176 /nfs/dbraw/zinc/66/11/76/518661176.db2.gz BWRZBHWTYMEOBE-MRXNPFEDSA-N 1 1 315.417 2.560 50 30 DFEAMO C=CCn1cc(C[NH2+][C@@H](C)c2cn3ccsc3n2)c(C)n1 ZINC000055326428 519283363 /nfs/dbraw/zinc/28/33/63/519283363.db2.gz GWPUOVDAZIAYOF-LBPRGKRZSA-N 1 1 301.419 2.938 50 30 DFEAMO C=CCn1cc(C[NH2+][C@H](C)c2cn3ccsc3n2)c(C)n1 ZINC000055326431 519283438 /nfs/dbraw/zinc/28/34/38/519283438.db2.gz GWPUOVDAZIAYOF-GFCCVEGCSA-N 1 1 301.419 2.938 50 30 DFEAMO [NH2+]=C(NOC(=O)[C@H]1CCCS1)c1ccc(C(F)(F)F)cc1 ZINC000004394533 526808955 /nfs/dbraw/zinc/80/89/55/526808955.db2.gz ZJHXHIKAHCQSRE-SNVBAGLBSA-N 1 1 318.320 2.765 50 30 DFEAMO